330 °C/ temperatures"},"Color And Form":{Value:"White crystalline solid"},Density:{Value:"1.75 deg 25 °C/4 °C 9 (anhydride); 1.66 at 25 °C/4 °C (dihydrate)"},"Melting Point":{Value:"360 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH of saturated aqueous solution @ room temperature = 4.8"},Solubility:{Value:"Slightly soluble in common organic solvents such as acetone, benzene, diethyl ether, ethanol, hexane. Solubility (%): dimethylformamide 7.2; diemthyl sulfoxide 17.4."},Taste:{Value:"Slightly bitter"},Uses:{Value:"For cyanuric acid (USEPA/OPP Pesticide Code: 81402) 0 ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"4.41X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C3H3N3O3"},7961:{PUBCHEM:{CID:"7961","Compound Complexity":46.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bromobenzene","IUPAC Name CAS-like Style":"Bromobenzene","IUPAC Name Markup":"Bromobenzene","IUPAC Name Preferred":"Bromobenzene","IUPAC Name Systematic":"Bromanylbenzene","IUPAC Name Traditional":"Bromobenzene",InChI:"1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H",InChIKey:"QARVLSVVCXYDNA-UHFFFAOYSA-N","Log P":3,"Exact Mass":155.95746,"Molecular Formula":"C6H5Br","Molecular Weight":157.01,"Monoisotopic Mass":155.95746,Charge:0,"Easy Name":"Bromobenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"156.2 °C @ 760 MM HG"},"Color And Form":{Value:"MOBILE LIQUID"},"Critical Temperature And Pressure":{Value:"CRITICAL TEMP 397 °C; CRITICAL PRESSURE 33,912 MM HG (44.6 ATM)"},Density:{Value:"@ 10 °C/4 °C: 1.5083; @ 15 °C/4 °C: 1.5017; @ 20 °C/4 °C: 1.4952; @ 30 °C/4 °C: 1.4815; @ 71 °C/4 °C: 1.426; @ 0 °C/4 °C: 1.5220"},"Heat Of Vaporization":{Value:"44.5 kJ/mol @ 25 °C"},"Melting Point":{Value:"-30.6 °C (SOLIDIFIES)"},"NFPA Hazard Classification":{Value:"2-2-0"},Odor:{Value:"AROMATIC ODOR"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.565 @ 15 °C/D; 1.5602 @ 20 °C/D"},Solubility:{Value:"MISCIBLE WITH CHLOROFORM, BENZENE, PETROLEUM HYDROCARBONS; SOL IN ALCOHOL (10.4 G/100 G @ 25 °C), IN ETHER (71.3 G/100 G @ 25 °C); PRACTICALLY INOL IN WATER (0.045 G/100 G @ 30 °C)"},Uses:{Value:"IN ORG SYNTHESIS, ESP TO MAKE PHENYL MAGNESIUM BROMIDE; AS ADDITIVE TO MOTOR OILS; AS SOLVENT, ESP FOR CRYSTALLIZATIONS ON A LARGE SCALE & WHERE A HEAVY LIQ IS DESIRABLE"},"Vapor Density":{Value:"5.41 (AIR= 1)"},"Vapor Pressure":{Value:"4.18 MM HG @ 25 °C"},Viscosity:{Value:"1.124 CP @ 20 °C"}},ReducedFormula:"Br1C6H5"},7963:{PUBCHEM:{CID:"7963","Compound Complexity":46.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"4-methylpyridine","IUPAC Name CAS-like Style":"4-methylpyridine","IUPAC Name Markup":"4-methylpyridine","IUPAC Name Preferred":"4-methylpyridine","IUPAC Name Systematic":"4-methylpyridine","IUPAC Name Traditional":"Gamma-picoline",InChI:"1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3",InChIKey:"FKNQCJSGGFJEIZ-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":93.05784923,"Molecular Formula":"C6H7N","Molecular Weight":93.13,"Monoisotopic Mass":93.05784923,Charge:0,"Easy Name":"4-Methylpyridine","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"145 °C at 760 mm Hg"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 645.8 K; critical pressure: 4.68 MPa"},Density:{Value:"0.9548 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"37.51 kJ/mol at 145.36 °C; 44.56 kJ/mol at 25 °C"},"Melting Point":{Value:"3.68 °C"},"NFPA Hazard Classification":{Value:"3-2-0"},Odor:{Value:"Obnoxious, sweetish odor"},"Refractive Index":{Value:"Index of refraction: 1.5037at 20 °C/D"},Solubility:{Value:"Miscible with water at 20 °C"},Uses:{Value:"Manufacture of isonicotinic acid and derivatives. In waterproofing agents for fabrics. As solvent for resins."},"Vapor Density":{Value:"3.2 (Air = 1)"},"Vapor Pressure":{Value:"5.77 mm Hg at 25 °C"}},ReducedFormula:"C6H7N1"},7964:{PUBCHEM:{CID:"7964","Compound Complexity":46.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chlorobenzene","IUPAC Name CAS-like Style":"Chlorobenzene","IUPAC Name Markup":"Chlorobenzene","IUPAC Name Preferred":"Chlorobenzene","IUPAC Name Systematic":"Chloranylbenzene","IUPAC Name Traditional":"Chlorobenzene",InChI:"1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H",InChIKey:"MVPPADPHJFYWMZ-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":112.0079779,"Molecular Formula":"C6H5Cl","Molecular Weight":112.55,"Monoisotopic Mass":112.0079779,Charge:0,"Easy Name":"Chlorobenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"131.6 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 632 K; critical pressure: 4.5 MPa"},Density:{Value:"1.1058 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"40.97 kJ/mol at 25 deg"},"Melting Point":{Value:"-45.2 °C"},"NFPA Hazard Classification":{Value:"3-3-0"},Odor:{Value:"Faint, not unpleasant odor"},"Refractive Index":{Value:"Index of refraction: 1.5241 at 20 °C/D"},Solubility:{Value:"In water, 499 mg/L at 25 °C"},Uses:{Value:"For chlorobenzene (USEPA/OPP Pesticide Code: 056504) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"3.88 (Air = 1)"},"Vapor Pressure":{Value:"12.0 mm Hg at 25 °C"},Viscosity:{Value:"0.806 mPa.s at 20 °C"}},ReducedFormula:"C6Cl1H5"},7966:{PUBCHEM:{CID:"7966","Compound Complexity":46.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclohexanol","IUPAC Name CAS-like Style":"Cyclohexanol","IUPAC Name Markup":"Cyclohexanol","IUPAC Name Preferred":"Cyclohexanol","IUPAC Name Systematic":"Cyclohexanol","IUPAC Name Traditional":"Cyclohexanol",InChI:"1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",InChIKey:"HPXRVTGHNJAIIH-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":100.08881501,"Molecular Formula":"C6H12O","Molecular Weight":100.16,"Monoisotopic Mass":100.08881501,Charge:0,"Easy Name":"Cyclohexanol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"161.84 °C"},"Color And Form":{Value:"Colorless needles or viscous liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 650.10 K (377.1 °C); critical pressure: 4.26X10+6 Pa"},Density:{Value:"0.9624 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"14.82 kcal/mol at 25 °C"},"Melting Point":{Value:"25.93 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},Odor:{Value:"Camphor-like odor"},"Refractive Index":{Value:"Index of refraction: 1.4641 at 20 °C/D"},Solubility:{Value:"3.6% (wt/wt) in water at 20 °C; miscible with ethyl acetate, linseed oil, petroleum solvents."},Uses:{Value:"Solvent for alkyd resins, alcohol-soluble phenolic resins, ethyl cellulose. Manufacture of celluloid; finishing textiles; in insecticides."},"Vapor Density":{Value:"3.5 (Air = 1)"},"Vapor Pressure":{Value:"0.657 mm Hg at 25 °C"},Viscosity:{Value:"4.6 mPa.s (= cP) at 25 °C"}},ReducedFormula:"C6H12O1"},7969:{PUBCHEM:{CID:"7969","Compound Complexity":46.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Benzenethiol","IUPAC Name CAS-like Style":"Benzenethiol","IUPAC Name Markup":"Benzenethiol","IUPAC Name Preferred":"Benzenethiol","IUPAC Name Systematic":"Benzenethiol","IUPAC Name Traditional":"Benzenethiol",InChI:"1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H",InChIKey:"RMVRSNDYEFQCLF-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":110.01902137,"Molecular Formula":"C6H6S","Molecular Weight":110.18,"Monoisotopic Mass":110.01902137,Charge:0,"Easy Name":"Thiophenol","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"169.1 °C"},"Color And Form":{Value:"Water-white liquid"},Density:{Value:"1.0775 g/cu cm at 20 °C"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of thiophenol stem from its toxicologic properties and flammability. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this clear-to-white, garlic-smelling liquid may occur from its manufacture and use as a chemical intermediate for insecticides, acaricides, fungicides, pharmaceuticals, and polymers. Effects from exposure may include contact burns to the skin and eyes, headaches, eye changes, and methemoglobin formation. OSHA has set a time-weighted average (TWA) limit of 0.5 ppm, as a final rule to become effective December 31, 1992. Local exhaust ventilation should be used to control thiophenol in workplace air. In activities and situations where over-exposure may occur, wear a self-contained breathing apparatus and chemical protective clothing which is specifically recommended by the shipperor producer. If contact should occur, irrigate eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Contaminated clothing and shoes should be removed and left at the site. Thiophenol may be ignited by heat, sparks, or flames, and may form explosive concentrations in confined spaces such as sewers. For fires involving thiophenol, extinguish with dry chemical, CO2, water spray, fog, or regular foam. Fight such fires from a maximum distance and dike fire control water for later disposal. Thiophenol may be transported domestically via air, rail, road, and water, in containers bearing the label, "Poison." For small spills of thiophenol, take up with sand or other noncombustible absorbent and place into containers for later disposal. Large spills should be diked far ahead for later disposal.'},"Melting Point":{Value:"-14.87 °C"},Odor:{Value:"Repulsive, penetrating, garlic-like odor, especially when impure"},pH:{Value:"Feebly acidic"},"Refractive Index":{Value:"Index of refraction: 1.5893 at 20 °C/D"},Solubility:{Value:"In water, 835 mg/L at 25 °C"},Uses:{Value:"Pharmaceutical synthesis"},"Vapor Pressure":{Value:"1.93 mm Hg at 25 °C"}},ReducedFormula:"C6H6S1"},7970:{PUBCHEM:{CID:"7970","Compound Complexity":52.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"3-methylpyridine","IUPAC Name CAS-like Style":"3-methylpyridine","IUPAC Name Markup":"3-methylpyridine","IUPAC Name Preferred":"3-methylpyridine","IUPAC Name Systematic":"3-methylpyridine","IUPAC Name Traditional":"Beta-picoline",InChI:"1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",InChIKey:"ITQTTZVARXURQS-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":93.05784923,"Molecular Formula":"C6H7N","Molecular Weight":93.13,"Monoisotopic Mass":93.05784923,Charge:0,"Easy Name":"3-Methylpyridine","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"144.1 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 644.8 K; critical pressure: 4.63 MPa"},Density:{Value:"0.9566 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"37.35 kJ/mol at 144.14 °C; 44.44 kJ/mol at 25 °C"},"Melting Point":{Value:"-18.1 °C"},Odor:{Value:"Sweetish, not unpleasant odor"},"Refractive Index":{Value:"Index of refraction: 1.5043 at@ 24 °C/D"},Solubility:{Value:"Miscible with water at 20 °C"},Uses:{Value:"Solvent; intermediate in dye and resins industries; in the manufacture of insecticides, waterproofing agents, niacin and niacinamide."},"Vapor Pressure":{Value:"6.05 mm Hg at 25 °C"}},ReducedFormula:"C6H7N1"},7975:{PUBCHEM:{CID:"7975","Compound Complexity":52.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2-methylpyridine","IUPAC Name CAS-like Style":"2-methylpyridine","IUPAC Name Markup":"2-methylpyridine","IUPAC Name Preferred":"2-methylpyridine","IUPAC Name Systematic":"2-methylpyridine","IUPAC Name Traditional":"Alpha-picoline",InChI:"1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",InChIKey:"BSKHPKMHTQYZBB-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":93.05784923,"Molecular Formula":"C6H7N","Molecular Weight":93.13,"Monoisotopic Mass":93.05784923,Charge:0,"Easy Name":"2-Methylpyridine","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"129.4 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 622 K; critical pressure: 4.62 MPa"},Density:{Value:"0.9443 at 20 °C/4 °C"},"Melting Point":{Value:"-66.65 °C"},"NFPA Hazard Classification":{Value:"2-3-0"},Odor:{Value:"Strong unpleasant odor"},pH:{Value:"/SRP/: Weak base"},"Refractive Index":{Value:"Index of refraction: 1.4957 at 20 °C/D"},Solubility:{Value:"Miscible in water at 20 °C"},Uses:{Value:"Intermediate in dye and resins industries; solvent."},"Vapor Density":{Value:"3.2 (Air= 1)"},"Vapor Pressure":{Value:"11.2 mm Hg at 25 °C"}},ReducedFormula:"C6H7N1"},7983:{PUBCHEM:{CID:"7983","Compound Complexity":89.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"Butyl butanoate","IUPAC Name CAS-like Style":"Butanoic acid butyl ester","IUPAC Name Markup":"Butyl butanoate","IUPAC Name Preferred":"Butyl butanoate","IUPAC Name Systematic":"Butyl butanoate","IUPAC Name Traditional":"Butyric acid butyl ester",InChI:"1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3",InChIKey:"XUPYJHCZDLZNFP-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":144.11502976,"Molecular Formula":"C8H16O2","Molecular Weight":144.21,"Monoisotopic Mass":144.11502976,Charge:0,"Easy Name":"Butyl butyrate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C8H16O2"},7991:{PUBCHEM:{CID:"7991","Compound Complexity":59.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Pentanoic acid","IUPAC Name CAS-like Style":"Pentanoic acid","IUPAC Name Markup":"Pentanoic acid","IUPAC Name Preferred":"Pentanoic acid","IUPAC Name Systematic":"Pentanoic acid","IUPAC Name Traditional":"Valeric acid",InChI:"1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",InChIKey:"NQPDZGIKBAWPEJ-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"Valeric acid","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"186-187 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.939 at 20 °C/4 °C"},"Melting Point":{Value:"-34.5 °C"},"NFPA Hazard Classification":{Value:"3-1-0"},Odor:{Value:"UNPLEASANT ODOR, SIMILAR TO BUTYRIC ACID"},"Refractive Index":{Value:"Index of refraction: 1.4086 at 20 degC/D"},Solubility:{Value:"Freely soluble in alcohol, ether"},Taste:{Value:"Unpleasant flavor, similar to butyric acid"},Uses:{Value:"Intermediate for flavors and perfumes, ester-type lubricants, plasticizers, pharmaceuticals, vinyl stabilizers."},"Vapor Density":{Value:"3.5 (Air = 1)"},"Vapor Pressure":{Value:"1.96X10-1 mm Hg at 25 °C (est)"},Viscosity:{Value:"2.30 cP at 20 °C"}},ReducedFormula:"C5H10O2"},7997:{PUBCHEM:{CID:"7997","Compound Complexity":59.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Propyl acetate","IUPAC Name CAS-like Style":"Acetic acid propyl ester","IUPAC Name Markup":"Propyl acetate","IUPAC Name Preferred":"Propyl acetate","IUPAC Name Systematic":"Propyl ethanoate","IUPAC Name Traditional":"Acetic acid propyl ester",InChI:"1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",InChIKey:"YKYONYBAUNKHLG-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"Propyl acetate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"101.3 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 549.69 K; critical pressure: 3.37 MPa"},Density:{Value:"0.8820 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"33.92 kJ/mol at bp; 39.72 kJ/mol at 25 °C"},"Melting Point":{Value:"-93 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Pleasant odor"},"Refractive Index":{Value:"Index of refraction: 1.3844 at 20 °C/D"},Solubility:{Value:"Miscible with alcohols, ketones, esters, hydrocarbons"},Taste:{Value:"Pleasant, bittersweet flavor reminiscent of pear on dilution."},Uses:{Value:"Flavoring agents, perfumery, solvent for nitrocellulose and other cellulose derivatives, natural and synthetic resins, lacquers, plastics, organic synthesis, lab reagent"},"Vapor Density":{Value:"3.52 (Air = 1)"},"Vapor Pressure":{Value:"35.9 mm Hg at 25 °C"},Viscosity:{Value:"0.768 mPa s at 0 °C; 0.544 mPa s at 25 °C; 0.406 mPa s at 50 °C; 0.316 mPa s at 75 °C; 0.255 mPa s at 100 °C"}},ReducedFormula:"C5H10O2"},8001:{PUBCHEM:{CID:"8001","Compound Complexity":12.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,3-dibromopropane","IUPAC Name CAS-like Style":"1,3-dibromopropane","IUPAC Name Markup":"1,3-dibromopropane","IUPAC Name Preferred":"1,3-dibromopropane","IUPAC Name Systematic":"1,3-bis(bromanyl)propane","IUPAC Name Traditional":"1,3-dibromopropane",InChI:"1S/C3H6Br2/c4-2-1-3-5/h1-3H2",InChIKey:"VEFLKXRACNJHOV-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":201.88158,"Molecular Formula":"C3H6Br2","Molecular Weight":201.89,"Monoisotopic Mass":199.88363,Charge:0,"Easy Name":"1, 3-Dibromopropane","Easy Category":"Organobromides"},HSDB:{"Boiling Point":{Value:"167 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"1.9712 g/cu cm at 15 °C"},"Melting Point":{Value:"-36 °C"},Odor:{Value:"Sweet odor"},"Refractive Index":{Value:"Index of refraction = 1.5249 at 15 °C"},Solubility:{Value:"1.68 g/L in water at 30 °C. Soluble in alcohol and ether"},Uses:{Value:"Intermediate for dyestuff and pharmaceutical industries, cyclopropane manufacture."},"Vapor Pressure":{Value:"1.36 mm Hg at 25 °C"}},ReducedFormula:"Br2C3H6"},8002:{PUBCHEM:{CID:"8002","Compound Complexity":13.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1-bromobutane","IUPAC Name CAS-like Style":"1-bromobutane","IUPAC Name Markup":"1-bromobutane","IUPAC Name Preferred":"1-bromobutane","IUPAC Name Systematic":"1-bromanylbutane","IUPAC Name Traditional":"1-bromobutane",InChI:"1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3",InChIKey:"MPPPKRYCTPRNTB-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":135.98876,"Molecular Formula":"C4H9Br","Molecular Weight":137.02,"Monoisotopic Mass":135.98876,Charge:0,"Easy Name":"1-Bromobutane","Easy Category":"Organobromides"},HSDB:{"Boiling Point":{Value:"101.3 °C at 760 mm Hg"},"Color And Form":{Value:"Colorless to pale straw-colored liquid"},Density:{Value:"1.2686 at 25 °C/4 °C"},"Heat Of Vaporization":{Value:"36.64 kJ/mol at 25 °C"},"Melting Point":{Value:"-112 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},"Refractive Index":{Value:"Index of refraction = 1.4398 at 20 °C/D"},Solubility:{Value:"Slightly soluble in carbon tetrachloride; soluble in chloroform; miscible with ethanol, ether, acetone"},Uses:{Value:"In synthesis"},"Vapor Density":{Value:"4.72 (Air= 1)"},"Vapor Pressure":{Value:"41.97 mm Hg at 25 °C"},Viscosity:{Value:"0.606 mPa-sec at 25 °C"}},ReducedFormula:"Br1C4H9"},8003:{PUBCHEM:{CID:"8003","Compound Complexity":7.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Pentane","IUPAC Name CAS-like Style":"Pentane","IUPAC Name Markup":"Pentane","IUPAC Name Preferred":"Pentane","IUPAC Name Systematic":"Pentane","IUPAC Name Traditional":"N-pentane",InChI:"1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3",InChIKey:"OFBQJSOFQDEBGM-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":72.09390039,"Molecular Formula":"C5H12","Molecular Weight":72.15,"Monoisotopic Mass":72.09390039,Charge:0,"Easy Name":"Pentane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"36.06 °C"},"Color And Form":{Value:"Colorless liquid [Note: A gas above 97 degrees F. May be utilized as a fuel]."},"Critical Temperature And Pressure":{Value:"Critical temperature: 469.7 K; critical pressure: 3.37 MPa ; critical volume: 310 cu cm/mole"},Density:{Value:"0.6262 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"26.43 kJ/mol at 25 °C"},"Melting Point":{Value:"-129.67 °C"},"NFPA Hazard Classification":{Value:"1-4-0"},Odor:{Value:"Pleasant"},"Refractive Index":{Value:"Index of refraction: 1.3575 at 20 °C/D"},Solubility:{Value:"In water, 38 mg/L at 25 °C"},Uses:{Value:"For pentane (USEPA/OPP Pesticide Code: 098001) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"2.48 (Air = 1)"},"Vapor Pressure":{Value:"514 mm Hg at 25 °C"},Viscosity:{Value:"0.2224 mPa.sec at 25 °C (liquid)"}},ReducedFormula:"C5H12"},8004:{PUBCHEM:{CID:"8004","Compound Complexity":21.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Pent-1-ene","IUPAC Name CAS-like Style":"1-pentene","IUPAC Name Markup":"Pent-1-ene","IUPAC Name Preferred":"Pent-1-ene","IUPAC Name Systematic":"Pent-1-ene","IUPAC Name Traditional":"Pent-1-ene",InChI:"1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3",InChIKey:"YWAKXRMUMFPDSH-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"1-Pentene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"29.9 °C"},"Color And Form":{Value:"Liquid"},Density:{Value:"0.6405 @ 20 °C/4 °C"},"Melting Point":{Value:"-165.2 °C"},Odor:{Value:"HIGHLY DISAGREEABLE"},"Refractive Index":{Value:"Index of refraction: 1.3715 @ 20 °C/D"},Solubility:{Value:"Sol in all proportions in alcohol, ether, and benzene"},Uses:{Value:"Organic synthesis, blending agent for high octane motor fuel, pesticide formulations"},"Vapor Density":{Value:"2.42 (AIR= 1)"},"Vapor Pressure":{Value:"635 mm Hg @ 25 °C"},Viscosity:{Value:"0.202 cSt at 20 °C"}},ReducedFormula:"C5H10"},8005:{PUBCHEM:{CID:"8005","Compound Complexity":13.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1-chlorobutane","IUPAC Name CAS-like Style":"1-chlorobutane","IUPAC Name Markup":"1-chlorobutane","IUPAC Name Preferred":"1-chlorobutane","IUPAC Name Systematic":"1-chloranylbutane","IUPAC Name Traditional":"1-chlorobutane",InChI:"1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3",InChIKey:"VFWCMGCRMGJXDK-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":92.039278,"Molecular Formula":"C4H9Cl","Molecular Weight":92.57,"Monoisotopic Mass":92.039278,Charge:0,"Easy Name":"1-Chlorobutane","Easy Category":"Organochlorides"},HSDB:{"Boiling Point":{Value:"78.5 °C @ 760 mm Hg"},"Color And Form":{Value:"COLORLESS LIQ"},"Critical Temperature And Pressure":{Value:"Critical temperature: 269 °C"},Density:{Value:"0.88098 @ 25 °C/4 °C; 0.89197 @ 15 °C/4 °C; 0.88648 @ 20 °C/4 °C"},"Heat Of Vaporization":{Value:"30.39 KJ/mol"},"Melting Point":{Value:"-123.1 °C"},"NFPA Hazard Classification":{Value:"2-3-0"},Odor:{Value:"Unpleasant"},"Refractive Index":{Value:"Index of refraction: 1.40223 @ 20 °C/D"},Solubility:{Value:"PRACTICALLY INSOL IN WATER (0.066% @ 12 °C); MISCIBLE WITH ALC, ETHER"},Uses:{Value:"SOLVENT; INT IN SYNTHESIS OF ALKYLATED ANILINES"},"Vapor Density":{Value:"3.2 (air= 1)"},"Vapor Pressure":{Value:"80.1 MM HG @ 20 °C"},Viscosity:{Value:"0.0045 POISE @ 20 °C"}},ReducedFormula:"C4Cl1H9"},8007:{PUBCHEM:{CID:"8007","Compound Complexity":13.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Butan-1-amine","IUPAC Name CAS-like Style":"1-butanamine","IUPAC Name Markup":"Butan-1-amine","IUPAC Name Preferred":"Butan-1-amine","IUPAC Name Systematic":"Butan-1-amine","IUPAC Name Traditional":"Butylamine",InChI:"1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3",InChIKey:"HQABUPZFAYXKJW-UHFFFAOYSA-N","Log P":1,"Exact Mass":73.08914936,"Molecular Formula":"C4H11N","Molecular Weight":73.14,"Monoisotopic Mass":73.08914936,Charge:0,"Easy Name":"N-Butylamine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"78 °C"},"Color And Form":{Value:"CLEAR, COLORLESS LIQUID"},"Critical Temperature And Pressure":{Value:"CRITICAL TEMPERATURE: 484 °F = 251 °C = 524 DEG K; CRITICAL PRESSURE: 603 PSIA = 41 ATM = 4.16 MN/SQ M"},Density:{Value:"0.7327 at 25 °C/4 °C"},"Heat Of Vaporization":{Value:"35.72 kJ/mole at 25 °C"},"Melting Point":{Value:"-50 °C"},"NFPA Hazard Classification":{Value:"3-3-0"},Odor:{Value:"Amine odor"},"Refractive Index":{Value:"Index of refraction: 1.4010 at 20 °C/D"},Solubility:{Value:"Miscible with alcohol, ether"},Uses:{Value:"Monobutylamine is an intermediate for the production of plasticizers (e.g., the rubber accelerator dibutylthiourea), agrochemicals (e.g., DuPont's fungicide benomyl), pharmaceuticals (e.g., the antidiabetic tolbutamide), emulsifying agents, dyes, and UV absorbers."},"Vapor Density":{Value:"2.5 (AIR = 1)"},"Vapor Pressure":{Value:"92.9 mm Hg at 25 °C"},Viscosity:{Value:"0.574 mPa s at 25 °C"}},ReducedFormula:"C4H11N1"},8021:{PUBCHEM:{CID:"8021","Compound Complexity":11.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"N-ethylethanamine","IUPAC Name CAS-like Style":"N-ethylethanamine","IUPAC Name Markup":"N-ethylethanamine","IUPAC Name Preferred":"N-ethylethanamine","IUPAC Name Systematic":"N-ethylethanamine","IUPAC Name Traditional":"Diethylamine",InChI:"1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3",InChIKey:"HPNMFZURTQLUMO-UHFFFAOYSA-N","Log P":.6,"Exact Mass":73.08914936,"Molecular Formula":"C4H11N","Molecular Weight":73.14,"Monoisotopic Mass":73.08914936,Charge:0,"Easy Name":"Diethylamine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"55.5 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 499.5 K; critical pressure: 3.75 MPa"},Density:{Value:"0.7056 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"31.31 kJ/mol at 25 °C"},"Melting Point":{Value:"-50 °C"},"NFPA Hazard Classification":{Value:"3-3-0"},Odor:{Value:"Fishy, ammonia-like odor"},pH:{Value:"STRONGLY ALKALINE"},"Refractive Index":{Value:"Index of refraction: 1.3864 at 20 °C/D"},Solubility:{Value:"In water, infinitely soluble /1X10+6 mg/L/ at 25 °C"},Uses:{Value:"Rubber chemicals, textile specialties, selective solvent, dyes, flotation agents, resins, pesticides, polymerization inhibitors, pharmaceuticals, petroleum chemicals, electroplating, corrosion inhibitors."},"Vapor Density":{Value:"2.52 (Air = 1)"},"Vapor Pressure":{Value:"237 mm Hg at 25 °C"},Viscosity:{Value:"0.319 mPa.s at 25 °C; 0.239 mPa.s at 50 °C"}},ReducedFormula:"C4H11N1"},8025:{PUBCHEM:{CID:"8025","Compound Complexity":26.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Ethyl formate","IUPAC Name CAS-like Style":"Formic acid ethyl ester","IUPAC Name Markup":"Ethyl formate","IUPAC Name Preferred":"Ethyl formate","IUPAC Name Systematic":"Ethyl methanoate","IUPAC Name Traditional":"Formic acid ethyl ester",InChI:"1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3",InChIKey:"WBJINCZRORDGAQ-UHFFFAOYSA-N","Log P":.5,"Exact Mass":74.036779433,"Molecular Formula":"C3H6O2","Molecular Weight":74.08,"Monoisotopic Mass":74.036779433,Charge:0,"Easy Name":"Ethyl formate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"54.5 °C @ 760 MM HG"},"Color And Form":{Value:"MOBILE LIQUID"},"Critical Temperature And Pressure":{Value:"CRITICAL TEMP: 455 °F= 235 °C= 508 DEG K"},Density:{Value:"0.9168 @ 20 °C"},"Heat Of Vaporization":{Value:"176 BTU/LB= 98 CAL/G= 4.1X10+5 JOULES/KG"},"Melting Point":{Value:"-80.5 °C"},"NFPA Hazard Classification":{Value:"2-3-0"},Odor:{Value:"Fruity odor."},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.3598 @ 20 °C/D"},Solubility:{Value:"SOLUBILITY IN WATER: 9 PARTS/100 @ 18 °C; MISCIBLE WITH BENZENE"},Taste:{Value:"SLIGHTLY BITTER TASTE"},Uses:{Value:"IN LACQUER INDUSTRY, IN ARTIFICIAL SILK MFR AS SOLVENT FOR CELLULOSE ACETATE; IN MFR OF SAFETY GLASS; IN SHOE INDUSTRY AS SOLVENT FOR CELLULOID"},"Vapor Density":{Value:"2.56 (AIR= 1)"},"Vapor Pressure":{Value:"200 MM HG @ 20.6 °C"}},ReducedFormula:"C3H6O2"},8026:{PUBCHEM:{CID:"8026","Compound Complexity":28.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Ethyl nitrite","IUPAC Name CAS-like Style":"Nitrous acid ethyl ester","IUPAC Name Markup":"Ethyl nitrite","IUPAC Name Preferred":"Ethyl nitrite","IUPAC Name Systematic":"Ethyl nitrite","IUPAC Name Traditional":"Nitrous acid ethyl ester",InChI:"1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3",InChIKey:"QQZWEECEMNQSTG-UHFFFAOYSA-N","Log P":.4,"Exact Mass":75.032028405,"Molecular Formula":"C2H5NO2","Molecular Weight":75.07,"Monoisotopic Mass":75.032028405,Charge:0,"Easy Name":"Ethyl nitrite","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"17 °C"},"Color And Form":{Value:"Colorless or yellowish, clear liquid"},Density:{Value:"0.90 @ 15 °C/15 °C"},"Heat Of Vaporization":{Value:"229 BTU/LB= 127 CAL/G= 5.32X10+5 J/KG"},"Melting Point":{Value:"FP: -58 °F= -50 °C= 233 deg K"},"NFPA Hazard Classification":{Value:"3-4-4"},Odor:{Value:"SWEET, RUM-LIKE ODOR"},"Refractive Index":{Value:"Index of refraction: 1.3418 @ 10 °C/D"},Solubility:{Value:"Slightly soluble in water; decomposes in water; miscible with alcohol, ether"},Taste:{Value:"FRUITY TASTE"},Uses:{Value:"For preparing spirit nitrous ether"},"Vapor Density":{Value:"2.6"}},ReducedFormula:"C2H5N1O2"},8027:{PUBCHEM:{CID:"8027","Compound Complexity":22.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyrrole","IUPAC Name CAS-like Style":"1H-pyrrole","IUPAC Name Markup":"1H-pyrrole","IUPAC Name Preferred":"1H-pyrrole","IUPAC Name Systematic":"1H-pyrrole","IUPAC Name Traditional":"Pyrrole",InChI:"1S/C4H5N/c1-2-4-5-3-1/h1-5H",InChIKey:"KAESVJOAVNADME-UHFFFAOYSA-N","Log P":.7,"Exact Mass":67.042199166,"Molecular Formula":"C4H5N","Molecular Weight":67.09,"Monoisotopic Mass":67.042199166,Charge:0,"Easy Name":"Pyrrole","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"129.7 °C"},"Color And Form":{Value:"Colorless liquid when fresh"},"Critical Temperature And Pressure":{Value:"Critical temperature: 366.75 °C; Critical pressure: 6.21X10+6 Pa"},Density:{Value:"0.9698 @ 20 °C"},"Heat Of Vaporization":{Value:"10.79 kcla/mol @ 25 °C"},"Melting Point":{Value:"-23.4 °C"},"NFPA Hazard Classification":{Value:"2-2-0"},Odor:{Value:"Agreeable empyreumatic odor resembling that of chloroform"},"Refractive Index":{Value:"Index of refraction: 1.5085 @ 20 °C/D"},Solubility:{Value:"Soluble in alcohol, ether and dilute acids. Also soluble in most organic chemicals."},Taste:{Value:"Burning, pungent taste"},Uses:{Value:"Intermediate especially in drug manufacture"},"Vapor Density":{Value:"2.31 (Air= 1)"},"Vapor Pressure":{Value:"8.35 mm Hg @ 25 dec C"},Viscosity:{Value:"4.1123X10-3 Pa.s @ 249.74K"}},ReducedFormula:"C4H5N1"},8028:{PUBCHEM:{CID:"8028","Compound Complexity":22.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrahydrofuran","IUPAC Name CAS-like Style":"Oxolane","IUPAC Name Markup":"Oxolane","IUPAC Name Preferred":"Oxolane","IUPAC Name Systematic":"Oxolane","IUPAC Name Traditional":"Tetrahydrofuran",InChI:"1S/C4H8O/c1-2-4-5-3-1/h1-4H2",InChIKey:"WYURNTSHIVDZCO-UHFFFAOYSA-N","Log P":.5,"Exact Mass":72.057514878,"Molecular Formula":"C4H8O","Molecular Weight":72.11,"Monoisotopic Mass":72.057514878,Charge:0,"Easy Name":"Tetrahydrofuran","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"65 °C"},"Color And Form":{Value:"Colorless, mobile liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 268.0 °C; critical pressure: 51.2 atm"},Density:{Value:"0.8833 g/cu cm at 25 °C"},"Hazards Summary":{Value:'Tetrahydrofuran (THF) is a very hazardous substance due primarily to its flammable and explosive properties. Toxicity is also of concern and must be considered in the safe handling and storage of THF. Irritation from dermal contact with THF warrants the wearing of gloves and safety glasses for protection during the routine handling of this substance. Toxic, as well as flammable, concentrations of THF in air can be avoided by compliance with the TLV of 200 ppm. When this TLV is exceeded, respiratory protection is needed. Protection above the TLV of 50 ppm up to 500 ppm can be provided by a respirator mask using an approved organic vapor cartridge. For emergency situations, such as fires or involving exposure above 500 ppm, a self-contained breathing apparatus would be needed. THF is highly volatile with a low flash point (1 °F) and flammability limit of 2%. Its heavier-than-air vapors can travel at low profile for considerable distances and flash back to the point of origin. Further, unstabilized THF forms peroxides upon exposure to air or light, which, if allowed to accumulate above 1% become thermally explosive. THF also reacts explosively with lithium-aluminum alloys. In consideration of the above, THF should be contained in tightly sealed dark glass bottles or steel drums affixed with the DOT-required label, "Flammable Liquid". Should THF leak from containment vessels, its faint, fruity smell, is detectable at 50 ppm and may serve as a warning. Containers should be stored in cool, dark, well-ventilated areas, away from ignition sources and oxidizing materials. Should a THF fire occur, it may be combated with dry chemical or CO2 extinguishers. Water may be ineffective in firefighting. However, if a leak or spill has not ignited, it may be flushed with water for cooling and diluting if conditions of ignition threaten. Knock down vapors with water spray. Spills or leaks should be absorbed with paper or dissolved in petroleum ether or alcohol (of a higher molecular weight than butyl alcohol); then collected and removed for outdoor evaporation or safe incineration.'},"Heat Of Vaporization":{Value:"180 BTU/lb= 98.1 cal/g= 4.1X10+5 J/kg"},"Melting Point":{Value:"-108.44 °C"},"NFPA Hazard Classification":{Value:"2-3-1"},Odor:{Value:"Ether-like odor"},"Refractive Index":{Value:"Index of refraction: 1.4050 at 20 °C/D"},Solubility:{Value:"Miscible with alcohols, ketones, esters, hydrocarbons, and ethers."},Taste:{Value:"PUNGENT TASTE"},Uses:{Value:"Solvent for high polymers, especially polyvinyl chloride. As reaction medium for Grignard and metal hydride reactions. In the synthesis of butyrolactone, succinic acid, 1,4-butanediol diacetate. Solvent in histological techniques."},"Vapor Density":{Value:"2.5 (Air = 1)"},"Vapor Pressure":{Value:"1.62X10+2 mm Hg at 25 °C"},Viscosity:{Value:"0.53 cP at 20 °C"}},ReducedFormula:"C4H8O1"},8032:{PUBCHEM:{CID:"8032","Compound Complexity":239,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Ethane-1,2-disulfonic acid","IUPAC Name CAS-like Style":"Ethane-1,2-disulfonic acid","IUPAC Name Markup":"Ethane-1,2-disulfonic acid","IUPAC Name Preferred":"Ethane-1,2-disulfonic acid","IUPAC Name Systematic":"Ethane-1,2-disulfonic acid","IUPAC Name Traditional":"Ethane-1,2-disulfonic acid",InChI:"1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)",InChIKey:"AFAXGSQYZLGZPG-UHFFFAOYSA-N","Log P":-2,"Exact Mass":189.96058026,"Molecular Formula":"C2H6O6S2","Molecular Weight":190.2,"Monoisotopic Mass":189.96058026,Charge:0,"Easy Name":"Ethanedisulfonic acid","Easy Category":"Sulfonic acid"},HSDB:{},ReducedFormula:"C2H6O6S2"},8038:{PUBCHEM:{CID:"8038","Compound Complexity":76.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Isobutyl acetate","IUPAC Name CAS-like Style":"Acetic acid 2-methylpropyl ester","IUPAC Name Markup":"2-methylpropyl acetate","IUPAC Name Preferred":"2-methylpropyl acetate","IUPAC Name Systematic":"2-methylpropyl ethanoate","IUPAC Name Traditional":"Acetic acid isobutyl ester",InChI:"1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3",InChIKey:"GJRQTCIYDGXPES-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":116.08372963,"Molecular Formula":"C6H12O2","Molecular Weight":116.16,"Monoisotopic Mass":116.08372963,Charge:0,"Easy Name":"Isobutyl acetate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"116.5 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 562 K; critical pressure: 2.97 MPa"},Density:{Value:"0.8712 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"35.9 kJ/mol at bp"},"Melting Point":{Value:"-98.8 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Fruit-like odor"},pH:{Value:"Neutral"},"Refractive Index":{Value:"Index of refraction: 1.3902 at 20 °C"},Solubility:{Value:"Miscible with ethanol, ether and methanol; soluble in acetone; slightly soluble in carbon tetrachloride"},Taste:{Value:"CHARACTERISTIC ETHER-LIKE, SLIGHTLY BITTER FLAVOR"},Uses:{Value:"Solvent for nitrocellulose; in thinners, sealants, and topcoat lacquers; perfumery; flavoring agent."},"Vapor Density":{Value:"4.0 (Air = 1)"},"Vapor Pressure":{Value:"17.8 mm Hg at 25 °C"},Viscosity:{Value:"0.676 mPa s at 25 °C; 0.493 mPa s at 50 °C; 0.370 mPa s at 75 °C; 0.286 mPa s at 100 °C"}},ReducedFormula:"C6H12O2"},8051:{PUBCHEM:{CID:"8051","Compound Complexity":66.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Heptan-2-one","IUPAC Name CAS-like Style":"2-heptanone","IUPAC Name Markup":"Heptan-2-one","IUPAC Name Preferred":"Heptan-2-one","IUPAC Name Systematic":"Heptan-2-one","IUPAC Name Traditional":"Heptan-2-one",InChI:"1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3",InChIKey:"CATSNJVOTSVZJV-UHFFFAOYSA-N","Log P":2,"Exact Mass":114.10446507,"Molecular Formula":"C7H14O","Molecular Weight":114.19,"Monoisotopic Mass":114.10446507,Charge:0,"Easy Name":"2-Heptanone","Easy Category":"Ketone"},HSDB:{"Boiling Point":{Value:"151.5 °C at 760 mm Hg; 111 °C at 21 mm Hg"},"Color And Form":{Value:"Colorless to white liquid"},Density:{Value:"0.8324 at 0 °C/4 °C; 0.8197 at 15 °C/4 °C; 0.8068 at 30 °C/4 °C"},"Heat Of Vaporization":{Value:"12,478.9 G CAL/G MOL"},"Melting Point":{Value:"-35.5 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},Odor:{Value:"Penetrating fruity odor"},"Refractive Index":{Value:"Index of refraction: 1.41156 at 15 °C/D, 1.40729 at 25 °C/D"},Solubility:{Value:"Soluble in alcohol and ether"},Taste:{Value:"PEAR-LIKE FLAVOR"},Uses:{Value:"Industrial solvent; solvent for synthetic resin finishes; fragrance ingredient in creams, lotions, perfumes, soaps & detergents; flavor ingredient in foods; inert reaction medium"},"Vapor Density":{Value:"3.9 (AIR= 1)"},"Vapor Pressure":{Value:"3.85 mm Hg at 25 °C"},Viscosity:{Value:"0.77 cP"}},ReducedFormula:"C7H14O1"},8052:{PUBCHEM:{CID:"8052","Compound Complexity":59.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Isopentyl formate","IUPAC Name CAS-like Style":"Formic acid 3-methylbutyl ester","IUPAC Name Markup":"3-methylbutyl formate","IUPAC Name Preferred":"3-methylbutyl formate","IUPAC Name Systematic":"3-methylbutyl methanoate","IUPAC Name Traditional":"Formic acid isoamyl ester",InChI:"1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3",InChIKey:"XKYICAQFSCFURC-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":116.08372963,"Molecular Formula":"C6H12O2","Molecular Weight":116.16,"Monoisotopic Mass":116.08372963,Charge:0,"Easy Name":"Isoamyl formate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C6H12O2"},8053:{PUBCHEM:{CID:"8053","Compound Complexity":63.4,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Isopentyl nitrite","IUPAC Name CAS-like Style":"Nitrous acid 3-methylbutyl ester","IUPAC Name Markup":"3-methylbutyl nitrite","IUPAC Name Preferred":"3-methylbutyl nitrite","IUPAC Name Systematic":"3-methylbutyl nitrite","IUPAC Name Traditional":"Nitrous acid isoamyl ester",InChI:"1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3",InChIKey:"OWFXIOWLTKNBAP-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":117.0789786,"Molecular Formula":"C5H11NO2","Molecular Weight":117.15,"Monoisotopic Mass":117.0789786,Charge:0,"Easy Name":"Amyl nitrite","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"99.2 °C"},"Color And Form":{Value:"Yellowish, transparent liquid"},Density:{Value:"0.875 @ 25 °C"},Odor:{Value:"Penetrating fragrant, somewhat fruity odor"},"Refractive Index":{Value:"Index of refraction: 1.3918 @ 20 °C"},Solubility:{Value:"MISCIBLE WITH ETHER, ALCOHOL, CHLOROFORM"},Taste:{Value:"Pungent, aromatic taste"},Uses:{Value:"Used in perfumes; preparation of diazonium compounds"},"Vapor Density":{Value:"4.0 (Air=1)"}},ReducedFormula:"C5H11N1O2"},8056:{PUBCHEM:{CID:"8056","Compound Complexity":17.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,4-dibromobutane","IUPAC Name CAS-like Style":"1,4-dibromobutane","IUPAC Name Markup":"1,4-dibromobutane","IUPAC Name Preferred":"1,4-dibromobutane","IUPAC Name Systematic":"1,4-bis(bromanyl)butane","IUPAC Name Traditional":"1,4-dibromobutane",InChI:"1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2",InChIKey:"ULTHEAFYOOPTTB-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":215.89723,"Molecular Formula":"C4H8Br2","Molecular Weight":215.91,"Monoisotopic Mass":213.89928,Charge:0,"Easy Name":"1, 4-dibromobutane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C4H8"},8057:{PUBCHEM:{CID:"8057","Compound Complexity":19.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1-bromopentane","IUPAC Name CAS-like Style":"1-bromopentane","IUPAC Name Markup":"1-bromopentane","IUPAC Name Preferred":"1-bromopentane","IUPAC Name Systematic":"1-bromanylpentane","IUPAC Name Traditional":"1-bromopentane",InChI:"1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3",InChIKey:"YZWKKMVJZFACSU-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":150.00441,"Molecular Formula":"C5H11Br","Molecular Weight":151.04,"Monoisotopic Mass":150.00441,Charge:0,"Easy Name":"1-Bromopentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"Br1C5H11"},8058:{PUBCHEM:{CID:"8058","Compound Complexity":12,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hexane","IUPAC Name CAS-like Style":"Hexane","IUPAC Name Markup":"Hexane","IUPAC Name Preferred":"Hexane","IUPAC Name Systematic":"Hexane","IUPAC Name Traditional":"N-hexane",InChI:"1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",InChIKey:"VLKZOEOYAKHREP-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":86.10955045,"Molecular Formula":"C6H14","Molecular Weight":86.18,"Monoisotopic Mass":86.10955045,Charge:0,"Easy Name":"Hexane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"68.73 °C"},"Color And Form":{Value:"Liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 507.50 K; critical pressure: 3.03 MPa"},Density:{Value:"0.6606 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"31.56 kJ/mol at 25 °C"},"Melting Point":{Value:"-95.35 °C"},"NFPA Hazard Classification":{Value:"0-3-0"},Odor:{Value:"Gasoline-like odor"},"Refractive Index":{Value:"Index of refraction: 1.3727 at 25 °C"},Solubility:{Value:"In water, 9.5 mg/L at 25 °C"},Uses:{Value:"Determining refractive index of minerals; filling for thermometers instead of mercury, usually with a blue or red dye; extraction solvent for oilseed processing."},"Vapor Density":{Value:"2.97 (Air = 1)"},"Vapor Pressure":{Value:"153 mm Hg at 25 °C"},Viscosity:{Value:"3.26X10-4 Pa-s at 20 °C"}},ReducedFormula:"C6H14"},8059:{PUBCHEM:{CID:"8059","Compound Complexity":17.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,4-dichlorobutane","IUPAC Name CAS-like Style":"1,4-dichlorobutane","IUPAC Name Markup":"1,4-dichlorobutane","IUPAC Name Preferred":"1,4-dichlorobutane","IUPAC Name Systematic":"1,4-bis(chloranyl)butane","IUPAC Name Traditional":"1,4-dichlorobutane",InChI:"1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2",InChIKey:"KJDRSWPQXHESDQ-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":126.0003056,"Molecular Formula":"C4H8Cl2","Molecular Weight":127.01,"Monoisotopic Mass":126.0003056,Charge:0,"Easy Name":"1, 4-Dichlorobutane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C4Cl2H8"},8063:{PUBCHEM:{CID:"8063","Compound Complexity":32.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Pentanal","IUPAC Name CAS-like Style":"Pentanal","IUPAC Name Markup":"Pentanal","IUPAC Name Preferred":"Pentanal","IUPAC Name Systematic":"Pentanal","IUPAC Name Traditional":"Valeraldehyde",InChI:"1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",InChIKey:"HGBOYTHUEUWSSQ-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":86.073164942,"Molecular Formula":"C5H10O","Molecular Weight":86.13,"Monoisotopic Mass":86.073164942,Charge:0,"Easy Name":"Pentanal","Easy Category":"Aldehyde"},HSDB:{"Boiling Point":{Value:"103 °C"},"Color And Form":{Value:"Liquid"},Density:{Value:"0.8095 g/cu cm at 20 °C"},"Melting Point":{Value:"-91.5 °C"},"NFPA Hazard Classification":{Value:"2-3-0"},Odor:{Value:"POWERFUL, ACRID, PUNGENT ODOR"},"Refractive Index":{Value:"Index of refraction = 1.3944 at 20 °C/D"},Solubility:{Value:"Soluble in ethanol, ethyl ether"},Taste:{Value:"WARM, SLIGHTLY FRUITY, & NUT-LIKE AT LOW LEVELS"},Uses:{Value:"Flavoring, rubber accelerators"},"Vapor Density":{Value:"3.0 (Air = 1)"},"Vapor Pressure":{Value:"26 mm Hg at 20 °C"},Viscosity:{Value:"0.54 mPa-s at 20 °C"}},ReducedFormula:"C5H10O1"},8064:{PUBCHEM:{CID:"8064","Compound Complexity":17.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Butane-1,4-diol","IUPAC Name CAS-like Style":"Butane-1,4-diol","IUPAC Name Markup":"Butane-1,4-diol","IUPAC Name Preferred":"Butane-1,4-diol","IUPAC Name Systematic":"Butane-1,4-diol","IUPAC Name Traditional":"Butane-1,4-diol",InChI:"1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2",InChIKey:"WERYXYBDKMZEQL-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":90.068079562,"Molecular Formula":"C4H10O2","Molecular Weight":90.12,"Monoisotopic Mass":90.068079562,Charge:0,"Easy Name":"1, 4-Butanediol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"229.5 °C"},"Color And Form":{Value:"Colorless, oily liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 724 K; critical pressure: 5.52 MPa"},Density:{Value:"1.0171 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"56.5 kJ/mol at 230.5 °C"},"Melting Point":{Value:"20.43 °C"},"NFPA Hazard Classification":{Value:"1-1-0"},Odor:{Value:"Almost odorless"},"Refractive Index":{Value:"Index of refraction: 1.4460 at 20 °C"},Solubility:{Value:"In water, 1.0X10+6 mg/L at 20 °C /miscible/"},Uses:{Value:"1,4-Butanediol is a versatile intermediate for the chemical industry. The most important area of application is the production of polyurethanes and poly(butylene terephthalate). Among the polyurethanes produced from 1,4-butanediol, cellular and compact elastomers are of prime importance."},"Vapor Density":{Value:"3.1 (Air = 1)"},"Vapor Pressure":{Value:"0.0105 mm Hg at 25 °C"},Viscosity:{Value:"84.9 mPa.s at 20 °C"}},ReducedFormula:"C4H10O2"},8078:{PUBCHEM:{CID:"8078","Compound Complexity":15.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclohexane","IUPAC Name CAS-like Style":"Cyclohexane","IUPAC Name Markup":"Cyclohexane","IUPAC Name Preferred":"Cyclohexane","IUPAC Name Systematic":"Cyclohexane","IUPAC Name Traditional":"Cyclohexane",InChI:"1S/C6H12/c1-2-4-6-5-3-1/h1-6H2",InChIKey:"XDTMQSROBMDMFD-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":84.09390039,"Molecular Formula":"C6H12","Molecular Weight":84.16,"Monoisotopic Mass":84.09390039,Charge:0,"Easy Name":"Cyclohexane","Easy Category":"Cycloalkane"},HSDB:{"Boiling Point":{Value:"80.7 °C at 760 mm Hg"},"Color And Form":{Value:"Colorless mobile liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 280.3 °C; Critical pressure: 4.07 MPa"},Density:{Value:"0.7781 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"33.059 kJ/mol at 25 °C; 29.977 kJ/mol at the boiling point"},"Melting Point":{Value:"6.47 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Solvent odor; pungent when impure"},"Refractive Index":{Value:"Index of refraction: 1.42662 at 20 °C/D"},Solubility:{Value:"In water, 55 mg/L at 25 °C"},Uses:{Value:"For cyclohexane (USEPA/OPP Pesticide Code: 025901) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"2.98 (Air = 1)"},"Vapor Pressure":{Value:"96.9 mm Hg at 25 °C"},Viscosity:{Value:"0.977 mPa.s at 20 °C"}},ReducedFormula:"C6H12"},8079:{PUBCHEM:{CID:"8079","Compound Complexity":45.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclohexene","IUPAC Name CAS-like Style":"Cyclohexene","IUPAC Name Markup":"Cyclohexene","IUPAC Name Preferred":"Cyclohexene","IUPAC Name Systematic":"Cyclohexene","IUPAC Name Traditional":"Cyclohexene",InChI:"1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",InChIKey:"HGCIXCUEYOPUTN-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":82.078250322,"Molecular Formula":"C6H10","Molecular Weight":82.14,"Monoisotopic Mass":82.078250322,Charge:0,"Easy Name":"Cyclohexene","Easy Category":"Hydrocarbon"},HSDB:{"Boiling Point":{Value:"83 °C at 760 mm Hg"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature = 287.4 °C; Critical pressure = 4.347 MPa"},Density:{Value:"0.8110 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"30.46 kJ/mole at boiling point; 33.47 kJ/mole at 25 °C"},"Melting Point":{Value:"-103.5 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Sweet odor"},"Refractive Index":{Value:"Index of refraction = 1.4465 at 20 °C/D"},Solubility:{Value:"MISCIBLE IN BENZENE, CARBON TETRACHLORIDE, PETROLEUM ETHER"},Uses:{Value:"ALKYLATION COMPONENT; IN MFR OF ADIPIC ACID, MALEIC ACID, HEXAHYDROBENZOIC ACID AND ALDEHYDE. TO PREPARE BUTADIENE IN THE LABORATORY."},"Vapor Density":{Value:"2.8 (Air = 1)"},"Vapor Pressure":{Value:"89.0 mm Hg at 25 °C (est)"},Viscosity:{Value:"0.625 mPa.s at 25 °C"}},ReducedFormula:"C6H10"},8080:{PUBCHEM:{CID:"8080","Compound Complexity":57,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"3,4-dihydro-2H-pyran","IUPAC Name CAS-like Style":"3,4-dihydro-2H-pyran","IUPAC Name Markup":"3,4-dihydro-2H-pyran","IUPAC Name Preferred":"3,4-dihydro-2H-pyran","IUPAC Name Systematic":"3,4-dihydro-2H-pyran","IUPAC Name Traditional":"3,4-dihydro-2H-pyran",InChI:"1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",InChIKey:"BUDQDWGNQVEFAC-UHFFFAOYSA-N","Log P":.7,"Exact Mass":84.057514878,"Molecular Formula":"C5H8O","Molecular Weight":84.12,"Monoisotopic Mass":84.057514878,Charge:0,"Easy Name":"Dihydropyran","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C5H8O1"},8081:{PUBCHEM:{CID:"8081","Compound Complexity":21.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3,5-trioxane","IUPAC Name CAS-like Style":"1,3,5-trioxane","IUPAC Name Markup":"1,3,5-trioxane","IUPAC Name Preferred":"1,3,5-trioxane","IUPAC Name Systematic":"1,3,5-trioxane","IUPAC Name Traditional":"1,3,5-trioxane",InChI:"1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2",InChIKey:"BGJSXRVXTHVRSN-UHFFFAOYSA-N","Log P":-.4,"Exact Mass":90.031694052,"Molecular Formula":"C3H6O3","Molecular Weight":90.08,"Monoisotopic Mass":90.031694052,Charge:0,"Easy Name":"S-Trioxane","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"114.5 °C @ 759 MM HG"},"Color And Form":{Value:"CRYSTALLINE SOLID"},Density:{Value:"1.17 @ 65 °C"},"Melting Point":{Value:"64 °C"},"NFPA Hazard Classification":{Value:"2-2-0"},Odor:{Value:"CHARACTERISTIC CHLOROFORM-LIKE ODOR"},Solubility:{Value:"SOL IN WATER: 17.2 G/100 ML @ 18 °C, 21.2 @ 25 °C; EASILY SOL IN ALC, KETONES, ETHER, ACETONE, ORG SOLVENTS, CHLORINATED & AROMATIC HYDROCARBONS; SLIGHTLY SOL IN PENTANE, PETROLEUM ETHER, LOWER PARAFFINS"},Uses:{Value:"ORG SYNTHESIS; DISINFECTANT; NONLUMINOUS, ODORLESS FUEL"}},ReducedFormula:"C3H6O3"},8082:{PUBCHEM:{CID:"8082","Compound Complexity":30.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Piperidine","IUPAC Name CAS-like Style":"Piperidine","IUPAC Name Markup":"Piperidine","IUPAC Name Preferred":"Piperidine","IUPAC Name Systematic":"Piperidine","IUPAC Name Traditional":"Piperidine",InChI:"1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2",InChIKey:"NQRYJNQNLNOLGT-UHFFFAOYSA-N","Log P":.8,"Exact Mass":85.08914936,"Molecular Formula":"C5H11N","Molecular Weight":85.15,"Monoisotopic Mass":85.08914936,Charge:0,"Easy Name":"Piperidine","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"106 °C at 760 mm Hg"},"Color And Form":{Value:"CLEAR, COLORLESS LIQUID"},Density:{Value:"0.8622 at 20 °C/4 °C"},"Melting Point":{Value:"-7 °C"},"NFPA Hazard Classification":{Value:"3-3-0"},Odor:{Value:"AMINE-LIKE ODOR"},pH:{Value:"Strong base"},"Refractive Index":{Value:"Index of refraction: 1.4534 at 20 degC/D"},Solubility:{Value:"Miscible in ethanol; soluble in ethyl ether, acetone, benzene, chloroform"},Taste:{Value:"BURNING PEPPERY TASTE"},Uses:{Value:"Prepn of crystalline derivatives of aromatic nitro compd containing nuclear halogen atoms"},"Vapor Density":{Value:"3.0 (Air = 1)"},"Vapor Pressure":{Value:"32.1 mm Hg at 25 °C"}},ReducedFormula:"C5H11N1"},8088:{PUBCHEM:{CID:"8088","Compound Complexity":104,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(carboxymethoxy)acetic acid","IUPAC Name CAS-like Style":"2-(carboxymethoxy)acetic acid","IUPAC Name Markup":"2-(carboxymethoxy)acetic acid","IUPAC Name Preferred":"2-(carboxymethoxy)acetic acid","IUPAC Name Systematic":"2-(2-hydroxy-2-oxoethyloxy)ethanoic acid","IUPAC Name Traditional":"2-(carboxymethoxy)acetic acid",InChI:"1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",InChIKey:"QEVGZEDELICMKH-UHFFFAOYSA-N","Log P":-.7,"Exact Mass":134.02152329,"Molecular Formula":"C4H6O5","Molecular Weight":134.09,"Monoisotopic Mass":134.02152329,Charge:0,"Easy Name":"Diglycolic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C4H6O5"},8100:{PUBCHEM:{CID:"8100","Compound Complexity":25.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"1,5-dibromopentane","IUPAC Name CAS-like Style":"1,5-dibromopentane","IUPAC Name Markup":"1,5-dibromopentane","IUPAC Name Preferred":"1,5-dibromopentane","IUPAC Name Systematic":"1,5-bis(bromanyl)pentane","IUPAC Name Traditional":"1,5-dibromopentane",InChI:"1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2",InChIKey:"IBODDUNKEPPBKW-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":229.91288,"Molecular Formula":"C5H10Br2","Molecular Weight":229.94,"Monoisotopic Mass":227.91493,Charge:0,"Easy Name":"1, 5-Dibromopentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"Br2C5H10"},8105:{PUBCHEM:{CID:"8105","Compound Complexity":25.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"Pentane-1,5-diol","IUPAC Name CAS-like Style":"Pentane-1,5-diol","IUPAC Name Markup":"Pentane-1,5-diol","IUPAC Name Preferred":"Pentane-1,5-diol","IUPAC Name Systematic":"Pentane-1,5-diol","IUPAC Name Traditional":"Pentane-1,5-diol",InChI:"1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2",InChIKey:"ALQSHHUCVQOPAS-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":104.08372963,"Molecular Formula":"C5H12O2","Molecular Weight":104.15,"Monoisotopic Mass":104.08372963,Charge:0,"Easy Name":"1, 5-Pentanediol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"240 °C"},"Color And Form":{Value:"Viscous, oily liquid"},Density:{Value:"0.9941 g/cm cu at 20 °C; 0.9858 g/cm cu at 25 °C"},"Heat Of Vaporization":{Value:"82.4 kJ/mol at 25 °C"},"Melting Point":{Value:"-18 °C"},"NFPA Hazard Classification":{Value:"1-1-0"},"Refractive Index":{Value:"Index of refraction: 1.4499 at 20 °C"},Solubility:{Value:"Miscible with water"},Taste:{Value:"Bitter taste"},"Vapor Pressure":{Value:"3.90X10-3 mm Hg at 25 °C"},Viscosity:{Value:"128 mPa.s at 20 °C"}},ReducedFormula:"C5H12O2"},8113:{PUBCHEM:{CID:"8113","Compound Complexity":28.9,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(2-hydroxyethylamino)ethanol","IUPAC Name CAS-like Style":"2-(2-hydroxyethylamino)ethanol","IUPAC Name Markup":"2-(2-hydroxyethylamino)ethanol","IUPAC Name Preferred":"2-(2-hydroxyethylamino)ethanol","IUPAC Name Systematic":"2-(2-hydroxyethylamino)ethanol","IUPAC Name Traditional":"2-(2-hydroxyethylamino)ethanol",InChI:"1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2",InChIKey:"ZBCBWPMODOFKDW-UHFFFAOYSA-N","Log P":-1.4,"Exact Mass":105.0789786,"Molecular Formula":"C4H11NO2","Molecular Weight":105.14,"Monoisotopic Mass":105.0789786,Charge:0,"Easy Name":"Diethanolamine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"268.8 °C"},"Color And Form":{Value:"A faintly colored, viscous liquid or deliquescent prisms"},Density:{Value:"1.0966 at 20 °C"},"Melting Point":{Value:"27.9 °C"},"NFPA Hazard Classification":{Value:"3-1-0"},Odor:{Value:"Mild, ammonia-like odor"},pH:{Value:"Strong base. pH of 0.1 N aqueous solution: 11.0"},"Refractive Index":{Value:"Index of refraction: 1.4753 at 30 °C/D"},Solubility:{Value:"Miscible (1X10+6 mg/L) with water at 20 °C"},Uses:{Value:"To scrub gases as indicated under ethanolamine. Diethanolamine can be used with cracking gases and coal or oil gases which contain carbonyl sulfide that would react with monoethanolamine. As rubber chemicals intermediate. In the manufacture of surface active agents used in textile specialties, herbicides, petroleum demulsifiers. As emulsifier & dispersing agent in various agricultural chemicals, cosmetics, and pharmaceuticals. In the production of lubricants for the textile industry. As humectant and softening agent. In buffer formulations. In organic synthesis."},"Vapor Density":{Value:"3.65 (Air = 1)"},"Vapor Pressure":{Value:"2.8X10-4 mm Hg at 25 °C"},Viscosity:{Value:"351.9 cP at 30 °C; 53.85 cP at 60 °C"}},ReducedFormula:"C4H11N1O2"},8125:{PUBCHEM:{CID:"8125","Compound Complexity":46,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"Oct-1-ene","IUPAC Name CAS-like Style":"1-octene","IUPAC Name Markup":"Oct-1-ene","IUPAC Name Preferred":"Oct-1-ene","IUPAC Name Systematic":"Oct-1-ene","IUPAC Name Traditional":"Oct-1-ene",InChI:"1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",InChIKey:"KWKAKUADMBZCLK-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"Octene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"121.2 °C @ 760 mm Hg"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.7149 @ 20 °C/4 °C"},"Melting Point":{Value:"-101.7 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},"Refractive Index":{Value:"Index of refraction: 1.4062 @ 25 °C"},Solubility:{Value:"Miscible with ethanol, ether"},Uses:{Value:"Organic synthesis, plasticizer, surfactants"},"Vapor Density":{Value:"3.87 (AIR= 1)"},"Vapor Pressure":{Value:"17.4 mm Hg @ 25 °C"},Viscosity:{Value:"0.656 cSt at 20 °C"}},ReducedFormula:"C8H16"},8128:{PUBCHEM:{CID:"8128","Compound Complexity":113,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hexanedinitrile","IUPAC Name CAS-like Style":"Hexanedinitrile","IUPAC Name Markup":"Hexanedinitrile","IUPAC Name Preferred":"Hexanedinitrile","IUPAC Name Systematic":"Hexanedinitrile","IUPAC Name Traditional":"Adiponitrile",InChI:"1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2",InChIKey:"BTGRAWJCKBQKAO-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":108.068748267,"Molecular Formula":"C6H8N2","Molecular Weight":108.14,"Monoisotopic Mass":108.068748267,Charge:0,"Easy Name":"Adiponitrile","Easy Category":"Nitriles"},HSDB:{"Boiling Point":{Value:"295 °C @ 760 mm Hg"},"Color And Form":{Value:"NEEDLES FROM ETHER"},"Critical Temperature And Pressure":{Value:"Critical temperature: 507 °C; Critical pressure: 2.8 MPa (27.6 atm)"},Density:{Value:"0.9676 g/ml @ 20 °C"},"Heat Of Vaporization":{Value:"70.4X10+4 J/kg"},"Melting Point":{Value:"1-3 °C"},"NFPA Hazard Classification":{Value:"2-2-1"},Odor:{Value:"Practically odorless."},"Refractive Index":{Value:"Index of refraction: 1.4380 @ 20 °C/D"},Solubility:{Value:"Sol in alc, chloroform"},Uses:{Value:"Intermediate in the manufacture of nylon; organic synthesis"},"Vapor Density":{Value:"3.73 (air= 1)"},"Vapor Pressure":{Value:"6.8X10-4 mm Hg at 25 °C"},Viscosity:{Value:"9.1 cP @ 20 °C; 2.6 cP @ 70 °C"}},ReducedFormula:"C6H8N2"},8129:{PUBCHEM:{CID:"8129","Compound Complexity":35.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"Heptan-1-ol","IUPAC Name CAS-like Style":"1-heptanol","IUPAC Name Markup":"Heptan-1-ol","IUPAC Name Preferred":"Heptan-1-ol","IUPAC Name Systematic":"Heptan-1-ol","IUPAC Name Traditional":"Heptan-1-ol",InChI:"1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3",InChIKey:"BBMCTIGTTCKYKF-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":116.12011514,"Molecular Formula":"C7H16O","Molecular Weight":116.2,"Monoisotopic Mass":116.12011514,Charge:0,"Easy Name":"1-Heptanol","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"175.8 °C at 760 mm Hg"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature = 632.5 deg K; Critial pressure = 3.135 MPa"},Density:{Value:"0.8219 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"66.81 kJ/mol at 25 °C"},"Melting Point":{Value:"-34.6 °C"},Odor:{Value:"Fragrant"},"Refractive Index":{Value:"Index of refraction: 1.4249 at 20 degC/D"},Solubility:{Value:"Miscible with alcohol, ether"},Taste:{Value:"PUNGENT, SPICY TASTE"},Uses:{Value:"In the United States, practically the whole production is processed further to phthalates or adipates, used as plasticizers. ... The alcohol mixtures are used as solvents or solubilizers in the paint and printing ink sector, as components in textile auxiliaries and pesticides, for hormone extraction, and in the surfactant field as foam boosters or antifrothing agents. /C7 alcohol mixtures/"},"Vapor Pressure":{Value:"0.2163 mm Hg at 25 °C"},Viscosity:{Value:"7.4 centapoise at 20 °C"}},ReducedFormula:"C7H16O1"},8133:{PUBCHEM:{CID:"8133","Compound Complexity":37.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-butoxyethanol","IUPAC Name CAS-like Style":"2-butoxyethanol","IUPAC Name Markup":"2-butoxyethanol","IUPAC Name Preferred":"2-butoxyethanol","IUPAC Name Systematic":"2-butoxyethanol","IUPAC Name Traditional":"2-butoxyethanol",InChI:"1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",InChIKey:"POAOYUHQDCAZBD-UHFFFAOYSA-N","Log P":.8,"Exact Mass":118.09937969,"Molecular Formula":"C6H14O2","Molecular Weight":118.17,"Monoisotopic Mass":118.09937969,Charge:0,"Easy Name":"2-Butoxyethanol","Easy Category":"Solvents"},HSDB:{"Boiling Point":{Value:"168.4 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 633.9 K; critical pressure: 3.3 MPa"},Density:{Value:"0.9015 at 20 °C"},"Heat Of Vaporization":{Value:"56.59 kJ/mol at 25 °C"},"Melting Point":{Value:"-74.8 °C"},"NFPA Hazard Classification":{Value:"3-2-0"},Odor:{Value:"Mild, ether-like odor"},"Refractive Index":{Value:"Index of refraction: 1.4198 at 20 °C/D"},Solubility:{Value:"Miscible with water"},Uses:{Value:"Both oil base and water base fracturing fluids are being used in the fracturing industry. Water base, which includes alcohol-water mixtures and low strength acids, make up the majority of treating fluids. The common chemicals added to these fluids are polymers for viscosity development, crosslinkers for viscosity enhancement, pH control chemicals, gel breakers for polymer degradation following the treatment, surfactants, clay stabilizers, alcohol, bactericides, fluid loss additives and friction reducer. /Hydraulic fracturing/"},"Vapor Density":{Value:"4.1 (Air = 1)"},"Vapor Pressure":{Value:"0.88 mm Hg at 25 °C"},Viscosity:{Value:"3.15 centistokes at 25 °C"}},ReducedFormula:"C6H14O2"},8141:{PUBCHEM:{CID:"8141","Compound Complexity":33.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"Nonane","IUPAC Name CAS-like Style":"Nonane","IUPAC Name Markup":"Nonane","IUPAC Name Preferred":"Nonane","IUPAC Name Systematic":"Nonane","IUPAC Name Traditional":"Nonane",InChI:"1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3",InChIKey:"BKIMMITUMNQMOS-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"Nonane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"150.47 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 321 °C; critical pressure: 22.6 atm"},Density:{Value:"0.7176 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"46.4 kJ/mol"},"Melting Point":{Value:"-53.47 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Gasoline-like odor"},"Refractive Index":{Value:"Index of refraction: 1.4058 at 20 °C"},Solubility:{Value:"In water, 0.220 mg/L at 25 °C"},Uses:{Value:"Organic synthesis, biodegradable detergents, distallation chaser."},"Vapor Density":{Value:"4.41 (Air = 1)"},"Vapor Pressure":{Value:"4.45 mm Hg at 25 °C /Extrapolated/"},Viscosity:{Value:"0.6696 cP at 25 °C"}},ReducedFormula:"C9H20"},8150:{PUBCHEM:{CID:"8150","Compound Complexity":41.6,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"1-methoxy-2-(2-methoxyethoxy)ethane","IUPAC Name CAS-like Style":"1-methoxy-2-(2-methoxyethoxy)ethane","IUPAC Name Markup":"1-methoxy-2-(2-methoxyethoxy)ethane","IUPAC Name Preferred":"1-methoxy-2-(2-methoxyethoxy)ethane","IUPAC Name Systematic":"1-methoxy-2-(2-methoxyethoxy)ethane","IUPAC Name Traditional":"1-methoxy-2-(2-methoxyethoxy)ethane",InChI:"1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3",InChIKey:"SBZXBUIDTXKZTM-UHFFFAOYSA-N","Log P":-.4,"Exact Mass":134.09429431,"Molecular Formula":"C6H14O3","Molecular Weight":134.17,"Monoisotopic Mass":134.09429431,Charge:0,"Easy Name":"Diglyme","Easy Category":"Ether"},HSDB:{"Boiling Point":{Value:"162 °C at 760 mm Hg; 116 °C at 200 mm Hg; 75 °C at 35 mm Hg; 20 dg C at 3 mm Hg"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"Sp gr: 0.9451 at 20 °C/20 °C"},"Melting Point":{Value:"-68 °C"},"NFPA Hazard Classification":{Value:"1-2-1"},Odor:{Value:"Mild odor"},"Refractive Index":{Value:"Index of refraction: 1.4097 at 20 °C/D"},Solubility:{Value:"Miscible with alcohol, ether, hydrocarbon solvents"},Uses:{Value:"Solvent; reaction medium for Grignard and similar syntheses."},"Vapor Pressure":{Value:"2.96 mm Hg at 25 °C (est)"},Viscosity:{Value:"1.089 cP at 20 °C"}},ReducedFormula:"C6H14O3"},8158:{PUBCHEM:{CID:"8158","Compound Complexity":99.7,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"Nonanoic acid","IUPAC Name CAS-like Style":"Nonanoic acid","IUPAC Name Markup":"Nonanoic acid","IUPAC Name Preferred":"Nonanoic acid","IUPAC Name Systematic":"Nonanoic acid","IUPAC Name Traditional":"Pelargonic acid",InChI:"1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",InChIKey:"FBUKVWPVBMHYJY-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":158.13067982,"Molecular Formula":"C9H18O2","Molecular Weight":158.24,"Monoisotopic Mass":158.13067982,Charge:0,"Easy Name":"Nonanoic acid","Easy Category":"Fatty acid"},HSDB:{"Boiling Point":{Value:"254.5 °C"},"Color And Form":{Value:"Colorless, oily liquid at ordinary temp; crystallizes when cooled"},Density:{Value:"0.9052 g/cu cm at 20 °C"},"Melting Point":{Value:"12.4 °C"},Odor:{Value:"FATTY ODOR"},"Refractive Index":{Value:"Index of refraction: 1.4343 at 20 °C/D"},Solubility:{Value:"Soluble in ethanol, chloroform, ether"},Taste:{Value:"UNPLEASANT TASTE"},Uses:{Value:"For Nonanoic acid (USEPA/OPP Pesticide Code: 217500) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"4.41 (Air = 1)"},"Vapor Pressure":{Value:"1.65X10-3 mm Hg at 25 °C"},Viscosity:{Value:"8.08 mPa.sec at 20 °C"}},ReducedFormula:"C9H18O2"},8164:{PUBCHEM:{CID:"8164","Compound Complexity":110,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"Octyl acetate","IUPAC Name CAS-like Style":"Acetic acid octyl ester","IUPAC Name Markup":"Octyl acetate","IUPAC Name Preferred":"Octyl acetate","IUPAC Name Systematic":"Octyl ethanoate","IUPAC Name Traditional":"Acetic acid octyl ester",InChI:"1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3",InChIKey:"YLYBTZIQSIBWLI-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":172.14632988,"Molecular Formula":"C10H20O2","Molecular Weight":172.26,"Monoisotopic Mass":172.14632988,Charge:0,"Easy Name":"Octyl acetate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C10H20O2"},8177:{PUBCHEM:{CID:"8177","Compound Complexity":66.4,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"2-(2-butoxyethoxy)ethanol","IUPAC Name CAS-like Style":"2-(2-butoxyethoxy)ethanol","IUPAC Name Markup":"2-(2-butoxyethoxy)ethanol","IUPAC Name Preferred":"2-(2-butoxyethoxy)ethanol","IUPAC Name Systematic":"2-(2-butoxyethoxy)ethanol","IUPAC Name Traditional":"2-(2-butoxyethoxy)ethanol",InChI:"1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3",InChIKey:"OAYXUHPQHDHDDZ-UHFFFAOYSA-N","Log P":.6,"Exact Mass":162.12559444,"Molecular Formula":"C8H18O3","Molecular Weight":162.23,"Monoisotopic Mass":162.12559444,Charge:0,"Easy Name":"DEG monobutyl ether","Easy Category":"Ether"},HSDB:{"Boiling Point":{Value:"230.4 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.9553 g/cu cm at 20 °C"},"Melting Point":{Value:"-68.1 °C"},"NFPA Hazard Classification":{Value:"1-2-1"},Odor:{Value:"Faint butyl odor"},pH:{Value:"Neutral"},"Refractive Index":{Value:"Index of refraction: 1.4258 at 27 °C/D"},Solubility:{Value:"Miscible with water at 25 °C"},Uses:{Value:"For diethylene glycol monobutyl ether (USEPA/OPP Pesticide Code: 011502) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"5.6 (Air = 1)"},"Vapor Pressure":{Value:"2.19X10-2 mm Hg at 25 °C"},Viscosity:{Value:"0.0649 cP at 20 °C"}},ReducedFormula:"C8H18O3"},8180:{PUBCHEM:{CID:"8180","Compound Complexity":121,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"Undecanoic acid","IUPAC Name CAS-like Style":"Undecanoic acid","IUPAC Name Markup":"Undecanoic acid","IUPAC Name Preferred":"Undecanoic acid","IUPAC Name Systematic":"Undecanoic acid","IUPAC Name Traditional":"Undecanoic acid",InChI:"1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)",InChIKey:"ZDPHROOEEOARMN-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":186.16197995,"Molecular Formula":"C11H22O2","Molecular Weight":186.29,"Monoisotopic Mass":186.16197995,Charge:0,"Easy Name":"Undecylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C11H22O2"},8182:{PUBCHEM:{CID:"8182","Compound Complexity":56.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"Dodecane","IUPAC Name CAS-like Style":"Dodecane","IUPAC Name Markup":"Dodecane","IUPAC Name Preferred":"Dodecane","IUPAC Name Systematic":"Dodecane","IUPAC Name Traditional":"Dodecane",InChI:"1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3",InChIKey:"SNRUBQQJIBEYMU-UHFFFAOYSA-N","Log P":6.1,"Exact Mass":170.20345084,"Molecular Formula":"C12H26","Molecular Weight":170.33,"Monoisotopic Mass":170.20345084,Charge:0,"Easy Name":"Dodecane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"216.3 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 658.8 K; critical pressure: 1.820 MPa"},Density:{Value:"0.7495 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"44.09 kJ/mol at boiling point; 61.52 kJ/mol at 25 °C"},"Melting Point":{Value:"-9.55 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},"Refractive Index":{Value:"Index of refraction: 1.4216 at 20 °C"},Solubility:{Value:"In water, 3.7X10-3 mg/L at 25 °C"},Uses:{Value:"Solvent, organic synthesis, distillation chaser, jet fuel research"},"Vapor Density":{Value:"5.96 (Air = 1)"},"Vapor Pressure":{Value:"0.135 mm Hg at 25 °C"},Viscosity:{Value:"Less than 32 SUS (Saybolt Universal Seconds)"}},ReducedFormula:"C12H26"},8215:{PUBCHEM:{CID:"8215","Compound Complexity":250,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":20,"IUPAC Name Allowed":"Docosanoic acid","IUPAC Name CAS-like Style":"Docosanoic acid","IUPAC Name Markup":"Docosanoic acid","IUPAC Name Preferred":"Docosanoic acid","IUPAC Name Systematic":"Docosanoic acid","IUPAC Name Traditional":"Behenic acid",InChI:"1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)",InChIKey:"UKMSUNONTOPOIO-UHFFFAOYSA-N","Log P":9.6,"Exact Mass":340.33413066,"Molecular Formula":"C22H44O2","Molecular Weight":340.6,"Monoisotopic Mass":340.33413066,Charge:0,"Easy Name":"Behenic acid","Easy Category":"Fatty acid"},HSDB:{"Boiling Point":{Value:"306 °C at 60 mm Hg"},"Color And Form":{Value:"Waxy solid"},Density:{Value:"0.8221 at 100 °C/4 °C"},"Melting Point":{Value:"79.95 °C"},"Refractive Index":{Value:"Index of refraction: 1.4270 at 100 °C/D"},Solubility:{Value:"0.102 g are sol in 100 g of 90% ethanol at 17 °C;0.218 g are sol in 100 ml of 91.5% ethanol at 25 °C; 0.116 g are sol in 100 ml of 86.2% ethanol at 25 °C; 0.011 g are sol in 100 ml of 63.07% ethanol at 25 °C; 0.1922 g are sol in 100 g of ether at 16 °C"},Uses:{Value:"In lubricating oils, as solvent evaporation retarder in paint removers. Amide as anti-foam in the manufacture of detergents, in floor polishes, in dripless candles"},"Vapor Pressure":{Value:"7.15X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C22H44O2"},8222:{PUBCHEM:{CID:"8222","Compound Complexity":132,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":17,"IUPAC Name Allowed":"Icosane","IUPAC Name CAS-like Style":"Eicosane","IUPAC Name Markup":"Icosane","IUPAC Name Preferred":"Icosane","IUPAC Name Systematic":"Icosane","IUPAC Name Traditional":"Eicosane",InChI:"1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",InChIKey:"CBFCDTFDPHXCNY-UHFFFAOYSA-N","Log P":10.4,"Exact Mass":282.32865135,"Molecular Formula":"C20H42","Molecular Weight":282.5,"Monoisotopic Mass":282.32865135,Charge:0,"Easy Name":"Icosane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"344.1 °C"},"Color And Form":{Value:"Leaflets from alcohol"},Density:{Value:"0.7886 g/cu cm at 20 °C"},"Melting Point":{Value:"36.48 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction = 1.4425 at 20 °C/D"},Solubility:{Value:"In water, 1.9X10-3 mg/L at 25 °C"},"Vapor Pressure":{Value:"4.62X10-6 mm Hg at 25 °C"}},ReducedFormula:"C20H42"},8223:{PUBCHEM:{CID:"8223","Compound Complexity":1220,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name CAS-like Style":"(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-(phenylmethyl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Markup":"(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Preferred":"(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Systematic":"(6aR,9R)-7-methyl-N-[(1S,2S,4R,7S)-4-methyl-2-oxidanyl-5,8-bis(oxidanylidene)-7-(phenylmethyl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Traditional":"(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-diketo-4-methyl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",InChI:"1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1",InChIKey:"XCGSFFUVFURLIX-VFGNJEKYSA-N","Log P":2,"Exact Mass":581.26381925,"Molecular Formula":"C33H35N5O5","Molecular Weight":581.7,"Monoisotopic Mass":581.26381925,Charge:0,"Easy Name":"Ergotamine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Needles from alcohol; prisms from benzene; plates from acetone"},"Melting Point":{Value:"213 °C, decomposes"},Solubility:{Value:"In water, 2.91 mg/L at 25 °C (est)"},Uses:{Value:"Oxytocics; Vasoconstrictor Agents; Serotonin Receptor Agonists; Analgesics, Non-Narcotic; Adrenergic alpha-1 Receptor Agonists"},"Vapor Pressure":{Value:"1.60X10-24 mm Hg at 25 °C (est)"}},ReducedFormula:"C33H35N5O5"},8246:{PUBCHEM:{CID:"8246","Compound Complexity":246,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-ammonium;bromide","IUPAC Name CAS-like Style":"[3-[dimethylamino(oxo)methoxy]phenyl]-trimethylammonium;bromide","IUPAC Name Markup":"[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromide","IUPAC Name Preferred":"[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromide","IUPAC Name Systematic":"[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium;bromide","IUPAC Name Traditional":"[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-ammonium;bromide",InChI:"1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1",InChIKey:"LULNWZDBKTWDGK-UHFFFAOYSA-M","Exact Mass":302.06299,"Molecular Formula":"C12H19BrN2O2","Molecular Weight":303.2,"Monoisotopic Mass":302.06299,Charge:0,"Easy Name":"Neostigmine Bromide","Easy Category":"Organic salt"},HSDB:{Uses:{Value:"MEDICATION (VET)"}},ReducedFormula:"Br1C12H19N2O2"},8252:{PUBCHEM:{CID:"8252","Compound Complexity":7.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Prop-1-ene","IUPAC Name CAS-like Style":"1-propene","IUPAC Name Markup":"Prop-1-ene","IUPAC Name Preferred":"Prop-1-ene","IUPAC Name Systematic":"Prop-1-ene","IUPAC Name Traditional":"Prop-1-ene",InChI:"1S/C3H6/c1-3-2/h3H,1H2,2H3",InChIKey:"QQONPFPTGQHPMA-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":42.046950193,"Molecular Formula":"C3H6","Molecular Weight":42.08,"Monoisotopic Mass":42.046950193,Charge:0,"Easy Name":"Propylene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"-47.68 °C"},"Color And Form":{Value:"Colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 364.9 K; critical pressure: 4.59 MPa"},Density:{Value:"0.5139 at 20 °C/4 °C (liquid)"},"Heat Of Vaporization":{Value:"18.42 kJ/mol at BP"},"Melting Point":{Value:"-185.30 °C"},"NFPA Hazard Classification":{Value:"1-4-1"},Odor:{Value:"Practically odorless; aromatic"},Solubility:{Value:"In water, 200 mg/L at 25 °C"},Uses:{Value:"In polymerized form as polypropylene for plastics and carpet fibers. Chemical intermediate in the manufacture of acetone, isopropylbenzene, isopropanol, isopropyl halides, propylene oxide, acrylonitrile, cumene."},"Vapor Density":{Value:"1.46 (Air = 1.0) at 0 °C"},"Vapor Pressure":{Value:"8.69X10+3 mm Hg at 25 °C /Extrapolated/"},Viscosity:{Value:"83.4 micropoises at 16.7 °C"}},ReducedFormula:"C3H6"},8254:{PUBCHEM:{CID:"8254","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Methoxymethane","IUPAC Name CAS-like Style":"Methoxymethane","IUPAC Name Markup":"Methoxymethane","IUPAC Name Preferred":"Methoxymethane","IUPAC Name Systematic":"Methoxymethane","IUPAC Name Traditional":"Methoxymethane",InChI:"1S/C2H6O/c1-3-2/h1-2H3",InChIKey:"LCGLNKUTAGEVQW-UHFFFAOYSA-N","Log P":.1,"Exact Mass":46.041864813,"Molecular Formula":"C2H6O","Molecular Weight":46.07,"Monoisotopic Mass":46.041864813,Charge:0,"Easy Name":"Dimethyl ether","Easy Category":"Ether"},HSDB:{"Boiling Point":{Value:"-24.82 °C"},"Color And Form":{Value:"COLORLESS GAS @ USUAL TEMP, BUT EASILY CONDENSIBLE"},"Critical Temperature And Pressure":{Value:"Critical Temp: 127 °C; Critical Pressure: 52.6 atm"},Density:{Value:"1.91855 g/L at 1 atm and 25 °C"},"Heat Of Vaporization":{Value:"111.64 cal/g at -24.8 dec C"},"Melting Point":{Value:"-141.5 °C"},"NFPA Hazard Classification":{Value:"2-4-1"},Odor:{Value:"Slight ethereal odor"},"Refractive Index":{Value:"Index of refraction: 1.3441 at -42.5 °C/D"},Solubility:{Value:"1 vol water takes up 37 vol gas"},Uses:{Value:"ROCKET PROPELLANT, ANESTHETIC; STARTER FOR GASOLINE ENGINES IN COLD WEATHER"},"Vapor Density":{Value:"1.6 (Air = 1)"},"Vapor Pressure":{Value:"4450 mm Hg at 25 °C"},Viscosity:{Value:"825 at 0 °C"}},ReducedFormula:"C2H6O1"},8255:{PUBCHEM:{CID:"8255","Compound Complexity":23,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2-methylprop-1-ene","IUPAC Name CAS-like Style":"2-methyl-1-propene","IUPAC Name Markup":"2-methylprop-1-ene","IUPAC Name Preferred":"2-methylprop-1-ene","IUPAC Name Systematic":"2-methylprop-1-ene","IUPAC Name Traditional":"Isobutylene",InChI:"1S/C4H8/c1-4(2)3/h1H2,2-3H3",InChIKey:"VQTUBCCKSQIDNK-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":56.062600258,"Molecular Formula":"C4H8","Molecular Weight":56.11,"Monoisotopic Mass":56.062600258,Charge:0,"Easy Name":"Isobutylene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"-7.0 °C"},"Color And Form":{Value:"Colorless gas"},Density:{Value:"0.589 g/cu cm at 25 °C (p >1 atm)"},"Melting Point":{Value:"-140.7 °C"},"NFPA Hazard Classification":{Value:"2-4-1"},Odor:{Value:"Coal gas odor"},"Refractive Index":{Value:"Index of refraction: 1.3926 at 25 °C"},Solubility:{Value:"In water, 263 mg/L at 25 °C"},Uses:{Value:"Primarily used to produce diisobutylene, trimers, butyl rubber, and other polymers; also to produce antioxidants for foods, packaging, food supplements, and for plastics."},"Vapor Density":{Value:"1.94 (Air = 1)"},"Vapor Pressure":{Value:"2,308 mm Hg at 25 °C"}},ReducedFormula:"C4H8"},8272:{PUBCHEM:{CID:"8272","Compound Complexity":662,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name CAS-like Style":"2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Markup":"2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol","IUPAC Name Preferred":"2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Systematic":"4-[3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-2,6-bis(bromanyl)phenol","IUPAC Name Traditional":"2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]phenol",InChI:"1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H",InChIKey:"UDSAIICHUKSCKT-UHFFFAOYSA-N","Log P":5.8,"Exact Mass":669.69415,"Molecular Formula":"C19H10Br4O5S","Molecular Weight":670,"Monoisotopic Mass":665.69824,Charge:0,"Easy Name":"Bromophenol blue","Easy Category":"Organobromides"},HSDB:{"Color And Form":{Value:"Hexagonal prisms from acetic acid and acetone"},"Melting Point":{Value:"Decomposes at 279 °C (An orange discoloration with formation of a green sublimate sets in at 210 °C)"},Solubility:{Value:"Soluble in acetic acid"},Uses:{Value:"As indicator, pH 3.0 yellow; pH 4.6 purple."},"Vapor Pressure":{Value:"2.70X10-17 mm Hg at 25 °C (est)"}},ReducedFormula:"Br4C19H10O5S1"},8273:{PUBCHEM:{CID:"8273","Compound Complexity":680,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol","IUPAC Name CAS-like Style":"2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol","IUPAC Name Markup":"2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-methylphenol","IUPAC Name Preferred":"2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol","IUPAC Name Systematic":"2-bromanyl-4-[3-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol","IUPAC Name Traditional":"2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol",InChI:"1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3",InChIKey:"ABIUHPWEYMSGSR-UHFFFAOYSA-N","Log P":5.1,"Exact Mass":539.90647,"Molecular Formula":"C21H16Br2O5S","Molecular Weight":540.2,"Monoisotopic Mass":537.90852,Charge:0,"Easy Name":"Bromocresol purple","Easy Category":"Organobromides"},HSDB:{"Color And Form":{Value:"Minute, slightly yellow crystals"},"Melting Point":{Value:"241.5 °C"},Solubility:{Value:"Soluble in alcohol, dilute alkalies"},Uses:{Value:"As indicator, pH 5.2 yellow; pH 6.8 purple"},"Vapor Pressure":{Value:"1.15X10-15 mm Hg at 25 °C (est)"}},ReducedFormula:"Br2C21H16O5S1"},8285:{PUBCHEM:{CID:"8285","Compound Complexity":51.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"2,2-bis(hydroxymethyl)propane-1,3-diol","IUPAC Name CAS-like Style":"2,2-bis(hydroxymethyl)propane-1,3-diol","IUPAC Name Markup":"2,2-bis(hydroxymethyl)propane-1,3-diol","IUPAC Name Preferred":"2,2-bis(hydroxymethyl)propane-1,3-diol","IUPAC Name Systematic":"2,2-bis(hydroxymethyl)propane-1,3-diol","IUPAC Name Traditional":"2,2-dimethylolpropane-1,3-diol",InChI:"1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2",InChIKey:"WXZMFSXDPGVJKK-UHFFFAOYSA-N","Log P":-2.4,"Exact Mass":136.07355887,"Molecular Formula":"C5H12O4","Molecular Weight":136.15,"Monoisotopic Mass":136.07355887,Charge:0,"Easy Name":"Pentaerythritol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"Ditetragonal crystals from dilute hydrochloric acid"},Density:{Value:"1.399 at 25 °C/4 °C"},"Melting Point":{Value:"258 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.548 at 25 °C/D"},Solubility:{Value:"Insoluble in ethyl ether, benzene"},Uses:{Value:"In synthetic resins, in paint and varnish industries"},"Vapor Pressure":{Value:"2.53X10-8 at 25 °C (est)"}},ReducedFormula:"C5H12O4"},8289:{PUBCHEM:{CID:"8289","Compound Complexity":325,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"Triphenyl phosphate","IUPAC Name CAS-like Style":"Phosphoric acid triphenyl ester","IUPAC Name Markup":"Triphenyl phosphate","IUPAC Name Preferred":"Triphenyl phosphate","IUPAC Name Systematic":"Triphenyl phosphate","IUPAC Name Traditional":"Phosphoric acid triphenyl ester",InChI:"1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H",InChIKey:"XZZNDPSIHUTMOC-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":326.07079596,"Molecular Formula":"C18H15O4P","Molecular Weight":326.3,"Monoisotopic Mass":326.07079596,Charge:0,"Easy Name":"Triphenyl phosphate","Easy Category":"Organophosphorus"},HSDB:{"Color And Form":{Value:"Crystals from ligroin; prisms from alcohol; needles from diethyl ether"},"Melting Point":{Value:"49.39 °C"},"NFPA Hazard Classification":{Value:"1-1-0"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.550 at 60 °C"},Solubility:{Value:"In water, 1.9 mg/L at 25 °C"},Uses:{Value:'Noncombustible substitute for camphor in celluloid; rendering acetylcellulose, nitrocellulose, airplane "dope", etc., stable and fireproof; impregnating roofing paper; plasticizer in lacquers and varnishes.'},"Vapor Density":{Value:"1.19 (Air = 1)"},"Vapor Pressure":{Value:"2.00X10-6 mm Hg at 25 °C"}},ReducedFormula:"C18H15O4P1"},8294:{PUBCHEM:{CID:"8294","Compound Complexity":237,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"(1,5-dimethyl-1-vinyl-hex-4-enyl) acetate","IUPAC Name CAS-like Style":"Acetic acid 3,7-dimethylocta-1,6-dien-3-yl ester","IUPAC Name Markup":"3,7-dimethylocta-1,6-dien-3-yl acetate","IUPAC Name Preferred":"3,7-dimethylocta-1,6-dien-3-yl acetate","IUPAC Name Systematic":"3,7-dimethylocta-1,6-dien-3-yl ethanoate","IUPAC Name Traditional":"Acetic acid (1,5-dimethyl-1-vinyl-hex-4-enyl) ester",InChI:"1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3",InChIKey:"UWKAYLJWKGQEPM-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":196.14632988,"Molecular Formula":"C12H20O2","Molecular Weight":196.29,"Monoisotopic Mass":196.14632988,Charge:0,"Easy Name":"Linalyl acetate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"221 °C"},"Color And Form":{Value:"Clear, colorless, oily liquid"},Density:{Value:"0.895 g/cu cm at 20 °C"},"NFPA Hazard Classification":{Value:"2-2-0"},Odor:{Value:"...floral-fruity odor, reminiscent of bergamot and it also has some pear character"},"Refractive Index":{Value:"Index of refraction: 1.4500 at 20 °C (natural); 1.4495-1.4512 at 20 °C (synthetic); optical rotation: -7 deg 42 min to +8 deg 18 min (natural); + or - 0 deg (synthetic)"},Solubility:{Value:"In water, 8.2 mg/L at 25 °C (est)"},Taste:{Value:"Persistent sweet, acrid taste"},Uses:{Value:"Extracts, perfumery, flavoring agent, substitute for petitgrain oil."},"Vapor Pressure":{Value:"0.111 mm Hg at 25 °C"}},ReducedFormula:"C12H20O2"},8301:{PUBCHEM:{CID:"8301","Compound Complexity":55.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,2,2-tetrafluoroethylene","IUPAC Name CAS-like Style":"1,1,2,2-tetrafluoroethene","IUPAC Name Markup":"1,1,2,2-tetrafluoroethene","IUPAC Name Preferred":"1,1,2,2-tetrafluoroethene","IUPAC Name Systematic":"1,1,2,2-tetrakis(fluoranyl)ethene","IUPAC Name Traditional":"1,1,2,2-tetrafluoroethylene",InChI:"1S/C2F4/c3-1(4)2(5)6",InChIKey:"BFKJFAAPBSQJPD-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":99.99361265,"Molecular Formula":"C2F4","Molecular Weight":100.01,"Monoisotopic Mass":99.99361265,Charge:0,"Easy Name":"Tetrafluoroethylene","Easy Category":"Organofluorides"},HSDB:{"Boiling Point":{Value:"-75.9 °C"},"Color And Form":{Value:"Colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature = 33.3 °C; Critical pressure = 3.82 MPa"},Density:{Value:"1.519 g/cu cm at -76 °C"},"Melting Point":{Value:"-131.15 °C"},"NFPA Hazard Classification":{Value:"2-4-3"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 1.59X10+2 mg/L at 25 °C"},Uses:{Value:"In prepn of propellants for food product aerosols"},"Vapor Density":{Value:"3.87 (Air = 1)"},"Vapor Pressure":{Value:"2.45X10+4 mm Hg at 25 °C /extrapolated/"}},ReducedFormula:"C2F4"},8314:{PUBCHEM:{CID:"8314","Compound Complexity":68.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-methylbutanoic acid","IUPAC Name CAS-like Style":"2-methylbutanoic acid","IUPAC Name Markup":"2-methylbutanoic acid","IUPAC Name Preferred":"2-methylbutanoic acid","IUPAC Name Systematic":"2-methylbutanoic acid","IUPAC Name Traditional":"2-methylbutyric acid",InChI:"1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",InChIKey:"WLAMNBDJUVNPJU-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"2-methylbutanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C5H10O2"},8357:{PUBCHEM:{CID:"8357","Compound Complexity":204,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"3,4,5-trimethoxybenzoic acid","IUPAC Name CAS-like Style":"3,4,5-trimethoxybenzoic acid","IUPAC Name Markup":"3,4,5-trimethoxybenzoic acid","IUPAC Name Preferred":"3,4,5-trimethoxybenzoic acid","IUPAC Name Systematic":"3,4,5-trimethoxybenzoic acid","IUPAC Name Traditional":"3,4,5-trimethoxybenzoic acid",InChI:"1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)",InChIKey:"SJSOFNCYXJUNBT-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":212.06847348,"Molecular Formula":"C10H12O5","Molecular Weight":212.2,"Monoisotopic Mass":212.06847348,Charge:0,"Easy Name":"Eudesmic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H12O5"},8365:{PUBCHEM:{CID:"8365","Compound Complexity":156,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Ethyl 2-hydroxybenzoate","IUPAC Name CAS-like Style":"2-hydroxybenzoic acid ethyl ester","IUPAC Name Markup":"Ethyl 2-hydroxybenzoate","IUPAC Name Preferred":"Ethyl 2-hydroxybenzoate","IUPAC Name Systematic":"Ethyl 2-oxidanylbenzoate","IUPAC Name Traditional":"2-hydroxybenzoic acid ethyl ester",InChI:"1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3",InChIKey:"GYCKQBWUSACYIF-UHFFFAOYSA-N","Log P":3,"Exact Mass":166.06299418,"Molecular Formula":"C9H10O3","Molecular Weight":166.17,"Monoisotopic Mass":166.06299418,Charge:0,"Easy Name":"Ethyl salicylate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C9H10O3"},8370:{PUBCHEM:{CID:"8370","Compound Complexity":104,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3,4,5,6-hexachlorobenzene","IUPAC Name CAS-like Style":"1,2,3,4,5,6-hexachlorobenzene","IUPAC Name Markup":"1,2,3,4,5,6-hexachlorobenzene","IUPAC Name Preferred":"1,2,3,4,5,6-hexachlorobenzene","IUPAC Name Systematic":"1,2,3,4,5,6-hexakis(chloranyl)benzene","IUPAC Name Traditional":"1,2,3,4,5,6-hexachlorobenzene",InChI:"1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9",InChIKey:"CKAPSXZOOQJIBF-UHFFFAOYSA-N","Log P":5.7,"Exact Mass":283.810166,"Molecular Formula":"C6Cl6","Molecular Weight":284.8,"Monoisotopic Mass":281.813116,Charge:0,"Easy Name":"Hexachlorobenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"325 °C"},"Color And Form":{Value:"White needles"},Density:{Value:"2.044 g/cu-cm at 23 °C"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of hexachlorobenzene stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this white crystalline substance may occur from its use as a fungicide, and as an intermediate or additive in the production of rubber, polyvinyl chloride, pyrotechnic compositions, dyes, and pentachlorophenol. Effects from exposure may include dermal irritation, CNS excitation, seizures, pneumonitis, and respiratory depression. Also, it should be noted that the EPA Carcinogen Assessment Group has placed hexachlorobenzene on a list of substances that it considers possibly carcinogenic to humans. Likewise, the International Agency for Research on Cancer (IARC) considers the substance to be possibly carcinogenic to humans. In activities or situations where over exposure may occur, wear a self-contained breathing apparatus and protective clothing. If contact should occur, immediately flush affected skin or eyes with running water for at least 15 minutes, and remove contaminated clothing and shoes at the site. While hexachlorobenzene does not ignite easily, it can burn with the production of irritating and poisonous gases. Fires involving hexachlorobenzene may be extinguished with dry chemical, CO2, Halon, water spray, fog, or standard foam. Hexachlorobenzene may be shipped via air, rail, road, and water in containers bearing the label, "Keep away from food". Small spills of hexachlorobenzene may be taken up with sand or other noncombustible material, and placed into containers for later disposal. Large spills should first be diked far ahead of the spill. Hexachlorobenzene is a potential candidate for rotary kiln incineration. Before implementing land disposal of waste hexachlorobenzene, consult with environmental regulatory agencies for guidance.'},"Heat Of Vaporization":{Value:"49 kJ/mol at 20 °C"},"Melting Point":{Value:"228.83 °C"},Solubility:{Value:"In water, 4.7X10-3 mg/L at 25 °C"},Uses:{Value:"For hexachlorobenzene (USEPA/OPP Pesticide Code: 061001) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"9.83 (Air = 1)"},"Vapor Pressure":{Value:"1.72X10-5 mm Hg at 25 °C"}},ReducedFormula:"C6Cl6"},8371:{PUBCHEM:{CID:"8371","Compound Complexity":278,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,3,5,6-tetrachloro-1,4-benzoquinone","IUPAC Name CAS-like Style":"2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione","IUPAC Name Markup":"2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione","IUPAC Name Preferred":"2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione","IUPAC Name Systematic":"2,3,5,6-tetrakis(chloranyl)cyclohexa-2,5-diene-1,4-dione","IUPAC Name Traditional":"2,3,5,6-tetrachloro-p-benzoquinone",InChI:"1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11",InChIKey:"UGNWTBMOAKPKBL-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":245.86229,"Molecular Formula":"C6Cl4O2","Molecular Weight":245.9,"Monoisotopic Mass":243.86524,Charge:0,"Easy Name":"Chloranil","Easy Category":"Fungicide"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"GOLDEN-YELLOW PLATELETS FROM ACETIC ACID OR ACETONE; MONOCLINIC PRISMS FROM BENZENE OR TOLUENE OR BY SUBLIMATION IN VACUO"},Density:{Value:"1.97"},"Melting Point":{Value:"292 °C (SEALED TUBE)"},Solubility:{Value:"ALMOST INSOL IN COLD PETROLEUM ETHER, COLD ALCOHOL; SPARINGLY SOL IN CHLOROFORM, CARBON DISULFIDE, CARBON TETRACHLORIDE; SOLUBLE IN ETHER. INSOLUBLE IN WATER."},Uses:{Value:"IN MFR OF CHLORANIL ELECTRODES FOR PH MEASUREMENTS; TO MFR CMPD USED IN DYE INDUSTRY; AS REAGENT FOR PAMAQUINE (PLASMOCHIN) IN URINE (BLUE COLOR). FUNGICIDE"},"Vapor Pressure":{Value:"5.1X10-6 MM HG @ 25 °C"}},ReducedFormula:"C6Cl4O2"},8373:{PUBCHEM:{CID:"8373","Compound Complexity":131,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-methylbenzoic acid","IUPAC Name CAS-like Style":"2-methylbenzoic acid","IUPAC Name Markup":"2-methylbenzoic acid","IUPAC Name Preferred":"2-methylbenzoic acid","IUPAC Name Systematic":"2-methylbenzoic acid","IUPAC Name Traditional":"O-toluic acid",InChI:"1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)",InChIKey:"ZWLPBLYKEWSWPD-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":136.052429497,"Molecular Formula":"C8H8O2","Molecular Weight":136.15,"Monoisotopic Mass":136.052429497,Charge:0,"Easy Name":"O-Toluic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C8H8O2"},8376:{PUBCHEM:{CID:"8376","Compound Complexity":292,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2-methyl-1,3,5-trinitro-benzene","IUPAC Name CAS-like Style":"2-methyl-1,3,5-trinitrobenzene","IUPAC Name Markup":"2-methyl-1,3,5-trinitrobenzene","IUPAC Name Preferred":"2-methyl-1,3,5-trinitrobenzene","IUPAC Name Systematic":"2-methyl-1,3,5-trinitro-benzene","IUPAC Name Traditional":"2-methyl-1,3,5-trinitro-benzene",InChI:"1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3",InChIKey:"SPSSULHKWOKEEL-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":227.01783489,"Molecular Formula":"C7H5N3O6","Molecular Weight":227.13,"Monoisotopic Mass":227.01783489,Charge:0,"Easy Name":"Trinitrotoluene","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"240 °C (explodes)"},"Color And Form":{Value:"Monoclinic rhombohedra from alc; commercial crystals (needles) are yellow"},Density:{Value:"1.654 at 20 °C/4 °C"},"Melting Point":{Value:"80.1 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 115 mg/L at 23 °C"},Uses:{Value:"2,4,6-Trinitrotoluene is used as a high explosive in military and industrial applications. It has been widely used for filling shells, grenades and airborne demolition bombs, as it is sufficiently insensitive to the shock of ejection from a gun barrel but can be exploded on impact by a detonator mechanism. It has been used either as the pure explosive or in binary mixtures ... Small amounts of 2,4,6-trinitrotoluene have been used for industrial explosive applications, such as deep-well and underwater blasting ..."},"Vapor Density":{Value:"7.85 (Air = 1)"},"Vapor Pressure":{Value:"8.02X10-6 mm Hg at 25 °C"}},ReducedFormula:"C7H5N3O6"},8404:{PUBCHEM:{CID:"8404","Compound Complexity":92.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetralin","IUPAC Name CAS-like Style":"1,2,3,4-tetrahydronaphthalene","IUPAC Name Markup":"1,2,3,4-tetrahydronaphthalene","IUPAC Name Preferred":"1,2,3,4-tetrahydronaphthalene","IUPAC Name Systematic":"1,2,3,4-tetrahydronaphthalene","IUPAC Name Traditional":"Tetralin",InChI:"1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",InChIKey:"CXWXQJXEFPUFDZ-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":132.09390039,"Molecular Formula":"C10H12","Molecular Weight":132.2,"Monoisotopic Mass":132.09390039,Charge:0,"Easy Name":"Tetralin","Easy Category":"Aromatic hydrocarbons"},HSDB:{"Boiling Point":{Value:"207.6 °C @ 760 MM HG"},"Color And Form":{Value:"COLORLESS LIQUID"},Density:{Value:"0.9702 G/ML @ 20 °C/4 °C"},"Heat Of Vaporization":{Value:"76.5 CAL/G"},"Melting Point":{Value:"-35.8 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},Odor:{Value:"ODOR RESEMBLING MIXTURE OF BENZENE & MENTHOL"},pH:{Value:"ACIDITY NEUTRAL"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.54135 @ 20 °C/D; 1.53919 @ 25 °C/D"},Solubility:{Value:"MISCIBLE WITH ETHANOL, BUTANOL, ACETONE, BENZENE, PETROLEUM ETHER, CHLOROFORM, &PETROLEUM ETHER, DECALIN; SOL IN METHANOL: 50.6% WT/WT; INSOL IN WATER."},Uses:{Value:"SOLVENT FOR CAMPHOR, SULFUR & IODINE; IN PAINT THINNERS; AS PAINT REMOVER WHEN MIXED WITH DECALIN OR WHITE SPIRIT; AS INSECTICIDE FOR CLOTHES MOTH; AS SUBSTITUTE FOR TURPENTINE & PETROL IN GERMANY."},"Vapor Density":{Value:"4.6 (AIR= 1)"},"Vapor Pressure":{Value:"0.368 mm Hg at 25 °C, from experimentally derived coefficients"},Viscosity:{Value:"2.012 cP @ 25 °C"}},ReducedFormula:"C10H12"},8406:{PUBCHEM:{CID:"8406","Compound Complexity":165,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-formylbenzoic acid","IUPAC Name CAS-like Style":"2-formylbenzoic acid","IUPAC Name Markup":"2-formylbenzoic acid","IUPAC Name Preferred":"2-formylbenzoic acid","IUPAC Name Systematic":"2-methanoylbenzoic acid","IUPAC Name Traditional":"Phthalaldehydic acid",InChI:"1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)",InChIKey:"DYNFCHNNOHNJFG-UHFFFAOYSA-N","Log P":1,"Exact Mass":150.031694052,"Molecular Formula":"C8H6O3","Molecular Weight":150.13,"Monoisotopic Mass":150.031694052,Charge:0,"Easy Name":"2-formylbenzoic acid","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C8H6O3"},8418:{PUBCHEM:{CID:"8418","Compound Complexity":154,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Anthracene","IUPAC Name CAS-like Style":"Anthracene","IUPAC Name Markup":"Anthracene","IUPAC Name Preferred":"Anthracene","IUPAC Name Systematic":"Anthracene","IUPAC Name Traditional":"Anthracene",InChI:"1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H",InChIKey:"MWPLVEDNUUSJAV-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":178.078250322,"Molecular Formula":"C14H10","Molecular Weight":178.23,"Monoisotopic Mass":178.078250322,Charge:0,"Easy Name":"Anthracene","Easy Category":"Aromatic hydrocarbons"},HSDB:{"Boiling Point":{Value:"341.3 °C"},"Color And Form":{Value:"Monoclinic plates from alcohol recrystallization; when pure, colorless with violet fluorescence"},Density:{Value:"1.25 at 27 °C/4 °C"},"Heat Of Vaporization":{Value:"294 kJ/kg"},"Melting Point":{Value:"216 °C"},"NFPA Hazard Classification":{Value:"1-1-0"},Odor:{Value:"Weak aromatic odor"},Solubility:{Value:"In water, 4.34X10-2 mg/L at 24 °C"},Uses:{Value:"Important source of dyestuffs (manufacturing anthraquinone, alizarin dyes)."},"Vapor Density":{Value:"6.15 (Air = 1.0)"},"Vapor Pressure":{Value:"6.56X10-6 mm Hg at 25 °C (exptrapolated)"}},ReducedFormula:"C14H10"},8420:{PUBCHEM:{CID:"8420","Compound Complexity":291,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Naphthalene-2-sulfonic acid","IUPAC Name CAS-like Style":"2-naphthalenesulfonic acid","IUPAC Name Markup":"Naphthalene-2-sulfonic acid","IUPAC Name Preferred":"Naphthalene-2-sulfonic acid","IUPAC Name Systematic":"Naphthalene-2-sulfonic acid","IUPAC Name Traditional":"Naphthalene-2-sulfonic acid",InChI:"1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)",InChIKey:"KVBGVZZKJNLNJU-UHFFFAOYSA-N","Log P":.6,"Exact Mass":208.01941529,"Molecular Formula":"C10H8O3S","Molecular Weight":208.24,"Monoisotopic Mass":208.01941529,Charge:0,"Easy Name":"2-naphthalenesulfonic acid","Easy Category":"Sulfonic acid"},HSDB:{},ReducedFormula:"C10H8O3S1"},8423:{PUBCHEM:{CID:"8423","Compound Complexity":163,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"1-(3,4-dimethoxyphenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(3,4-dimethoxyphenyl)-2-propanamine","IUPAC Name Markup":"1-(3,4-dimethoxyphenyl)propan-2-amine","IUPAC Name Preferred":"1-(3,4-dimethoxyphenyl)propan-2-amine","IUPAC Name Systematic":"1-(3,4-dimethoxyphenyl)propan-2-amine","IUPAC Name Traditional":"[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amine",InChI:"1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3",InChIKey:"KAZPHAGSWZTKDW-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":195.12592879,"Molecular Formula":"C11H17NO2","Molecular Weight":195.26,"Monoisotopic Mass":195.12592879,Charge:0,"Easy Name":"Dimethoxyamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C11H17N1O2"},8424:{PUBCHEM:{CID:"8424","Compound Complexity":123,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"8-methyl-8-azabicyclo[3.2.1]octan-3-ol","IUPAC Name CAS-like Style":"8-methyl-8-azabicyclo[3.2.1]octan-3-ol","IUPAC Name Markup":"8-methyl-8-azabicyclo[3.2.1]octan-3-ol","IUPAC Name Preferred":"8-methyl-8-azabicyclo[3.2.1]octan-3-ol","IUPAC Name Systematic":"8-methyl-8-azabicyclo[3.2.1]octan-3-ol","IUPAC Name Traditional":"8-methyl-8-azabicyclo[3.2.1]octan-3-ol",InChI:"1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3",InChIKey:"CYHOMWAPJJPNMW-UHFFFAOYSA-N","Log P":.8,"Exact Mass":141.11536411,"Molecular Formula":"C8H15NO","Molecular Weight":141.21,"Monoisotopic Mass":141.11536411,Charge:0,"Easy Name":"3-Tropanol","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C8H15N1O1"},8434:{PUBCHEM:{CID:"8434","Compound Complexity":148,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Ethyl 4-hydroxybenzoate","IUPAC Name CAS-like Style":"4-hydroxybenzoic acid ethyl ester","IUPAC Name Markup":"Ethyl 4-hydroxybenzoate","IUPAC Name Preferred":"Ethyl 4-hydroxybenzoate","IUPAC Name Systematic":"Ethyl 4-oxidanylbenzoate","IUPAC Name Traditional":"Ethylparaben",InChI:"1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",InChIKey:"NUVBSKCKDOMJSU-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":166.06299418,"Molecular Formula":"C9H10O3","Molecular Weight":166.17,"Monoisotopic Mass":166.06299418,Charge:0,"Easy Name":"Ethylparaben","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"297-298 °C (decomposition)"},"Color And Form":{Value:"Small, colorless crystals or powder at room temperature"},"Melting Point":{Value:"117 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 8.85X10+2 mg/L at 25 °C"},Uses:{Value:"For ethylparaben (USEPA/OPP Pesticide Code: 061202) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"9.29X10-5 mm Hg at 25 °C (est)"}},ReducedFormula:"C9H10O3"},8447:{PUBCHEM:{CID:"8447","Compound Complexity":311,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole","IUPAC Name CAS-like Style":"2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole","IUPAC Name Markup":"2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole","IUPAC Name Preferred":"2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole","IUPAC Name Systematic":"2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole","IUPAC Name Traditional":"2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole",InChI:"1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H",InChIKey:"AFZSMODLJJCVPP-UHFFFAOYSA-N","Log P":5.6,"Exact Mass":331.95703296,"Molecular Formula":"C14H8N2S4","Molecular Weight":332.5,"Monoisotopic Mass":331.95703296,Charge:0,"Easy Name":"2, 2'-Dithiobis (benzothiazole)","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"PALE YELLOW NEEDLES FROM BENZENE"},Density:{Value:"1.50"},"Melting Point":{Value:"180 °C"},Odor:{Value:"ODORLESS"},Solubility:{Value:"INSOLUBLE IN WATER; AT 25 °C LESS THAN 0.5 G/100 ML ACETONE OR BENZENE, 0.2 G/100 ML CARBON TETRACHLORIDE, 0.5 G/100 ML NAPHTHA, 0.2 G/100 ML ALCOHOL, 0.2 G/100 ML ETHER; SOMEWHAT MORE SOL IN CHLOROFORM THAN CARBON TETRACHLORIDE"},Uses:{Value:"ACCELERATOR FOR NATURAL RUBBER, STYRENE-BUTADIENE RUBBER, NITRILE-BUTADIENE RUBBER; BUTADIENE RUBBER & FOR SYNTHETIC ISOPRENE RUBBER"}},ReducedFormula:"C14H8N2S4"},8452:{PUBCHEM:{CID:"8452","Compound Complexity":58.3,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclopentanone","IUPAC Name CAS-like Style":"Cyclopentanone","IUPAC Name Markup":"Cyclopentanone","IUPAC Name Preferred":"Cyclopentanone","IUPAC Name Systematic":"Cyclopentanone","IUPAC Name Traditional":"Cyclopentanone",InChI:"1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2",InChIKey:"BGTOWKSIORTVQH-UHFFFAOYSA-N","Log P":.4,"Exact Mass":84.057514878,"Molecular Formula":"C5H8O","Molecular Weight":84.12,"Monoisotopic Mass":84.057514878,Charge:0,"Easy Name":"Cyclopentanone","Easy Category":"Ketone"},HSDB:{"Boiling Point":{Value:"130.6 °C AT 760 MM HG"},"Color And Form":{Value:"WATER-WHITE, MOBILE LIQUID"},Density:{Value:"0.94869 @ 20 °C/4 °C"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of cyclopentanone stem from its toxicologic properties and flammability. Toxic by all routes (ie, inhalation, ingestion, and dermal absorption), exposure to this peppermint-smelling, water-white liquid may occur from its production and use as an intermediate for pharmaceuticals, biologicals, insecticides, and rubber chemicals. Effects from exposure may include contact burns to the skin and eyes, CNS depression, and suffocation. In activities and situations where over-exposure may occur, wear protective clothing and a positive pressure self-contained breathing apparatus. If contact should occur, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes and wash exposed skin thoroughly with soap and water. Contaminated clothing and shoes should be removed and isolated at the site. Cyclopentanone may be ignited by heat, sparks, or flames (flash point: 87 °F, closed cup), and is dangerously reactive with oxidizing materials. Its heavier-than-air vapor may travel to a source of ignition and flash back, or accumulate to explosive concentrations in confined spaces such as sewers. Also, containers of this substance may explode in the heat of a fire. For fires involving cyclopentanone, extinguish with dry chemical, CO2, water spray, fog, or alcohol-resistant foam. Isolate the area for 1/2 mile in all directions if a tank, rail car, or tank truck is involved in the fire. For small spills of cyclopentanone, take up with sand or other noncombustible absorbent and place into containers for later disposal. Large spills should first be diked far ahead of the spill."},"Melting Point":{Value:"-51.3 °C"},"NFPA Hazard Classification":{Value:"2-3-0"},Odor:{Value:"DISTINCTIVE ETHEREAL ODOR, SOMEWHAT LIKE PEPPERMINT"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4366 AT 20 °C; SADTLER REFERENCE NUMBER: 171 (IR, PRISM), 55 (IR, GRATING); MAX ABSORPTION (ALCOHOL): 290 NM (LOG E= 1.28)"},Solubility:{Value:"Sol in alcohol, acetone, ether"},Uses:{Value:"INT FOR PHARMACEUTICALS, BIOLOGICALS, INSECTICIDES, & RUBBER CHEMICALS."},"Vapor Density":{Value:"2.3 (AIR= 1)"},"Vapor Pressure":{Value:"11.4 mm Hg at 25 °C"}},ReducedFormula:"C5H8O1"},8456:{PUBCHEM:{CID:"8456","Compound Complexity":160,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-tert-butyl-4-methoxy-phenol","IUPAC Name CAS-like Style":"2-tert-butyl-4-methoxyphenol","IUPAC Name Markup":"2-tert-butyl-4-methoxyphenol","IUPAC Name Preferred":"2-tert-butyl-4-methoxyphenol","IUPAC Name Systematic":"2-tert-butyl-4-methoxy-phenol","IUPAC Name Traditional":"2-tert-butyl-4-methoxy-phenol",InChI:"1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",InChIKey:"MRBKEAMVRSLQPH-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":180.11502976,"Molecular Formula":"C11H16O2","Molecular Weight":180.24,"Monoisotopic Mass":180.11502976,Charge:0,"Easy Name":"2-tert-Butyl-4-methoxyphenol","Easy Category":"Phenols"},HSDB:{Uses:{Value:"COMPONENT OF BHA (A COMMONLY USED FOOD ADDITIVE)"}},ReducedFormula:"C11H16O2"},8467:{PUBCHEM:{CID:"8467","Compound Complexity":147,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"3-ethoxy-4-hydroxy-benzaldehyde","IUPAC Name CAS-like Style":"3-ethoxy-4-hydroxybenzaldehyde","IUPAC Name Markup":"3-ethoxy-4-hydroxybenzaldehyde","IUPAC Name Preferred":"3-ethoxy-4-hydroxybenzaldehyde","IUPAC Name Systematic":"3-ethoxy-4-oxidanyl-benzaldehyde","IUPAC Name Traditional":"3-ethoxy-4-hydroxy-benzaldehyde",InChI:"1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3",InChIKey:"CBOQJANXLMLOSS-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":166.06299418,"Molecular Formula":"C9H10O3","Molecular Weight":166.17,"Monoisotopic Mass":166.06299418,Charge:0,"Easy Name":"Ethylvanillin","Easy Category":"Aldehyde"},HSDB:{"Boiling Point":{Value:"285 °C"},"Color And Form":{Value:"Fine, crystalline needles"},"Melting Point":{Value:"76.7 °C"},Odor:{Value:"Finer and more intense vanilla"},pH:{Value:"Solutions are acid to litmus"},Solubility:{Value:"In water, 2,822 mg/L at 25 °C"},Taste:{Value:"Sweet"},Uses:{Value:"In flavoring and perfumery"},"Vapor Pressure":{Value:"1.04X10-5 mm Hg at 25 °C"}},ReducedFormula:"C9H10O3"},8468:{PUBCHEM:{CID:"8468","Compound Complexity":168,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"4-hydroxy-3-methoxy-benzoic acid","IUPAC Name CAS-like Style":"4-hydroxy-3-methoxybenzoic acid","IUPAC Name Markup":"4-hydroxy-3-methoxybenzoic acid","IUPAC Name Preferred":"4-hydroxy-3-methoxybenzoic acid","IUPAC Name Systematic":"3-methoxy-4-oxidanyl-benzoic acid","IUPAC Name Traditional":"Vanillic acid",InChI:"1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",InChIKey:"WKOLLVMJNQIZCI-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":168.042258736,"Molecular Formula":"C8H8O4","Molecular Weight":168.15,"Monoisotopic Mass":168.042258736,Charge:0,"Easy Name":"Vanillic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C8H8O4"},8470:{PUBCHEM:{CID:"8470","Compound Complexity":31.7,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Trimethyl borate","IUPAC Name CAS-like Style":"Trimethyl borate","IUPAC Name Markup":"Trimethyl borate","IUPAC Name Preferred":"Trimethyl borate","IUPAC Name Systematic":"Trimethyl borate","IUPAC Name Traditional":"Trimethyl borate",InChI:"1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3",InChIKey:"WRECIMRULFAWHA-UHFFFAOYSA-N","Exact Mass":104.0644743,"Molecular Formula":"C3H9BO3","Molecular Weight":103.92,"Monoisotopic Mass":104.0644743,Charge:0,"Easy Name":"Trimethyl borate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"67.5 °C"},"Color And Form":{Value:"Colorless, moisture-sensitive liquid; fumes in air"},Density:{Value:"0.915 g/cu cm"},"Melting Point":{Value:"-29.3 °C"},"NFPA Hazard Classification":{Value:"1-3-1"},"Refractive Index":{Value:"Index of refraction: 1.3568 at 20 °C/D"},Solubility:{Value:"Miscible with tetrahydrofuran, ether, isoporpylamine, hexane, methanol, nujol, and other organic liquids"},Uses:{Value:"As solvent for waxes, resins, oils; catalyst in manufacture of ketones; analysis of paint and varnish ingredients; as neutron detector gas in presence of a scintillation counter; as promoter of diborane reactions"},"Vapor Density":{Value:"3.59 (Air = 1)"},"Vapor Pressure":{Value:"137 mm Hg at 25 °C"}},ReducedFormula:"B1C3H9O3"},8471:{PUBCHEM:{CID:"8471","Compound Complexity":25.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"N,N-diethylethanamine","IUPAC Name CAS-like Style":"N,N-diethylethanamine","IUPAC Name Markup":"N,N-diethylethanamine","IUPAC Name Preferred":"N,N-diethylethanamine","IUPAC Name Systematic":"N,N-diethylethanamine","IUPAC Name Traditional":"Triethylamine",InChI:"1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3",InChIKey:"ZMANZCXQSJIPKH-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":101.12044949,"Molecular Formula":"C6H15N","Molecular Weight":101.19,"Monoisotopic Mass":101.12044949,Charge:0,"Easy Name":"Triethylamine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"88.8 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 535.6 K; Critical pressure: 3.1 MPa"},Density:{Value:"0.7275 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"34.84 kJ/mol at 25 °C"},"Melting Point":{Value:"-114.7 °C"},"NFPA Hazard Classification":{Value:"3-3-0"},Odor:{Value:"Strong, ammoniacal ordor"},"Refractive Index":{Value:"Index of refraction: 1.4003 at 20 °C/D"},Solubility:{Value:"In water, 6.86X10+4 mg/L at 25 °C"},Uses:{Value:"CHEMICAL INTERMEDIATE; ANTI-LIVERING AGENT FOR UREA & MELAMINE BASED ENAMELS; RECOVERY OF GELLED PAINT VEHICLES; CATALYST FOR POLYURETHANE FOAMS; FLUX FOR COPPER SOLDERING"},"Vapor Density":{Value:"3.49 (Air = 1)"},"Vapor Pressure":{Value:"57.07 mm Hg at 25 °C"},Viscosity:{Value:"0.347 mPa.s at 25 °C"}},ReducedFormula:"C6H15N1"},8473:{PUBCHEM:{CID:"8473","Compound Complexity":103,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bicyclo[2.2.1]hepta-2,5-diene","IUPAC Name CAS-like Style":"Bicyclo[2.2.1]hepta-2,5-diene","IUPAC Name Markup":"Bicyclo[2.2.1]hepta-2,5-diene","IUPAC Name Preferred":"Bicyclo[2.2.1]hepta-2,5-diene","IUPAC Name Systematic":"Bicyclo[2.2.1]hepta-2,5-diene","IUPAC Name Traditional":"Bicyclo[2.2.1]hepta-2,5-diene",InChI:"1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2",InChIKey:"SJYNFBVQFBRSIB-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":92.062600258,"Molecular Formula":"C7H8","Molecular Weight":92.14,"Monoisotopic Mass":92.062600258,Charge:0,"Easy Name":"Norbornadiene","Easy Category":"Diene"},HSDB:{},ReducedFormula:"C7H8"},8479:{PUBCHEM:{CID:"8479","Compound Complexity":211,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"4-aminobenzenesulfonic acid","IUPAC Name CAS-like Style":"4-aminobenzenesulfonic acid","IUPAC Name Markup":"4-aminobenzenesulfonic acid","IUPAC Name Preferred":"4-aminobenzenesulfonic acid","IUPAC Name Systematic":"4-azanylbenzenesulfonic acid","IUPAC Name Traditional":"4-aminobesylic acid",InChI:"1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)",InChIKey:"HVBSAKJJOYLTQU-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":173.01466426,"Molecular Formula":"C6H7NO3S","Molecular Weight":173.19,"Monoisotopic Mass":173.01466426,Charge:0,"Easy Name":"Sulfanilic acid","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"Orthorhombic plates or monoclinic from water"},Density:{Value:"1.485 at 25 °C/4 °C"},"Melting Point":{Value:"288 °C decomposes without melting"},Solubility:{Value:"Insoluble in ethanol and ether"},Uses:{Value:"Manufacture of various dyes and organic chemicals; as reagent in analytical chemistry (Ehrlich's reagent, determination of nitrites)"},"Vapor Pressure":{Value:"1X10-9 mm Hg at 25 deg (est)"}},ReducedFormula:"C6H7N1O3S1"},8496:{PUBCHEM:{CID:"8496","Compound Complexity":179,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Isophthalic acid","IUPAC Name CAS-like Style":"Benzene-1,3-dicarboxylic acid","IUPAC Name Markup":"Benzene-1,3-dicarboxylic acid","IUPAC Name Preferred":"Benzene-1,3-dicarboxylic acid","IUPAC Name Systematic":"Benzene-1,3-dicarboxylic acid","IUPAC Name Traditional":"Isophthalic acid",InChI:"1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)",InChIKey:"QQVIHTHCMHWDBS-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":166.026608672,"Molecular Formula":"C8H6O4","Molecular Weight":166.13,"Monoisotopic Mass":166.026608672,Charge:0,"Easy Name":"Isophthalic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"Crystalline powder"},"Critical Temperature And Pressure":{Value:"Critical temperature = 1007.00 K; Critical pressure = 3.9500X10+6 Pa"},Density:{Value:"1.53 at 4 °C"},"Heat Of Vaporization":{Value:"1.0921X10+8 J/kmol at the melting point of 619.15 K (346 °C)"},"Melting Point":{Value:"347 °C"},Solubility:{Value:"Soluble in 8000 parts cold water, 460 parts boiling water; freely soluble in alcohol; practically insoluble in petroleum ether"},Uses:{Value:"CHEM INT FOR DIPHENYL ISOPHTHALATE"},"Vapor Pressure":{Value:"2.6X10-8 mm Hg at 25 °C(est)"},Viscosity:{Value:"0.00025186 Pa-s at 619.15K (346 °C)"}},ReducedFormula:"C8H6O4"},8497:{PUBCHEM:{CID:"8497","Compound Complexity":198,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-nitrobenzoic acid","IUPAC Name CAS-like Style":"3-nitrobenzoic acid","IUPAC Name Markup":"3-nitrobenzoic acid","IUPAC Name Preferred":"3-nitrobenzoic acid","IUPAC Name Systematic":"3-nitrobenzoic acid","IUPAC Name Traditional":"3-nitrobenzoic acid",InChI:"1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)",InChIKey:"AFPHTEQTJZKQAQ-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":167.021857644,"Molecular Formula":"C7H5NO4","Molecular Weight":167.12,"Monoisotopic Mass":167.021857644,Charge:0,"Easy Name":"3-Nitrobenzoic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Color And Form":{Value:"Monoclinic leaflets or prisms"},Density:{Value:"1.494"},"Melting Point":{Value:"140-141 °C"},Solubility:{Value:"1 g dissolves in 320 mL water, 3 mL alc, 4 mL ether, 18 mL chloroform, about 2 mL methanol, 2.5 mL acetone"},Taste:{Value:"Bitter taste"},Uses:{Value:"Dye intermediate, reagent for alkaloids"},"Vapor Pressure":{Value:"3.71X10-5 mm Hg at 25 °C (est)"}},ReducedFormula:"C7H5N1O4"},8530:{PUBCHEM:{CID:"8530","Compound Complexity":227,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Naphthalene-1,4-dione","IUPAC Name CAS-like Style":"Naphthalene-1,4-dione","IUPAC Name Markup":"Naphthalene-1,4-dione","IUPAC Name Preferred":"Naphthalene-1,4-dione","IUPAC Name Systematic":"Naphthalene-1,4-dione","IUPAC Name Traditional":"1,4-naphthoquinone",InChI:"1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H",InChIKey:"FRASJONUBLZVQX-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":158.036779433,"Molecular Formula":"C10H6O2","Molecular Weight":158.15,"Monoisotopic Mass":158.036779433,Charge:0,"Easy Name":"1, 4-Naphthoquinone","Easy Category":"Quinone"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"Yellow triclinic needles from alcohol or petroleum ether"},Density:{Value:"1.422"},"Melting Point":{Value:"128.5 °C"},Odor:{Value:"Odor like that of benzoquinone"},Solubility:{Value:"Sol in alkali hydroxide soln; sparingly sol in cold water; slightly sol in petroleum ether; freely sol in carbon disulfide, acetic acid, hot alcohol, ether, benzene, and chloroform"},Uses:{Value:"Polymerization regulator for rubber and polyester resins; synthesis of dyes and pharmaceuticals"},"Vapor Pressure":{Value:"2.6 Pa at 50 °C (= 0.0195 mm Hg at 50 °C)"}},ReducedFormula:"C10H6O2"},8549:{PUBCHEM:{CID:"8549","Compound Complexity":457,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(R)-(6-methoxy-4-quinolyl)-[(2S,5R)-5-vinylquinuclidin-2-yl]methanol","IUPAC Name CAS-like Style":"(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol","IUPAC Name Markup":"(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol","IUPAC Name Preferred":"(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol","IUPAC Name Systematic":"(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol","IUPAC Name Traditional":"(R)-(6-methoxy-4-quinolyl)-[(2S,5R)-5-vinylquinuclidin-2-yl]methanol",InChI:"1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19-,20+/m0/s1",InChIKey:"LOUPRKONTZGTKE-VOMFEXJBSA-N","Log P":2.9,"Exact Mass":324.18377802,"Molecular Formula":"C20H24N2O2","Molecular Weight":324.4,"Monoisotopic Mass":324.18377802,Charge:0,"Easy Name":"Quinine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Triboluminescent, orthorhombic needles from absolute alcohol"},"Melting Point":{Value:"177 °C (some decomposition)"},Odor:{Value:"ODORLESS"},pH:{Value:"pH of saturated aqueous solution = 8.8"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.625"},Solubility:{Value:"In water, 500 mg/L at 15 °C"},Taste:{Value:"Very bitter taste"},Uses:{Value:"Medicine (antimalarial) as the alkaloid or as numerous salts and derivatives; flavoring in carbonated beverages"},"Vapor Pressure":{Value:"1.54X10-10 mm Hg at 25 °C (est)"}},ReducedFormula:"C20H24N2O2"},8562:{PUBCHEM:{CID:"8562","Compound Complexity":309,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"4-phenylazonaphthalen-1-amine","IUPAC Name CAS-like Style":"4-phenyldiazenyl-1-naphthalenamine","IUPAC Name Markup":"4-phenyldiazenylnaphthalen-1-amine","IUPAC Name Preferred":"4-phenyldiazenylnaphthalen-1-amine","IUPAC Name Systematic":"4-phenyldiazenylnaphthalen-1-amine","IUPAC Name Traditional":"(4-phenylazo-1-naphthyl)amine",InChI:"1S/C16H13N3/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12/h1-11H,17H2",InChIKey:"IICHURGZQPGTRD-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":247.11094743,"Molecular Formula":"C16H13N3","Molecular Weight":247.29,"Monoisotopic Mass":247.11094743,Charge:0,"Easy Name":"4-Phenyldiazenylnaphthalen-1-amine","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C16H13N3"},8564:{PUBCHEM:{CID:"8564","Compound Complexity":644,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":10,"IUPAC Name Allowed":"6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-benzoic acid","IUPAC Name CAS-like Style":"6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]-1-oxoethyl]-2,3-dimethoxybenzoic acid","IUPAC Name Markup":"6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid","IUPAC Name Preferred":"6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid","IUPAC Name Systematic":"6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]ethanoyl]-2,3-dimethoxy-benzoic acid","IUPAC Name Traditional":"6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-benzoic acid",InChI:"1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)",InChIKey:"DEXMFYZAHXMZNM-UHFFFAOYSA-N","Log P":.5,"Exact Mass":445.17366683,"Molecular Formula":"C23H27NO8","Molecular Weight":445.5,"Monoisotopic Mass":445.17366683,Charge:0,"Easy Name":"Narceine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C23H27N1O8"},8617:{PUBCHEM:{CID:"8617","Compound Complexity":230,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"4-(1H-indol-3-yl)butanoic acid","IUPAC Name CAS-like Style":"4-(1H-indol-3-yl)butanoic acid","IUPAC Name Markup":"4-(1H-indol-3-yl)butanoic acid","IUPAC Name Preferred":"4-(1H-indol-3-yl)butanoic acid","IUPAC Name Systematic":"4-(1H-indol-3-yl)butanoic acid","IUPAC Name Traditional":"4-(1H-indol-3-yl)butyric acid",InChI:"1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)",InChIKey:"JTEDVYBZBROSJT-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":203.09462866,"Molecular Formula":"C12H13NO2","Molecular Weight":203.24,"Monoisotopic Mass":203.09462866,Charge:0,"Easy Name":"Indole-3-butyric acid","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"White to slightly yellow crystals"},"Melting Point":{Value:"124.5 °C"},Odor:{Value:"Essentially odorless"},Solubility:{Value:"In benzene: >1000 g/L; in acetone, ethanol, diethyl ether: 30-100 g/L; in chloroform: 0.01-1 g/L"},Uses:{Value:"For indole-3-butyric acid (USEPA/OPP Pesticide Code: 046701) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.8X10-6 mm Hg @ 25 °C /Estimated/"}},ReducedFormula:"C12H13N1O2"},8651:{PUBCHEM:{CID:"8651","Compound Complexity":230,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,2-diphenylethane-1,2-dione","IUPAC Name CAS-like Style":"1,2-diphenylethane-1,2-dione","IUPAC Name Markup":"1,2-diphenylethane-1,2-dione","IUPAC Name Preferred":"1,2-diphenylethane-1,2-dione","IUPAC Name Systematic":"1,2-diphenylethane-1,2-dione","IUPAC Name Traditional":"Benzil",InChI:"1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H",InChIKey:"WURBFLDFSFBTLW-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":210.068079562,"Molecular Formula":"C14H10O2","Molecular Weight":210.23,"Monoisotopic Mass":210.068079562,Charge:0,"Easy Name":"Benzil","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C14H10O2"},8655:{PUBCHEM:{CID:"8655","Compound Complexity":157,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"4-hydroxy-3,5-dimethoxy-benzaldehyde","IUPAC Name CAS-like Style":"4-hydroxy-3,5-dimethoxybenzaldehyde","IUPAC Name Markup":"4-hydroxy-3,5-dimethoxybenzaldehyde","IUPAC Name Preferred":"4-hydroxy-3,5-dimethoxybenzaldehyde","IUPAC Name Systematic":"3,5-dimethoxy-4-oxidanyl-benzaldehyde","IUPAC Name Traditional":"4-hydroxy-3,5-dimethoxy-benzaldehyde",InChI:"1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3",InChIKey:"KCDXJAYRVLXPFO-UHFFFAOYSA-N","Log P":0,"Exact Mass":182.0579088,"Molecular Formula":"C9H10O4","Molecular Weight":182.17,"Monoisotopic Mass":182.0579088,Charge:0,"Easy Name":"Syringaldehyde","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C9H10O4"},8663:{PUBCHEM:{CID:"8663","Compound Complexity":133,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Naphthalen-2-ol","IUPAC Name CAS-like Style":"2-naphthalenol","IUPAC Name Markup":"Naphthalen-2-ol","IUPAC Name Preferred":"Naphthalen-2-ol","IUPAC Name Systematic":"Naphthalen-2-ol","IUPAC Name Traditional":"2-naphthol",InChI:"1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",InChIKey:"JWAZRIHNYRIHIV-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":144.057514878,"Molecular Formula":"C10H8O","Molecular Weight":144.17,"Monoisotopic Mass":144.057514878,Charge:0,"Easy Name":"2-Naphthol","Easy Category":"Phenols"},HSDB:{"Boiling Point":{Value:"285 °C"},"Color And Form":{Value:"White, lustrious, bulky leaflets or white powder. Darkens with age"},Density:{Value:"1.28 g/cu cm at 20 °C"},"Melting Point":{Value:"121.6 °C"},"NFPA Hazard Classification":{Value:"0-1-0"},Odor:{Value:"Faint phenol-like odor"},Solubility:{Value:"In water, 7.55X10+2 mg/L at 25 °C"},Uses:{Value:"MEDICATION"},"Vapor Pressure":{Value:"3.2X10-4 mm Hg at 25 °C (solid) (Extrapolated using value obtained from Boublik T et al (1984))"}},ReducedFormula:"C10H8O1"},8671:{PUBCHEM:{CID:"8671","Compound Complexity":325,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentacene","IUPAC Name CAS-like Style":"Pentacene","IUPAC Name Markup":"Pentacene","IUPAC Name Preferred":"Pentacene","IUPAC Name Systematic":"Pentacene","IUPAC Name Traditional":"Pentacene",InChI:"1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H",InChIKey:"SLIUAWYAILUBJU-UHFFFAOYSA-N","Log P":6.7,"Exact Mass":278.10955045,"Molecular Formula":"C22H14","Molecular Weight":278.3,"Monoisotopic Mass":278.10955045,Charge:0,"Easy Name":"Pentacene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C22H14"},8711:{PUBCHEM:{CID:"8711","Compound Complexity":163,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Methyl 2-cyanoprop-2-enoate","IUPAC Name CAS-like Style":"2-cyano-2-propenoic acid methyl ester","IUPAC Name Markup":"Methyl 2-cyanoprop-2-enoate","IUPAC Name Preferred":"Methyl 2-cyanoprop-2-enoate","IUPAC Name Systematic":"Methyl 2-cyanoprop-2-enoate","IUPAC Name Traditional":"2-cyanoacrylic acid methyl ester",InChI:"1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3",InChIKey:"MWCLLHOVUTZFKS-UHFFFAOYSA-N","Log P":.6,"Exact Mass":111.032028405,"Molecular Formula":"C5H5NO2","Molecular Weight":111.1,"Monoisotopic Mass":111.032028405,Charge:0,"Easy Name":"Methyl cyanoacrylate","Easy Category":"Nitriles"},HSDB:{"Boiling Point":{Value:"47 °C at 2 mm Hg"},"Color And Form":{Value:"Clear, colorless liquid"},Density:{Value:"1.1012 g/cu cm at 20 °C"},Odor:{Value:"Strong, acrid odor"},"Refractive Index":{Value:"Index of refraction: 1.4430 at 25 °C/D"},Solubility:{Value:"Soluble or partially soluble in methyl ethyl ketone, toluene, DMF /dimethylformamide/, acetone, nitromethane"},Uses:{Value:"Therapy category: tissue adhesive"},"Vapor Pressure":{Value:"0.2 mm Hg at 25 °C"},Viscosity:{Value:"2.2 cP at 25 °C"}},ReducedFormula:"C5H5N1O2"},8723:{PUBCHEM:{CID:"8723","Compound Complexity":27.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-methylbutan-1-ol","IUPAC Name CAS-like Style":"2-methyl-1-butanol","IUPAC Name Markup":"2-methylbutan-1-ol","IUPAC Name Preferred":"2-methylbutan-1-ol","IUPAC Name Systematic":"2-methylbutan-1-ol","IUPAC Name Traditional":"2-methylbutan-1-ol",InChI:"1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",InChIKey:"QPRQEDXDYOZYLA-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":88.08881501,"Molecular Formula":"C5H12O","Molecular Weight":88.15,"Monoisotopic Mass":88.08881501,Charge:0,"Easy Name":"Active amyl alcohol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"128 °C @ 760 MM HG"},"Color And Form":{Value:"COLORLESS LIQ"},Density:{Value:"0.816 @ 20 °C/4 °C"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of 2-methyl-1-butanol stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal absorption), exposure to this colorless liquid may occur from its use as a solvent, as a frothing agent in ore flotation, in lubricants, plasticizers, oils, and paints, and as a chemical intermediate for diamyldithiophosphates, 2-methyl-1-butylamine, esters, and ethers. Effects from exposure may include irritation of the eyes, skin, and mucous membranes, headache, dizziness, giddiness, nausea, cardiac arrhythmias, or pulmonary edema. In activities and situations where over-exposure may occur, wear a self-contained breathing apparatus. If contact should occur, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. This substance must be moderately heated before ignition will occur. If this substance should be involved in a fire, use water to cool the material to below its flash point."},"Melting Point":{Value:"FREEZING POINT: LESS THAN -70 °C"},"NFPA Hazard Classification":{Value:"2-2-0"},Solubility:{Value:"MISCIBLE WITH ALC & ETHER"},Uses:{Value:"SOLVENT; ORGANIC SYNTHESIS (INTRODUCTION OF ACTIVE AMYL GROUP); IN LUBRICANTS, PLASTICIZERS, ADDITIVES FOR OILS & PAINTS."},"Vapor Density":{Value:"3.0 (Air=1)"},"Vapor Pressure":{Value:"3.13 mm Hg at 25 °C"}},ReducedFormula:"C5H12O1"},8742:{PUBCHEM:{CID:"8742","Compound Complexity":222,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid","IUPAC Name CAS-like Style":"(3R,4S,5R)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid","IUPAC Name Markup":"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid","IUPAC Name Preferred":"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid","IUPAC Name Systematic":"(3R,4S,5R)-3,4,5-tris(oxidanyl)cyclohexene-1-carboxylic acid","IUPAC Name Traditional":"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid",InChI:"1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1",InChIKey:"JXOHGGNKMLTUBP-HSUXUTPPSA-N","Log P":-1.7,"Exact Mass":174.05282342,"Molecular Formula":"C7H10O5","Molecular Weight":174.15,"Monoisotopic Mass":174.05282342,Charge:0,"Easy Name":"Shikimic acid","Easy Category":"Hydroxy acids"},HSDB:{"Color And Form":{Value:"Needles from methanol/ethyl acetate"},"Melting Point":{Value:"183-184.5 °C"},Solubility:{Value:"Water solubility = 1.5X10+5 mg/l @ 21 °C"},Uses:{Value:"Active component in the flotation reagent Quebracho; depressant for carbonates, fluorite, and non-sulfides"}},ReducedFormula:"C7H10O5"},8748:{PUBCHEM:{CID:"8748","Compound Complexity":152,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"4-isopropenyl-1-methyl-cyclohexanol","IUPAC Name CAS-like Style":"1-methyl-4-(1-methylethenyl)-1-cyclohexanol","IUPAC Name Markup":"1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol","IUPAC Name Preferred":"1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol","IUPAC Name Systematic":"1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol","IUPAC Name Traditional":"4-isopropenyl-1-methyl-cyclohexanol",InChI:"1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3",InChIKey:"RUJPNZNXGCHGID-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":"Β-Terpineol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C10H18O1"},8749:{PUBCHEM:{CID:"8749","Compound Complexity":128,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"N,N-dimethyl-4-nitroso-aniline","IUPAC Name CAS-like Style":"N,N-dimethyl-4-nitrosoaniline","IUPAC Name Markup":"N,N-dimethyl-4-nitrosoaniline","IUPAC Name Preferred":"N,N-dimethyl-4-nitrosoaniline","IUPAC Name Systematic":"N,N-dimethyl-4-nitroso-aniline","IUPAC Name Traditional":"Dimethyl-(4-nitrosophenyl)amine",InChI:"1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3",InChIKey:"CMEWLCATCRTSGF-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":150.07931295,"Molecular Formula":"C8H10N2O","Molecular Weight":150.18,"Monoisotopic Mass":150.07931295,Charge:0,"Easy Name":"N, N-Dimethyl-4-nitrosoaniline","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"GREEN PLATES OR LEAFLETS"},Density:{Value:"1.145 @ 20 °C"},"Melting Point":{Value:"92.5-93.5 °C"},Solubility:{Value:"INSOL IN WATER; SOL IN ALC, ETHER"},Uses:{Value:"IN PRINTING FABRICS"}},ReducedFormula:"C8H10N2O1"},8750:{PUBCHEM:{CID:"8750","Compound Complexity":46.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;phenoxide","IUPAC Name CAS-like Style":"Sodium;phenoxide","IUPAC Name Markup":"Sodium;phenoxide","IUPAC Name Preferred":"Sodium;phenoxide","IUPAC Name Systematic":"Sodium;phenoxide","IUPAC Name Traditional":"Sodium;phenoxide",InChI:"1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1",InChIKey:"NESLWCLHZZISNB-UHFFFAOYSA-M","Exact Mass":116.02380906,"Molecular Formula":"C6H5NaO","Molecular Weight":116.09,"Monoisotopic Mass":116.02380906,Charge:0,"Easy Name":"Sodium phenolate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6H5Na1O1"},8757:{PUBCHEM:{CID:"8757","Compound Complexity":25.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;triacetate","IUPAC Name CAS-like Style":"Aluminum;triacetate","IUPAC Name Markup":"Aluminum;triacetate","IUPAC Name Preferred":"Aluminum;triacetate","IUPAC Name Systematic":"Aluminum;triethanoate","IUPAC Name Traditional":"Aluminum;triacetate",InChI:"1S/3C2H4O2.Al/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",InChIKey:"WCOATMADISNSBV-UHFFFAOYSA-K","Exact Mass":204.0214514,"Molecular Formula":"C6H9AlO6","Molecular Weight":204.11,"Monoisotopic Mass":204.0214514,Charge:0,"Easy Name":"Aluminium triacetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Al1C6H9O6"},8758:{PUBCHEM:{CID:"8758","Compound Complexity":187,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":6,"IUPAC Name Allowed":"2-[bis(carboxymethyl)amino]acetic acid","IUPAC Name CAS-like Style":"2-[bis(carboxymethyl)amino]acetic acid","IUPAC Name Markup":"2-[bis(carboxymethyl)amino]acetic acid","IUPAC Name Preferred":"2-[bis(carboxymethyl)amino]acetic acid","IUPAC Name Systematic":"2-[bis(2-hydroxy-2-oxoethyl)amino]ethanoic acid","IUPAC Name Traditional":"2-[bis(carboxymethyl)amino]acetic acid",InChI:"1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)",InChIKey:"MGFYIUFZLHCRTH-UHFFFAOYSA-N","Log P":-3.2,"Exact Mass":191.04298701,"Molecular Formula":"C6H9NO6","Molecular Weight":191.14,"Monoisotopic Mass":191.04298701,Charge:0,"Easy Name":"Nitrilotriacetic acid","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"Prismatic crystals from hot water"},Density:{Value:"GREATER THAN 1 AT 20 °C /SOLID/"},"Melting Point":{Value:"242 °C dec"},pH:{Value:"pH of saturated aqueous solution = 2.3"},Solubility:{Value:"Slightly soluble in DMSO-d6; soluble in ethanol"},Uses:{Value:"Builder in synthetic detergents"},"Vapor Pressure":{Value:"7X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C6H9N1O6"},8759:{PUBCHEM:{CID:"8759","Compound Complexity":336,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":2,"Rotatable Bond":9,"IUPAC Name Allowed":"Disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate","IUPAC Name CAS-like Style":"Disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate","IUPAC Name Markup":"Disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate","IUPAC Name Preferred":"Disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate","IUPAC Name Systematic":"Disodium;2-[2-hydroxy-2-oxoethyl-[2-[2-hydroxy-2-oxoethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate","IUPAC Name Traditional":"Disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate",InChI:"1S/C10H16N2O8.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2",InChIKey:"ZGTMUACCHSMWAC-UHFFFAOYSA-L","Exact Mass":336.05455398,"Molecular Formula":"C10H14N2Na2O8","Molecular Weight":336.21,"Monoisotopic Mass":336.05455398,Charge:0,"Easy Name":"Disodium EDTA","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"White crystalline powder"},Solubility:{Value:"In water, 1.0X10+6 mg/L (miscible) at 25 °C (est)"},"Vapor Pressure":{Value:"7.57X10-17 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H14N2Na2O8"},8774:{PUBCHEM:{CID:"8774","Compound Complexity":276,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":6,"Rotatable Bond":2,"IUPAC Name Allowed":"2-amino-4-(3-amino-4-hydroxy-phenyl)arsanylidenearsanyl-phenol;dihydrochloride","IUPAC Name CAS-like Style":"2-amino-4-(3-amino-4-hydroxyphenyl)arsinylidenearsinylphenol;dihydrochloride","IUPAC Name Markup":"2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride","IUPAC Name Preferred":"2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride","IUPAC Name Systematic":"2-azanyl-4-(3-azanyl-4-oxidanyl-phenyl)arsanylidenearsanyl-phenol;dihydrochloride","IUPAC Name Traditional":"2-amino-4-(3-amino-4-hydroxy-phenyl)arsinylidenearsinyl-phenol;dihydrochloride",InChI:"1S/C12H12As2N2O2.2ClH/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8;;/h1-6,17-18H,15-16H2;2*1H",InChIKey:"VLAXZGHHBIJLAD-UHFFFAOYSA-N","Exact Mass":437.88642,"Molecular Formula":"C12H14As2Cl2N2O2","Molecular Weight":439,"Monoisotopic Mass":437.88642,Charge:0,"Easy Name":"Arsphenamine dihydrochloride","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"As2C12Cl2H14N2O2"},8785:{PUBCHEM:{CID:"8785","Compound Complexity":126,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Benzyl acetate","IUPAC Name CAS-like Style":"Acetic acid (phenylmethyl) ester","IUPAC Name Markup":"Benzyl acetate","IUPAC Name Preferred":"Benzyl acetate","IUPAC Name Systematic":"(phenylmethyl) ethanoate","IUPAC Name Traditional":"Acetic acid benzyl ester",InChI:"1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3",InChIKey:"QUKGYYKBILRGFE-UHFFFAOYSA-N","Log P":2,"Exact Mass":150.068079562,"Molecular Formula":"C9H10O2","Molecular Weight":150.17,"Monoisotopic Mass":150.068079562,Charge:0,"Easy Name":"Benzyl acetate","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"213 °C"},"Color And Form":{Value:"WATER-WHITE LIQUID"},Density:{Value:"1.050 @ 25 °C/4 °C"},"Melting Point":{Value:"-51 °C"},"NFPA Hazard Classification":{Value:"1-1-0"},Odor:{Value:"PEAR-LIKE ODOR"},"Refractive Index":{Value:"INDICES OF REFRACTION: 1.5232 @ 20 °C/D; 1.4998 @ 25 °C/D"},Solubility:{Value:"PRACTICALLY INSOL IN WATER; MISCIBLE WITH ALCOHOL, ETHER"},Taste:{Value:"BITTER, PUNGENT TASTE"},Uses:{Value:"In perfumery, solvent for cellulose acetate and nitrate."},"Vapor Density":{Value:"5.1 (AIR= 1)"},"Vapor Pressure":{Value:"0.177 mm Hg at 25 °C /from experimentally-derived coefficients/"}},ReducedFormula:"C9H10O2"},8789:{PUBCHEM:{CID:"8789","Compound Complexity":223,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"1,3-dianilinourea","IUPAC Name CAS-like Style":"1,3-dianilinourea","IUPAC Name Markup":"1,3-dianilinourea","IUPAC Name Preferred":"1,3-dianilinourea","IUPAC Name Systematic":"1,3-bis(phenylazanyl)urea","IUPAC Name Traditional":"1,3-dianilinourea",InChI:"1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)",InChIKey:"KSPIHGBHKVISFI-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":242.11676109,"Molecular Formula":"C13H14N4O","Molecular Weight":242.28,"Monoisotopic Mass":242.11676109,Charge:0,"Easy Name":"1, 5-Diphenylcarbazide","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C13H14N4O1"},8794:{PUBCHEM:{CID:"8794","Compound Complexity":114,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-phenylacetonitrile","IUPAC Name CAS-like Style":"2-phenylacetonitrile","IUPAC Name Markup":"2-phenylacetonitrile","IUPAC Name Preferred":"2-phenylacetonitrile","IUPAC Name Systematic":"2-phenylethanenitrile","IUPAC Name Traditional":"2-phenylacetonitrile",InChI:"1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2",InChIKey:"SUSQOBVLVYHIEX-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":117.05784923,"Molecular Formula":"C8H7N","Molecular Weight":117.15,"Monoisotopic Mass":117.05784923,Charge:0,"Easy Name":"2-Phenylacetonitrile","Easy Category":"Nitriles"},HSDB:{"Boiling Point":{Value:"233.5 °C"},"Color And Form":{Value:"Colorless oily liquid"},Density:{Value:"1.0205"},"Melting Point":{Value:"-23.8 °C"},"NFPA Hazard Classification":{Value:"3-1-0"},Odor:{Value:"Aromatic odor"},"Refractive Index":{Value:"Index of refraction: 1.52105 @ 25 °C/D"},Solubility:{Value:"Miscible with oxygenated solvents."},Uses:{Value:"Organic synthesis; especially penicillin precursors"},"Vapor Pressure":{Value:"0.089 mm Hg at 25 °C /Extrapolated/"}},ReducedFormula:"C8H7N1"},8842:{PUBCHEM:{CID:"8842","Compound Complexity":112,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"3,7-dimethyloct-6-en-1-ol","IUPAC Name CAS-like Style":"3,7-dimethyl-6-octen-1-ol","IUPAC Name Markup":"3,7-dimethyloct-6-en-1-ol","IUPAC Name Preferred":"3,7-dimethyloct-6-en-1-ol","IUPAC Name Systematic":"3,7-dimethyloct-6-en-1-ol","IUPAC Name Traditional":"3,7-dimethyloct-6-en-1-ol",InChI:"1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",InChIKey:"QMVPMAAFGQKVCJ-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":156.15141526,"Molecular Formula":"C10H20O","Molecular Weight":156.26,"Monoisotopic Mass":156.15141526,Charge:0,"Easy Name":"Citronellol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"224 °C"},"Color And Form":{Value:"Colorless oily liquid"},Density:{Value:"0.8550 g/cu cm at 20 °C"},"Melting Point":{Value:"<-20 °C"},Odor:{Value:"Fresh rosy odor"},"Refractive Index":{Value:"Index of refraction: 1.4559 at 20 °C"},Solubility:{Value:"In water, 200 mg/L at 25 °C"},Taste:{Value:"Bitter taste /d-Citronellol/; sweet, peach-like flavor /l-citronellol/"},Uses:{Value:"For citronellol (USEPA/OPP Pesticide Code: 167004) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"0.02 mm Hg at 25 °C"},Viscosity:{Value:"11.1 mPa s (dynamic) at 20 °C; 5.33 mPa s (dynamic) at 40 °C"}},ReducedFormula:"C10H20O1"},8843:{PUBCHEM:{CID:"8843","Compound Complexity":171,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"3,7-dimethylocta-2,6-dienal","IUPAC Name CAS-like Style":"3,7-dimethylocta-2,6-dienal","IUPAC Name Markup":"3,7-dimethylocta-2,6-dienal","IUPAC Name Preferred":"3,7-dimethylocta-2,6-dienal","IUPAC Name Systematic":"3,7-dimethylocta-2,6-dienal","IUPAC Name Traditional":"3,7-dimethylocta-2,6-dienal",InChI:"1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",InChIKey:"WTEVQBCEXWBHNA-UHFFFAOYSA-N","Log P":3,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":"Citral","Easy Category":"Aldehyde"},HSDB:{"Boiling Point":{Value:"229 °C"},"Color And Form":{Value:"Mobile pale yellow liquid"},Density:{Value:"0.891-0.897 at 15 °C"},"Melting Point":{Value:"Melting point <-10 °C."},"NFPA Hazard Classification":{Value:"2-1-0"},Odor:{Value:"Strong lemon odor"},pH:{Value:"ACID VALUE: 5.0 MAX"},"Refractive Index":{Value:"Index of refraction = 1.4860-1.4900 at 20 °C, not optically active"},Solubility:{Value:"Soluble in 5 volumes of 60% alcohol; soluble in all proportions of benzyl benzoate, diethyl phthalate, glycerin, propylene glycol, mineral oil, fixed oils, and 95% alcohol."},Taste:{Value:"Taste threshold values: Detection: 28 to 120 ppb; alpha-citral, 32 to 460 ppb; beta-citral, 30 to 460 ppb."},Uses:{Value:"Reported uses (FEMA, 1994): Alcoholic and nonalcoholic beverages, baked goods, cheese, chewing gum, condiment (relish), frozen dairy, gelatin (pudding), gravies, hard and soft candy, meat products."},"Vapor Pressure":{Value:"9.13X10-2 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H16O1"},8857:{PUBCHEM:{CID:"8857","Compound Complexity":49.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Ethyl acetate","IUPAC Name CAS-like Style":"Acetic acid ethyl ester","IUPAC Name Markup":"Ethyl acetate","IUPAC Name Preferred":"Ethyl acetate","IUPAC Name Systematic":"Ethyl ethanoate","IUPAC Name Traditional":"Acetic acid ethyl ester",InChI:"1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",InChIKey:"XEKOWRVHYACXOJ-UHFFFAOYSA-N","Log P":.7,"Exact Mass":88.052429497,"Molecular Formula":"C4H8O2","Molecular Weight":88.11,"Monoisotopic Mass":88.052429497,Charge:0,"Easy Name":"Ethyl acetate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"77.1 °C"},"Color And Form":{Value:"Clear, volatile"},"Critical Temperature And Pressure":{Value:"Critical temperature: 523.7 K; critical pressure: 3.88 MPa"},Density:{Value:"0.9003 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"35.60 kJ/mol at 25 °C"},"Melting Point":{Value:"-83.8 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"CHARACTERISTIC ETHER-LIKE ODOR REMINISCENT OF PINEAPPLE."},"Refractive Index":{Value:"Index of refraction = 1.3723 at 20 °C/D"},Solubility:{Value:"In water, 8.0X10+4 mg/L at 25 °C"},Taste:{Value:"Pleasant taste when diluted"},Uses:{Value:"For ethyl acetate (USEPA/OPP Pesticide Code: 044003) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"3.04 (Air = 1)"},"Vapor Pressure":{Value:"93.2 mm Hg at 25 °C"},Viscosity:{Value:"0.423 mPa.s at 25 °C"}},ReducedFormula:"C4H8O2"},8868:{PUBCHEM:{CID:"8868","Compound Complexity":118,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Ethyl 3-oxobutanoate","IUPAC Name CAS-like Style":"3-oxobutanoic acid ethyl ester","IUPAC Name Markup":"Ethyl 3-oxobutanoate","IUPAC Name Preferred":"Ethyl 3-oxobutanoate","IUPAC Name Systematic":"Ethyl 3-oxidanylidenebutanoate","IUPAC Name Traditional":"3-ketobutyric acid ethyl ester",InChI:"1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3",InChIKey:"XYIBRDXRRQCHLP-UHFFFAOYSA-N","Log P":.2,"Exact Mass":130.06299418,"Molecular Formula":"C6H10O3","Molecular Weight":130.14,"Monoisotopic Mass":130.06299418,Charge:0,"Easy Name":"Ethyl acetoacetate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"180.8 °C AT 760 MM HG"},"Color And Form":{Value:"COLORLESS LIQUID"},Density:{Value:"1.0282 AT 20 °C/4 °C"},"Melting Point":{Value:"-45 °C"},Odor:{Value:"PLEASANT GREEN, FRUITY, RUM ODOR"},"Refractive Index":{Value:"MAX ABSORPTION (ALCOHOL): 248 NM (LOG E= 3.2); INDEX OF REFRACTION: 1.4194 AT 20 °C/D; SADTLER REFERENCE NUMBER: 101 (IR, PRISM)"},Solubility:{Value:"SOL IN ABOUT 35 PARTS WATER"},Taste:{Value:"RIPE FRUIT TASTE"},Uses:{Value:"FLAVORING AGENT IN FOOD"},"Vapor Density":{Value:"4.48"},"Vapor Pressure":{Value:"0.78 MM HG AT 25 °C"}},ReducedFormula:"C6H10O3"},8870:{PUBCHEM:{CID:"8870","Compound Complexity":46.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Aniline;hydrochloride","IUPAC Name CAS-like Style":"Aniline;hydrochloride","IUPAC Name Markup":"Aniline;hydrochloride","IUPAC Name Preferred":"Aniline;hydrochloride","IUPAC Name Systematic":"Aniline;hydrochloride","IUPAC Name Traditional":"Phenylamine;hydrochloride",InChI:"1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H",InChIKey:"MMCPOSDMTGQNKG-UHFFFAOYSA-N","Exact Mass":129.034527,"Molecular Formula":"C6H8ClN","Molecular Weight":129.59,"Monoisotopic Mass":129.034527,Charge:0,"Easy Name":"Anilinium chloride","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C6Cl1H8N1"},8881:{PUBCHEM:{CID:"8881","Compound Complexity":12.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,3-dichloropropane","IUPAC Name CAS-like Style":"1,3-dichloropropane","IUPAC Name Markup":"1,3-dichloropropane","IUPAC Name Preferred":"1,3-dichloropropane","IUPAC Name Systematic":"1,3-bis(chloranyl)propane","IUPAC Name Traditional":"1,3-dichloropropane",InChI:"1S/C3H6Cl2/c4-2-1-3-5/h1-3H2",InChIKey:"YHRUOJUYPBUZOS-UHFFFAOYSA-N","Log P":2,"Exact Mass":111.9846556,"Molecular Formula":"C3H6Cl2","Molecular Weight":112.98,"Monoisotopic Mass":111.9846556,Charge:0,"Easy Name":"1, 3-Dichloropropane","Easy Category":"Organochlorides"},HSDB:{"Boiling Point":{Value:"120.4 °C @ 760 mm Hg"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical pressure: 41.75 atm"},Density:{Value:"1.1876 @ 20 °C/4 °C"},"Heat Of Vaporization":{Value:"At boiling point 71.71 cal/g"},"Melting Point":{Value:"-99.5 °C"},Odor:{Value:"Sweet"},"Refractive Index":{Value:"Index of refraction: 1.4487 @ 20 °C/D"},Solubility:{Value:"Sol in benzene, chloroform, alcohol, ether"},"Vapor Density":{Value:"3.90 (air= 1)"},"Vapor Pressure":{Value:"18.2 mm Hg @ 25 °C"}},ReducedFormula:"C3Cl2H6"},8882:{PUBCHEM:{CID:"8882","Compound Complexity":38,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclopentene","IUPAC Name CAS-like Style":"Cyclopentene","IUPAC Name Markup":"Cyclopentene","IUPAC Name Preferred":"Cyclopentene","IUPAC Name Systematic":"Cyclopentene","IUPAC Name Traditional":"Cyclopentene",InChI:"1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",InChIKey:"LPIQUOYDBNQMRZ-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":68.062600258,"Molecular Formula":"C5H8","Molecular Weight":68.12,"Monoisotopic Mass":68.062600258,Charge:0,"Easy Name":"Cyclopentene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C5H8"},8892:{PUBCHEM:{CID:"8892","Compound Complexity":68.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"Hexanoic acid","IUPAC Name CAS-like Style":"Hexanoic acid","IUPAC Name Markup":"Hexanoic acid","IUPAC Name Preferred":"Hexanoic acid","IUPAC Name Systematic":"Hexanoic acid","IUPAC Name Traditional":"Hexanoic acid",InChI:"1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)",InChIKey:"FUZZWVXGSFPDMH-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":116.08372963,"Molecular Formula":"C6H12O2","Molecular Weight":116.16,"Monoisotopic Mass":116.08372963,Charge:0,"Easy Name":"Hexanoic acid","Easy Category":"Fatty acid"},HSDB:{"Boiling Point":{Value:"205.8 °C"},"Color And Form":{Value:"Oily liquid"},Density:{Value:"0.929 at 20 °C/4 °C"},"Melting Point":{Value:"-3.4 °C"},"NFPA Hazard Classification":{Value:"3-1-0"},Odor:{Value:"Characteristic goat-like odor"},"Refractive Index":{Value:"Index of refraction: 1.4170 at 20 C/D"},Solubility:{Value:"In water, 1.03X10+4 mg/L at 25 °C"},Uses:{Value:"... Lures for Coleoptera include caproic acid for the green June beetle, Cotinus nitida."},"Vapor Density":{Value:"4.01 (Air = 1)"},"Vapor Pressure":{Value:"0.0435 mm at 25 °C (est)"},Viscosity:{Value:"3.23 mPa.s at 20 °C"}},ReducedFormula:"C6H12O2"},8895:{PUBCHEM:{CID:"8895","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper;diacetate","IUPAC Name CAS-like Style":"Copper;diacetate","IUPAC Name Markup":"Copper;diacetate","IUPAC Name Preferred":"Copper;diacetate","IUPAC Name Systematic":"Copper;diethanoate","IUPAC Name Traditional":"Cupric;diacetate",InChI:"1S/2C2H4O2.Cu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"OPQARKPSCNTWTJ-UHFFFAOYSA-L","Exact Mass":180.956206,"Molecular Formula":"C4H6CuO4","Molecular Weight":181.63,"Monoisotopic Mass":180.956206,Charge:0,"Easy Name":"Copper (II) acetate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"Blue-green hydroscopic powder"},Uses:{Value:"Intermediate in manufacture of Paris Green; as fungicide /former/; as catalyst for organic reactions, incl rubber aging; in textile dyeing; as pigment for ceramics"}},ReducedFormula:"C4Cu1H6O4"},8896:{PUBCHEM:{CID:"8896","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;diacetate","IUPAC Name CAS-like Style":"Magnesium;diacetate","IUPAC Name Markup":"Magnesium;diacetate","IUPAC Name Preferred":"Magnesium;diacetate","IUPAC Name Systematic":"Magnesium;diethanoate","IUPAC Name Traditional":"Magnesium;diacetate",InChI:"1S/2C2H4O2.Mg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"UEGPKNKPLBYCNK-UHFFFAOYSA-L","Exact Mass":142.0116504,"Molecular Formula":"C4H6MgO4","Molecular Weight":142.39,"Monoisotopic Mass":142.0116504,Charge:0,"Easy Name":"Magnesium acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C4H6Mg1O4"},8900:{PUBCHEM:{CID:"8900","Compound Complexity":19.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Heptane","IUPAC Name CAS-like Style":"Heptane","IUPAC Name Markup":"Heptane","IUPAC Name Preferred":"Heptane","IUPAC Name Systematic":"Heptane","IUPAC Name Traditional":"N-heptane",InChI:"1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",InChIKey:"IMNFDUFMRHMDMM-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":100.12520052,"Molecular Formula":"C7H16","Molecular Weight":100.2,"Monoisotopic Mass":100.12520052,Charge:0,"Easy Name":"Heptane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"98.38 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 540.1 K; critical pressure: 2.74 MPa; critical volume: 428 cu cm/mole"},Density:{Value:"0.6795 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"36.57 kJ/mol at 25 °C"},"Melting Point":{Value:"-90.549 °C"},Odor:{Value:"Gasoline-like odor"},"Refractive Index":{Value:"Index of refraction = 1.3855 at 25 °C"},Solubility:{Value:"In water, 3.40 mg/L at 25 °C"},Uses:{Value:"Standard for octane-rating determinations (pure normal heptane has zero octane number) anesthetic, solvent, organic synthesis, preparation of laboratory reagents."},"Vapor Density":{Value:"3.45 (Air = 1)"},"Vapor Pressure":{Value:"4.60X10+1 mm Hg at 25 °C /Extrapolated/"}},ReducedFormula:"C7H16"},8914:{PUBCHEM:{CID:"8914","Compound Complexity":52.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"Nonan-1-ol","IUPAC Name CAS-like Style":"1-nonanol","IUPAC Name Markup":"Nonan-1-ol","IUPAC Name Preferred":"Nonan-1-ol","IUPAC Name Systematic":"Nonan-1-ol","IUPAC Name Traditional":"Nonan-1-ol",InChI:"1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",InChIKey:"ZWRUINPWMLAQRD-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":144.15141526,"Molecular Formula":"C9H20O","Molecular Weight":144.25,"Monoisotopic Mass":144.15141526,Charge:0,"Easy Name":"1-Nonanol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"213.3 °C"},"Color And Form":{Value:"Colorless to yellowish liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature = 671.5 K; Critial pressure = 2.63 MPa"},Density:{Value:"0.8279 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"76.86 kJ/mol at 25 °C"},"Melting Point":{Value:"-5 °C"},Odor:{Value:"Floral odor"},"Refractive Index":{Value:"Index of refraction = 1.4338 at 20 °C/D"},Solubility:{Value:"Miscible with alcohol, ether"},Uses:{Value:"Perfumery, flavoring (lemon oil)"},"Vapor Pressure":{Value:"0.0227 mm Hg at 25 °C (est)"},Viscosity:{Value:"11.7 centapoise at 20 °C"}},ReducedFormula:"C9H20O1"},8929:{PUBCHEM:{CID:"8929","Compound Complexity":12.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;cyanide","IUPAC Name CAS-like Style":"Sodium;cyanide","IUPAC Name Markup":"Sodium;cyanide","IUPAC Name Preferred":"Sodium;cyanide","IUPAC Name Systematic":"Sodium;cyanide","IUPAC Name Traditional":"Sodium;cyanide",InChI:"1S/CN.Na/c1-2;/q-1;+1",InChIKey:"MNWBNISUBARLIT-UHFFFAOYSA-N","Exact Mass":48.99284329,"Molecular Formula":"CNNa","Molecular Weight":49.007,"Monoisotopic Mass":48.99284329,Charge:0,"Easy Name":"Sodium cyanide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1496 °C"},"Color And Form":{Value:"White cubic crystals"},Density:{Value:"1.595 g/cu cm @ 20 °C"},"Heat Of Vaporization":{Value:"3041 J/g"},"Melting Point":{Value:"563 °C"},"NFPA Hazard Classification":{Value:"3-0-0"},Odor:{Value:"Odorless when perfectly dry, emits odor of hydrogen cyanide when damp"},pH:{Value:"Aq soln strongly alkaline"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.452"},Solubility:{Value:"48 G/100 CC WATER @ 10 °C"},Uses:{Value:"/Former use/ Fumigating citrus and other fruit trees, ships, railway cars, warehouses"},"Vapor Pressure":{Value:"1 mm Hg @ 817 °C; 10 mm Hg @ 983 °C"},Viscosity:{Value:"4 cP @ 30 °C (26% aqueous soln)"}},ReducedFormula:"C1N1Na1"},8934:{PUBCHEM:{CID:"8934","Compound Complexity":301,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Tetraphenylboranuide","IUPAC Name CAS-like Style":"Tetraphenylboranuide","IUPAC Name Markup":"Tetraphenylboranuide","IUPAC Name Preferred":"Tetraphenylboranuide","IUPAC Name Systematic":"Tetraphenylboranuide","IUPAC Name Traditional":"Tetraphenylboranuide",InChI:"1S/C24H20B/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q-1",InChIKey:"SVHQOIWIRUVWII-UHFFFAOYSA-N","Exact Mass":319.1658058,"Molecular Formula":"C24H20B-","Molecular Weight":319.2,"Monoisotopic Mass":319.1658058,Charge:-1,"Easy Name":"Tetraphenylborate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1B1C24H20"},8949:{PUBCHEM:{CID:"8949","Compound Complexity":216,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Magnesium;3-carboxy-3-hydroxy-pentanedioate","IUPAC Name CAS-like Style":"Magnesium;3-carboxy-3-hydroxypentanedioate","IUPAC Name Markup":"Magnesium;3-carboxy-3-hydroxypentanedioate","IUPAC Name Preferred":"Magnesium;3-carboxy-3-hydroxypentanedioate","IUPAC Name Systematic":"Magnesium;3-carboxy-3-oxidanyl-pentanedioate","IUPAC Name Traditional":"Magnesium;3-carboxy-3-hydroxy-glutarate",InChI:"1S/C6H8O7.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2",InChIKey:"DIXGJWCZQHXZNR-UHFFFAOYSA-L","Exact Mass":213.9963942,"Molecular Formula":"C6H6MgO7","Molecular Weight":214.41,"Monoisotopic Mass":213.9963942,Charge:0,"Easy Name":"Magnesium citrate","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C6H6Mg1O7"},8950:{PUBCHEM:{CID:"8950","Compound Complexity":216,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Disodium;3-carboxy-3-hydroxy-pentanedioate","IUPAC Name CAS-like Style":"Disodium;3-carboxy-3-hydroxypentanedioate","IUPAC Name Markup":"Disodium;3-carboxy-3-hydroxypentanedioate","IUPAC Name Preferred":"Disodium;3-carboxy-3-hydroxypentanedioate","IUPAC Name Systematic":"Disodium;3-carboxy-3-oxidanyl-pentanedioate","IUPAC Name Traditional":"Disodium;3-carboxy-3-hydroxy-glutarate",InChI:"1S/C6H8O7.2Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2",InChIKey:"CEYULKASIQJZGP-UHFFFAOYSA-L","Exact Mass":235.99089109,"Molecular Formula":"C6H6Na2O7","Molecular Weight":236.09,"Monoisotopic Mass":235.99089109,Charge:0,"Easy Name":"Disodium citrate","Easy Category":"Organic salt"},HSDB:{Uses:{Value:"ANTICOAGULANT, FOR USE IN TRANSFUSIONS"}},ReducedFormula:"C6H6Na2O7"},8988:{PUBCHEM:{CID:"8988","Compound Complexity":103,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R)-pyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"(2R)-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"(2R)-pyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"(2R)-pyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"(2R)-pyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"(2R)-proline",InChI:"1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",InChIKey:"ONIBWKKTOPOVIA-SCSAIBSYSA-N","Log P":-2.5,"Exact Mass":115.063328534,"Molecular Formula":"C5H9NO2","Molecular Weight":115.13,"Monoisotopic Mass":115.063328534,Charge:0,"Easy Name":"D-Proline","Easy Category":"Amino acids"},HSDB:{"Color And Form":{Value:"Flat needles from alcohol + ether; prisms from water"},Density:{Value:"1.064 at 24 °C"},"Melting Point":{Value:"220-222 °C, decomposes"},Odor:{Value:"Odorless"},Solubility:{Value:"Solubility in 100 mL of water: 127 g at 0 °C; 162 g at 25 °C; 206.7 g at 50 °C; 239 g at 65 °C"},Taste:{Value:"Sweet"},Uses:{Value:"Reported uses (ppm):"},"Vapor Pressure":{Value:"3.02X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C5H9N1O2"},9001:{PUBCHEM:{CID:"9001","Compound Complexity":413,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;4,5-dihydroxybenzene-1,3-disulfonate","IUPAC Name CAS-like Style":"Disodium;4,5-dihydroxybenzene-1,3-disulfonate","IUPAC Name Markup":"Disodium;4,5-dihydroxybenzene-1,3-disulfonate","IUPAC Name Preferred":"Disodium;4,5-dihydroxybenzene-1,3-disulfonate","IUPAC Name Systematic":"Disodium;4,5-bis(oxidanyl)benzene-1,3-disulfonate","IUPAC Name Traditional":"Disodium;4,5-dihydroxybenzene-1,3-disulfonate",InChI:"1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",InChIKey:"ISWQCIVKKSOKNN-UHFFFAOYSA-L","Exact Mass":313.914298,"Molecular Formula":"C6H4Na2O8S2","Molecular Weight":314.2,"Monoisotopic Mass":313.914298,Charge:0,"Easy Name":"Tiron","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C6H4Na2O8S2"},9007:{PUBCHEM:{CID:"9007","Compound Complexity":83,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-methoxyphenol","IUPAC Name CAS-like Style":"3-methoxyphenol","IUPAC Name Markup":"3-methoxyphenol","IUPAC Name Preferred":"3-methoxyphenol","IUPAC Name Systematic":"3-methoxyphenol","IUPAC Name Traditional":"3-methoxyphenol",InChI:"1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3",InChIKey:"ASHGTJPOSUFTGB-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":124.052429497,"Molecular Formula":"C7H8O2","Molecular Weight":124.14,"Monoisotopic Mass":124.052429497,Charge:0,"Easy Name":"3-Hydroxyanisole","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C7H8O2"},9009:{PUBCHEM:{CID:"9009","Compound Complexity":55.7,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"Triethyl borate","IUPAC Name CAS-like Style":"Triethyl borate","IUPAC Name Markup":"Triethyl borate","IUPAC Name Preferred":"Triethyl borate","IUPAC Name Systematic":"Triethyl borate","IUPAC Name Traditional":"Triethyl borate",InChI:"1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3",InChIKey:"AJSTXXYNEIHPMD-UHFFFAOYSA-N","Exact Mass":146.1114245,"Molecular Formula":"C6H15BO3","Molecular Weight":145.99,"Monoisotopic Mass":146.1114245,Charge:0,"Easy Name":"Triethyl borate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"B1C6H15O3"},9015:{PUBCHEM:{CID:"9015","Compound Complexity":75,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"4-methoxyphenol","IUPAC Name CAS-like Style":"4-methoxyphenol","IUPAC Name Markup":"4-methoxyphenol","IUPAC Name Preferred":"4-methoxyphenol","IUPAC Name Systematic":"4-methoxyphenol","IUPAC Name Traditional":"4-methoxyphenol",InChI:"1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",InChIKey:"NWVVVBRKAWDGAB-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":124.052429497,"Molecular Formula":"C7H8O2","Molecular Weight":124.14,"Monoisotopic Mass":124.052429497,Charge:0,"Easy Name":"Mequinol","Easy Category":"Phenols"},HSDB:{"Boiling Point":{Value:"253 °C"},"Color And Form":{Value:"Plates"},"Critical Temperature And Pressure":{Value:"Critical temperature: 761 deg K (est); critical pressure: 4.97X10+6 Pa (est)"},Density:{Value:"1.55 at 20 °C/20 °C"},"Melting Point":{Value:"54 °C"},"NFPA Hazard Classification":{Value:"2-1-0"},Odor:{Value:"Odor of caramel and phenol"},Solubility:{Value:"In water, 19,500 mg/L at 25 °C"},Uses:{Value:"4-Methoxyphenol is employed as an inhibitor for acrylic monomers, as a stabilizer for chlorinated hydrocarbons and ethyl cellulose, as an ultraviolet inhibitor, and as a chemical intermediate."},"Vapor Density":{Value:"4.3 (Air = 1)"},"Vapor Pressure":{Value:"6.75X10-3 mm Hg at 20 °C"}},ReducedFormula:"C7H8O2"},9032:{PUBCHEM:{CID:"9032","Compound Complexity":12.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;cyanide","IUPAC Name CAS-like Style":"Potassium;cyanide","IUPAC Name Markup":"Potassium;cyanide","IUPAC Name Preferred":"Potassium;cyanide","IUPAC Name Systematic":"Potassium;cyanide","IUPAC Name Traditional":"Potassium;cyanide",InChI:"1S/CN.K/c1-2;/q-1;+1",InChIKey:"NNFCIKHAZHQZJG-UHFFFAOYSA-N","Exact Mass":64.96678049,"Molecular Formula":"CKN","Molecular Weight":65.116,"Monoisotopic Mass":64.96678049,Charge:0,"Easy Name":"Potassium cyanide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, granular powder or fused pieces"},Density:{Value:"1.55 at 20 °C"},"Melting Point":{Value:"634 °C"},Odor:{Value:"Faint odor of bitter almonds"},pH:{Value:"11.0 (0.1 N aq soln)"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.410"},Solubility:{Value:"Sol in 2 parts cold, 1 part boiling water"},Uses:{Value:"PC Code(s): 599600, 0 labels match"}},ReducedFormula:"C1K1N1"},9033:{PUBCHEM:{CID:"9033","Compound Complexity":10.3,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Aziridine","IUPAC Name CAS-like Style":"Aziridine","IUPAC Name Markup":"Aziridine","IUPAC Name Preferred":"Aziridine","IUPAC Name Systematic":"Aziridine","IUPAC Name Traditional":"Ethylenimine",InChI:"1S/C2H5N/c1-2-3-1/h3H,1-2H2",InChIKey:"NOWKCMXCCJGMRR-UHFFFAOYSA-N","Log P":-.4,"Exact Mass":43.042199166,"Molecular Formula":"C2H5N","Molecular Weight":43.07,"Monoisotopic Mass":43.042199166,Charge:0,"Easy Name":"Aziridine","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"55-56 °C at 760 mm Hg"},"Color And Form":{Value:"Oily, water-white liquid"},Density:{Value:"0.8321 at 24 °C/4 °C"},"Heat Of Vaporization":{Value:"333 Btu/lb= 185 cal/g= 7.75 x 10+5 J/kg"},"Melting Point":{Value:"Freezing point: -71.5 °C"},"NFPA Hazard Classification":{Value:"4-3-3"},Odor:{Value:"Pungent, ammonia-like odor"},pH:{Value:"Strongly alkaline"},"Refractive Index":{Value:"Index of refraction = 1.412 at 25 C/D"},Solubility:{Value:"SOL IN ALKALI"},Uses:{Value:"Ethyleneimine is used to manufacture triethylene melamine and is used in its polymeric form in paper and textile chemicals, adhesive binders, petroleum refining chem, fuels & lubricants, coating resins, varnishes, lacquers, agricultural chemicals, cosmetics, ion exchange resins, photographic chemicals, colloid flocculants and surfactants."},"Vapor Density":{Value:"1.48 (Air=1)"},"Vapor Pressure":{Value:"213 mm Hg at 25 °C"}},ReducedFormula:"C2H5N1"},9060:{PUBCHEM:{CID:"9060","Compound Complexity":245,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid","IUPAC Name Markup":"(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid","IUPAC Name Preferred":"(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-3-(1H-indol-3-yl)propanoic acid","IUPAC Name Traditional":"(2R)-2-amino-3-(1H-indol-3-yl)propionic acid",InChI:"1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",InChIKey:"QIVBCDIJIAJPQS-SECBINFHSA-N","Log P":-1.1,"Exact Mass":204.08987763,"Molecular Formula":"C11H12N2O2","Molecular Weight":204.22,"Monoisotopic Mass":204.08987763,Charge:0,"Easy Name":"D-Tryptophan","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C11H12N2O2"},9064:{PUBCHEM:{CID:"9064","Compound Complexity":364,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol","IUPAC Name CAS-like Style":"(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","IUPAC Name Markup":"(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Preferred":"(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Systematic":"(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Traditional":"(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol",InChI:"1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",InChIKey:"PFTAWBLQPZVEMU-DZGCQCFKSA-N","Log P":.4,"Exact Mass":290.07903817,"Molecular Formula":"C15H14O6","Molecular Weight":290.27,"Monoisotopic Mass":290.07903817,Charge:0,"Easy Name":"Catechin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H14O6"},9115:{PUBCHEM:{CID:"9115","Compound Complexity":376,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Coronene","IUPAC Name CAS-like Style":"Coronene","IUPAC Name Markup":"Coronene","IUPAC Name Preferred":"Coronene","IUPAC Name Systematic":"Coronene","IUPAC Name Traditional":"Coronene",InChI:"1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H",InChIKey:"VPUGDVKSAQVFFS-UHFFFAOYSA-N","Log P":7.2,"Exact Mass":300.09390039,"Molecular Formula":"C24H12","Molecular 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°C"}},ReducedFormula:"C12H8"},9170:{PUBCHEM:{CID:"9170","Compound Complexity":217,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triphenylene","IUPAC Name CAS-like Style":"Triphenylene","IUPAC Name Markup":"Triphenylene","IUPAC Name Preferred":"Triphenylene","IUPAC Name Systematic":"Triphenylene","IUPAC Name Traditional":"Triphenylene",InChI:"1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H",InChIKey:"SLGBZMMZGDRARJ-UHFFFAOYSA-N","Log P":4.9,"Exact Mass":228.09390039,"Molecular Formula":"C18H12","Molecular Weight":228.3,"Monoisotopic Mass":228.09390039,Charge:0,"Easy Name":"Triphenylene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C18H12"},9171:{PUBCHEM:{CID:"9171","Compound Complexity":264,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chrysene","IUPAC Name CAS-like Style":"Chrysene","IUPAC Name Markup":"Chrysene","IUPAC Name 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Markup":"Quinazoline","IUPAC Name Preferred":"Quinazoline","IUPAC Name Systematic":"Quinazoline","IUPAC Name Traditional":"Quinazoline",InChI:"1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H",InChIKey:"JWVCLYRUEFBMGU-UHFFFAOYSA-N","Log P":1,"Exact Mass":130.053098202,"Molecular Formula":"C8H6N2","Molecular Weight":130.15,"Monoisotopic Mass":130.053098202,Charge:0,"Easy Name":"Quinazoline","Easy Category":"Heterocyclic compounds (2 rings)"},HSDB:{},ReducedFormula:"C8H6N2"},9214:{PUBCHEM:{CID:"9214","Compound Complexity":339,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Biphenylene","IUPAC Name CAS-like Style":"Biphenylene","IUPAC Name Markup":"Biphenylene","IUPAC Name Preferred":"Biphenylene","IUPAC Name Systematic":"Biphenylene","IUPAC Name Traditional":"Biphenylene",InChI:"1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H",InChIKey:"IFVTZJHWGZSXFD-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":152.062600258,"Molecular Formula":"C12H8","Molecular 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106 °C (form a); 110 °C (form b)"},pH:{Value:"A WEAK BASE, COLORS LITMUS PAPER BLUE"},Solubility:{Value:"SLIGHTLY SOL IN HOT WATER; VERY SOL IN ALCOHOL, ETHER, BENZENE AND CARBON DISULFIDE"},Uses:{Value:"MFR DYES AND INTERMEDIATES"},"Vapor Pressure":{Value:"1 MM HG @ 129 °C"}},ReducedFormula:"C13H9N1"},9231:{PUBCHEM:{CID:"9231","Compound Complexity":94.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Azulene","IUPAC Name CAS-like Style":"Azulene","IUPAC Name Markup":"Azulene","IUPAC Name Preferred":"Azulene","IUPAC Name Systematic":"Azulene","IUPAC Name Traditional":"Azulene",InChI:"1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H",InChIKey:"CUFNKYGDVFVPHO-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":128.062600258,"Molecular Formula":"C10H8","Molecular Weight":128.17,"Monoisotopic Mass":128.062600258,Charge:0,"Easy Name":"Azulene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C10H8"},9238:{PUBCHEM:{CID:"9238","Compound 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Traditional":"Cyclobutane",InChI:"1S/C4H8/c1-2-4-3-1/h1-4H2",InChIKey:"PMPVIKIVABFJJI-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":56.062600258,"Molecular Formula":"C4H8","Molecular Weight":56.11,"Monoisotopic Mass":56.062600258,Charge:0,"Easy Name":"Cyclobutane","Easy Category":"Cycloalkane"},HSDB:{"Boiling Point":{Value:"13.08 °C @ 741 MM HG"},"Color And Form":{Value:"Colorless gas"},Density:{Value:"0.7038 AT 0 °C; 0.7125 @ 5 °C"},"Melting Point":{Value:"-80 °C"},"NFPA Hazard Classification":{Value:"1-4-0"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.3625 @ 290 °C/D"},Solubility:{Value:"INSOL IN WATER; FREELY SOL IN ALCOHOL, ACETONE"},Uses:{Value:"INT IN ORGANIC SYNTHESIS"},"Vapor Density":{Value:"1.93 (AIR= 1)"},"Vapor Pressure":{Value:"1.18X10+3 mm Hg @ 25 °C"}},ReducedFormula:"C4H8"},9251:{PUBCHEM:{CID:"9251","Compound Complexity":17.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thietane","IUPAC Name CAS-like Style":"Thietane","IUPAC Name Markup":"Thietane","IUPAC Name Preferred":"Thietane","IUPAC Name Systematic":"Thietane","IUPAC Name Traditional":"Thietane",InChI:"1S/C3H6S/c1-2-4-3-1/h1-3H2",InChIKey:"XSROQCDVUIHRSI-UHFFFAOYSA-N","Log P":1,"Exact Mass":74.01902137,"Molecular Formula":"C3H6S","Molecular Weight":74.15,"Monoisotopic Mass":74.01902137,Charge:0,"Easy Name":"Thietane","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H6S1"},9253:{PUBCHEM:{CID:"9253","Compound Complexity":11.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclopentane","IUPAC Name CAS-like Style":"Cyclopentane","IUPAC Name Markup":"Cyclopentane","IUPAC Name Preferred":"Cyclopentane","IUPAC Name Systematic":"Cyclopentane","IUPAC Name Traditional":"Cyclopentane",InChI:"1S/C5H10/c1-2-4-5-3-1/h1-5H2",InChIKey:"RGSFGYAAUTVSQA-UHFFFAOYSA-N","Log P":3,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"Cyclopentane","Easy Category":"Cycloalkane"},HSDB:{"Boiling Point":{Value:"49.2 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.7457 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"28.52 kJ/mol at 25 °C"},"Melting Point":{Value:"-93.4 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Mild, sweet odor"},"Refractive Index":{Value:"Index of Refraction: 1.4065 at 20 °C/D"},Solubility:{Value:"In water, 156 ppm at 25 °C"},Uses:{Value:"It is commonly used for cracking aromatics. Commercially, ... used to produce a variety of analgesics, sedatives, hypnotics, antitumor agents, CNS depressants, prostaglandins, insecticides, and many other products."},"Vapor Density":{Value:"2.42 (Air = 1)"},"Vapor Pressure":{Value:"317.8 mm Hg at 25 °C"},Viscosity:{Value:"0.413 mPa s at 25 °C"}},ReducedFormula:"C5H10"},9259:{PUBCHEM:{CID:"9259","Compound Complexity":30.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyridazine","IUPAC Name CAS-like Style":"Pyridazine","IUPAC Name Markup":"Pyridazine","IUPAC Name Preferred":"Pyridazine","IUPAC Name Systematic":"Pyridazine","IUPAC Name Traditional":"Pyridazine",InChI:"1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H",InChIKey:"PBMFSQRYOILNGV-UHFFFAOYSA-N","Log P":-.7,"Exact Mass":80.037448138,"Molecular Formula":"C4H4N2","Molecular Weight":80.09,"Monoisotopic Mass":80.037448138,Charge:0,"Easy Name":"Pyridazine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H4N2"},9260:{PUBCHEM:{CID:"9260","Compound Complexity":32.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyrimidine","IUPAC Name CAS-like Style":"Pyrimidine","IUPAC Name Markup":"Pyrimidine","IUPAC Name Preferred":"Pyrimidine","IUPAC Name Systematic":"Pyrimidine","IUPAC Name Traditional":"Pyrimidine",InChI:"1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H",InChIKey:"CZPWVGJYEJSRLH-UHFFFAOYSA-N","Log P":-.4,"Exact Mass":80.037448138,"Molecular Formula":"C4H4N2","Molecular Weight":80.09,"Monoisotopic Mass":80.037448138,Charge:0,"Easy Name":"Pyrimidine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H4N2"},9261:{PUBCHEM:{CID:"9261","Compound Complexity":26.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyrazine","IUPAC Name CAS-like Style":"Pyrazine","IUPAC Name Markup":"Pyrazine","IUPAC Name Preferred":"Pyrazine","IUPAC Name Systematic":"Pyrazine","IUPAC Name Traditional":"Pyrazine",InChI:"1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H",InChIKey:"KYQCOXFCLRTKLS-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":80.037448138,"Molecular Formula":"C4H4N2","Molecular Weight":80.09,"Monoisotopic Mass":80.037448138,Charge:0,"Easy Name":"Pyrazine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H4N2"},9262:{PUBCHEM:{CID:"9262","Compound Complexity":21.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3,5-triazine","IUPAC Name CAS-like Style":"1,3,5-triazine","IUPAC Name Markup":"1,3,5-triazine","IUPAC Name Preferred":"1,3,5-triazine","IUPAC Name Systematic":"1,3,5-triazine","IUPAC Name Traditional":"S-triazine",InChI:"1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H",InChIKey:"JIHQDMXYYFUGFV-UHFFFAOYSA-N","Log P":0,"Exact Mass":81.03269711,"Molecular Formula":"C3H3N3","Molecular Weight":81.08,"Monoisotopic Mass":81.03269711,Charge:0,"Easy Name":"1, 3, 5-triazine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H3N3"},9264:{PUBCHEM:{CID:"9264","Compound Complexity":21.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3,5-trithiane","IUPAC Name CAS-like Style":"1,3,5-trithiane","IUPAC Name Markup":"1,3,5-trithiane","IUPAC Name Preferred":"1,3,5-trithiane","IUPAC Name Systematic":"1,3,5-trithiane","IUPAC Name Traditional":"1,3,5-trithiane",InChI:"1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2",InChIKey:"LORRLQMLLQLPSJ-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":137.96316372,"Molecular Formula":"C3H6S3","Molecular Weight":138.3,"Monoisotopic Mass":137.96316372,Charge:0,"Easy Name":"1, 3, 5-Trithiane","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H6S3"},9265:{PUBCHEM:{CID:"9265","Compound Complexity":19.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cycloheptane","IUPAC Name CAS-like Style":"Cycloheptane","IUPAC Name Markup":"Cycloheptane","IUPAC Name Preferred":"Cycloheptane","IUPAC Name Systematic":"Cycloheptane","IUPAC Name Traditional":"Cycloheptane",InChI:"1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2",InChIKey:"DMEGYFMYUHOHGS-UHFFFAOYSA-N","Log P":4,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"Cycloheptane","Easy Category":"Cycloalkane"},HSDB:{"Boiling Point":{Value:"118.48 °C at 760 mm Hg"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.8098 g/cu cm at 20 °C"},"Melting Point":{Value:"-8.0 °C"},"NFPA Hazard Classification":{Value:"0-3-0"},"Refractive Index":{Value:"Index of refraction: 1.4436 at 20 °C/D"},Solubility:{Value:"In water, 30 mg/L at 25 °C"},Uses:{Value:"LABORATORY CHEMICAL FOR ORGANIC CHEM RESEARCH"},"Vapor Density":{Value:"3.3 (Air = 1)"},"Vapor Pressure":{Value:"21.6 mm Hg at 25 °C"}},ReducedFormula:"C7H14"},9266:{PUBCHEM:{CID:"9266","Compound Complexity":24,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclooctane","IUPAC Name CAS-like Style":"Cyclooctane","IUPAC Name Markup":"Cyclooctane","IUPAC Name Preferred":"Cyclooctane","IUPAC Name Systematic":"Cyclooctane","IUPAC Name Traditional":"Cyclooctane",InChI:"1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2",InChIKey:"WJTCGQSWYFHTAC-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"Cyclooctane","Easy Category":"Cycloalkane"},HSDB:{},ReducedFormula:"C8H16"},9267:{PUBCHEM:{CID:"9267","Compound Complexity":33.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclodecane","IUPAC Name CAS-like Style":"Cyclodecane","IUPAC Name Markup":"Cyclodecane","IUPAC Name Preferred":"Cyclodecane","IUPAC Name Systematic":"Cyclodecane","IUPAC Name Traditional":"Cyclodecane",InChI:"1S/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2",InChIKey:"LMGZGXSXHCMSAA-UHFFFAOYSA-N","Log P":5.6,"Exact Mass":140.15650064,"Molecular Formula":"C10H20","Molecular Weight":140.27,"Monoisotopic Mass":140.15650064,Charge:0,"Easy Name":"Cyclodecane","Easy Category":"Cycloalkane"},HSDB:{},ReducedFormula:"C10H20"},9268:{PUBCHEM:{CID:"9268","Compound Complexity":43,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclododecane","IUPAC Name CAS-like Style":"Cyclododecane","IUPAC Name Markup":"Cyclododecane","IUPAC Name Preferred":"Cyclododecane","IUPAC Name Systematic":"Cyclododecane","IUPAC Name Traditional":"Cyclododecane",InChI:"1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2",InChIKey:"DDTBPAQBQHZRDW-UHFFFAOYSA-N","Log P":6.7,"Exact Mass":168.18780077,"Molecular Formula":"C12H24","Molecular Weight":168.32,"Monoisotopic Mass":168.18780077,Charge:0,"Easy Name":"Cyclododecane","Easy Category":"Cycloalkane"},HSDB:{"Boiling Point":{Value:"247 °C"},"Color And Form":{Value:"Needles from alcohol"},Density:{Value:"0.82 g/cu cm at 80 °C"},"Melting Point":{Value:"60.4 °C"},Solubility:{Value:"Insoluble in water; very soluble in alcohol, ethyl ether"},Uses:{Value:"Intermediate for the production of chemicals used to make polyamides, polyesters, synthetic lubricating oils, and nylon 12; high-purity solvent. Also used as a moth proofing agent"},"Vapor Pressure":{Value:"0.0295 mm Hg at 25 °C"}},ReducedFormula:"C12H24"},9269:{PUBCHEM:{CID:"9269","Compound Complexity":65.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4,7,10-tetraoxacyclododecane","IUPAC Name CAS-like Style":"1,4,7,10-tetraoxacyclododecane","IUPAC Name Markup":"1,4,7,10-tetraoxacyclododecane","IUPAC Name Preferred":"1,4,7,10-tetraoxacyclododecane","IUPAC Name Systematic":"1,4,7,10-tetraoxacyclododecane","IUPAC Name Traditional":"12-crown-4",InChI:"1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2",InChIKey:"XQQZRZQVBFHBHL-UHFFFAOYSA-N","Log P":0,"Exact Mass":176.10485899,"Molecular Formula":"C8H16O4","Molecular Weight":176.21,"Monoisotopic Mass":176.10485899,Charge:0,"Easy Name":"12-Crown-4","Easy Category":"Crown ether"},HSDB:{},ReducedFormula:"C8H16O4"},9287:{PUBCHEM:{CID:"9287","Compound Complexity":170,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"1-(1H-indol-3-yl)propan-2-amine","IUPAC Name CAS-like Style":"1-(1H-indol-3-yl)-2-propanamine","IUPAC Name Markup":"1-(1H-indol-3-yl)propan-2-amine","IUPAC Name Preferred":"1-(1H-indol-3-yl)propan-2-amine","IUPAC Name Systematic":"1-(1H-indol-3-yl)propan-2-amine","IUPAC Name Traditional":"[2-(1H-indol-3-yl)-1-methyl-ethyl]amine",InChI:"1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3",InChIKey:"QSQQQURBVYWZKJ-UHFFFAOYSA-N","Log P":2,"Exact Mass":174.11569846,"Molecular Formula":"C11H14N2","Molecular Weight":174.24,"Monoisotopic Mass":174.11569846,Charge:0,"Easy Name":"Alpha-Methyltryptamine","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C11H14N2"},9290:{PUBCHEM:{CID:"9290","Compound Complexity":165,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":10,"Rotatable Bond":8,"IUPAC Name Allowed":"Calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate","IUPAC Name CAS-like Style":"Calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate","IUPAC Name Markup":"Calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate","IUPAC Name Preferred":"Calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate","IUPAC Name Systematic":"Calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate","IUPAC Name Traditional":"Calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate",InChI:"1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",InChIKey:"NEEHYRZPVYRGPP-IYEMJOQQSA-L","Exact Mass":430.0635462,"Molecular Formula":"C12H22CaO14","Molecular Weight":430.37,"Monoisotopic Mass":430.0635462,Charge:0,"Easy Name":"Calcium gluconate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"Crystals, granules, or powder"},"Melting Point":{Value:"120 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH aq soln: 6-7"},Solubility:{Value:"Slowly soluble in 5 parts boiling water; insoluble in alc or other organic solvents. Slowly soluble in 30 parts cold, about 5 parts boiling water"},Taste:{Value:"Tasteless"},Uses:{Value:"In sewage purification; in coffee powders to prevent caking"}},ReducedFormula:"C12Ca1H22O14"},9294:{PUBCHEM:{CID:"9294","Compound Complexity":121,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol","IUPAC Name CAS-like Style":"(1R,2S)-2-(methylamino)-1-phenyl-1-propanol","IUPAC Name Markup":"(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol","IUPAC Name Preferred":"(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol","IUPAC Name Systematic":"(1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol","IUPAC Name Traditional":"(1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol",InChI:"1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1",InChIKey:"KWGRBVOPPLSCSI-WPRPVWTQSA-N","Log P":.9,"Exact Mass":165.11536411,"Molecular Formula":"C10H15NO","Molecular Weight":165.23,"Monoisotopic Mass":165.11536411,Charge:0,"Easy Name":"L-Ephedrine","Easy Category":"Phenethylamines"},HSDB:{"Boiling Point":{Value:"260 °C at 745 mm Hg"},"Color And Form":{Value:"Waxy solid, crystals or granules"},Density:{Value:"1.0085 g/cu cm at 22 °C"},"Melting Point":{Value:"38.1 °C"},pH:{Value:"10.8 aqueous solution (1 in 200)"},Solubility:{Value:"In water, 56,900 mg/L at 25 °C ; 63,600 mg/L at 30 °C"},Uses:{Value:"In Oriental medicines, ephedra is the chief drug for treatment of asthma and bronchitis. It has been used for thousands of years in traditional Chinese medicine as a primary component of multi-herb formulas prescribed to treat bronchial asthma, cold and flu, cough and wheezing, feven, chills, lact of perspiration, headache, and nasal congestion. ...Today, ephedra is official in the national pharmacopeias of China, Germany, and Japan. In India, ephedra herb is listed in the Ayurvedic pharmacopeia. Only its isolated derivatives ephedrine and ephedrine hydrochloride are official in the Indian Pharmacopeia. /Ephedra/"},"Vapor Pressure":{Value:"0.0012 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H15N1O1"},9308:{PUBCHEM:{CID:"9308","Compound Complexity":153,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"[(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium","IUPAC Name CAS-like Style":"[(2S,4R,5S)-4-hydroxy-5-methyl-2-oxolanyl]methyl-trimethylammonium","IUPAC Name Markup":"[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium","IUPAC Name Preferred":"[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium","IUPAC Name Systematic":"Trimethyl-[[(2S,4R,5S)-5-methyl-4-oxidanyl-oxolan-2-yl]methyl]azanium","IUPAC Name Traditional":"[(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium",InChI:"1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1",InChIKey:"UQOFGTXDASPNLL-XHNCKOQMSA-N","Log P":.1,"Exact Mass":174.14940389,"Molecular Formula":"C9H20NO2+","Molecular Weight":174.26,"Monoisotopic Mass":174.14940389,Charge:1,"Easy Name":"L- (+)-muscarine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"+1C9H20N1O2"},9317:{PUBCHEM:{CID:"9317","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Plumbous;diacetate","IUPAC Name CAS-like Style":"Lead(2+);diacetate","IUPAC Name Markup":"Lead(2+);diacetate","IUPAC Name Preferred":"Lead(2+);diacetate","IUPAC Name Systematic":"Lead(2+);diethanoate","IUPAC Name Traditional":"Plumbous;diacetate",InChI:"1S/2C2H4O2.Pb/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"GUWSLQUAAYEZAF-UHFFFAOYSA-L","Exact Mass":326.00326,"Molecular Formula":"C4H6O4Pb","Molecular Weight":325,"Monoisotopic Mass":326.00326,Charge:0,"Easy Name":"Lead (II) acetate","Easy Category":"Organic salt"},HSDB:{"Boiling Point":{Value:"Decomposes"},"Color And Form":{Value:"White crystals"},Density:{Value:"3.25 g/cu cm"},"Melting Point":{Value:"280 °C"},Odor:{Value:"Slight acetic odor"},pH:{Value:"5.5-6.5 (5% aq soln at 25 °C)"},Solubility:{Value:"44.3 g/100 cc of water at 20 °C"},Uses:{Value:"Varnishes; lead driers; chrome pigments; gold cyanidation process; mfr insecticide, antifouling paints; analytical reagent /Lead acetate trihydrate/"}},ReducedFormula:"C4H6O4Pb1"},9321:{PUBCHEM:{CID:"9321","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrazine","IUPAC Name CAS-like Style":"Hydrazine","IUPAC Name Markup":"Hydrazine","IUPAC Name Preferred":"Hydrazine","IUPAC Name Systematic":"Diazane","IUPAC Name Traditional":"Hydrazine",InChI:"1S/H4N2/c1-2/h1-2H2",InChIKey:"OAKJQQAXSVQMHS-UHFFFAOYSA-N","Log P":-1.5,"Exact Mass":32.037448138,"Molecular Formula":"H4N2","Molecular Weight":32.046,"Monoisotopic Mass":32.037448138,Charge:0,"Easy Name":"Hydrazine","Easy Category":"Inorganic matter"},HSDB:{"Boiling Point":{Value:"113.55 °C"},"Color And Form":{Value:"Colorless oily liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 380 °C; critical pressure: 14 atm"},Density:{Value:"1.0036 g/cu cm"},"Heat Of Vaporization":{Value:"44.7 kJ/mol at 25 °C"},"Melting Point":{Value:"1.54 °C"},"NFPA Hazard Classification":{Value:"4-4-3"},Odor:{Value:"Penetrating odor resembling ammonia."},pH:{Value:"Aqueous solutions of hydrazine are highly alkaline. pH of a 64 wt% aqueous solution of hydrazine is 12.75."},"Refractive Index":{Value:"Index of refraction: 1.46979 at 22.3 °C/D; 1.46444 at 35 °C/D"},Solubility:{Value:"Miscible with water /1.0X10+6 mg/L/"},Uses:{Value:"Reducing agent for many transition metals and some nonmetals (arsenic, selenium, tellurium), as well as uranium and plutonium; corrosion inhibitor in boiler feedwater and reactor cooling water; wastewater treatment; electrolytic plating of metals on glass and plastics; nuclear fuel reprocessing; redox reactions; polymerization catalyst; shortstopping agent; fuel cells; blowing agent; scavenger for gases; drugs and agricultural chemicals (maleic hydrazide); component of high-energy fuels; rocket propellant."},"Vapor Pressure":{Value:"14.4 mm Hg at 25 °C"},Viscosity:{Value:"0.974 uPa-sec at 20 °C"}},ReducedFormula:"H4N2"},9322:{PUBCHEM:{CID:"9322","Compound Complexity":31.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thiocyanate","IUPAC Name CAS-like Style":"Thiocyanate","IUPAC Name Markup":"Thiocyanate","IUPAC Name Preferred":"Thiocyanate","IUPAC Name Systematic":"Thiocyanate","IUPAC Name Traditional":"Thiocyanate",InChI:"1S/CHNS/c2-1-3/h3H/p-1",InChIKey:"ZMZDMBWJUHKJPS-UHFFFAOYSA-M","Log P":.6,"Exact Mass":57.97514518,"Molecular Formula":"CNS-","Molecular Weight":58.08,"Monoisotopic Mass":57.97514518,Charge:-1,"Easy Name":"Thiocyanate","Easy Category":"Anion"},HSDB:{"Color And Form":{Value:"Deliquescent crystals"},Density:{Value:"1.3057 g/mL"},"Melting Point":{Value:"149.6 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Very sol in water and ethanol; sol in acetone; insol in chloroform."},Uses:{Value:"For Ammonium thiocyanate (USEPA/OPP Pesticide Code: 068200) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"-1C1N1S1"},9338:{PUBCHEM:{CID:"9338","Compound Complexity":147,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"2,6-dihydroxybenzoic acid","IUPAC Name CAS-like Style":"2,6-dihydroxybenzoic acid","IUPAC Name Markup":"2,6-dihydroxybenzoic acid","IUPAC Name Preferred":"2,6-dihydroxybenzoic acid","IUPAC Name Systematic":"2,6-bis(oxidanyl)benzoic acid","IUPAC Name Traditional":"2,6-dihydroxybenzoic acid",InChI:"1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)",InChIKey:"AKEUNCKRJATALU-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":154.026608672,"Molecular Formula":"C7H6O4","Molecular Weight":154.12,"Monoisotopic Mass":154.026608672,Charge:0,"Easy Name":"2, 6-Dihydroxybenzoic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C7H6O4"},9359:{PUBCHEM:{CID:"9359","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Stibane","IUPAC Name CAS-like Style":"Stibine","IUPAC Name Markup":"Stibane","IUPAC Name Preferred":"Stibane","IUPAC Name Systematic":"Stibane","IUPAC Name Traditional":"Stibine",InChI:"1S/Sb.3H",InChIKey:"OUULRIDHGPHMNQ-UHFFFAOYSA-N","Exact Mass":123.92729,"Molecular Formula":"H3Sb","Molecular Weight":124.78,"Monoisotopic Mass":123.92729,Charge:0,"Easy Name":"Stibine","Easy Category":"Hydride"},HSDB:{"Boiling Point":{Value:"-17 °C"},"Color And Form":{Value:"Colorless gas"},Density:{Value:"5.100 g/L"},"Melting Point":{Value:"-88 °C"},"NFPA Hazard Classification":{Value:"4-4-2- ̵W̵"},Odor:{Value:"Disagreeable"},Solubility:{Value:"Slightly soluble in water"},Uses:{Value:"In the production of lead batteries two antimony compounds occur: in the casting of grids antimony trioxide (Sb2O3), and in the formation of lead plates stibine (SbH3)."}},ReducedFormula:"H3Sb1"},9492:{PUBCHEM:{CID:"9492","Compound Complexity":220,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2,5-dinitrophenol","IUPAC Name CAS-like Style":"2,5-dinitrophenol","IUPAC Name Markup":"2,5-dinitrophenol","IUPAC Name Preferred":"2,5-dinitrophenol","IUPAC Name Systematic":"2,5-dinitrophenol","IUPAC Name Traditional":"2,5-dinitrophenol",InChI:"1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H",InChIKey:"UWEZBKLLMKVIPI-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":184.01202124,"Molecular Formula":"C6H4N2O5","Molecular Weight":184.11,"Monoisotopic Mass":184.01202124,Charge:0,"Easy Name":"2, 5-Dinitrophenol","Easy Category":"PH indicator"},HSDB:{"Color And Form":{Value:"Yellow monoclinic prisms or needles from water, ligand"},"Melting Point":{Value:"108 °C"},pH:{Value:"pH range: 4.0 colorless, 5.4 yellow"},Solubility:{Value:"Soluble in ether, benzene"},Uses:{Value:"In manufacture of dyes and organic chemicals, as an indicator."},"Vapor Pressure":{Value:"1.22X10-4 mm Hg at 20 °C"}},ReducedFormula:"C6H4N2O5"},9554:{PUBCHEM:{CID:"9554","Compound Complexity":530,"Hydrogen Bond Acceptor":17,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid","IUPAC Name CAS-like Style":"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid","IUPAC Name Markup":"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid","IUPAC Name Preferred":"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid","IUPAC Name Systematic":"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octanoic acid","IUPAC Name Traditional":"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorocaprylic acid",InChI:"1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)",InChIKey:"SNGREZUHAYWORS-UHFFFAOYSA-N","Log P":4.9,"Exact Mass":413.9737017,"Molecular Formula":"C8HF15O2","Molecular Weight":414.07,"Monoisotopic Mass":413.9737017,Charge:0,"Easy Name":"Perfluorooctanoic acid","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"192 °C"},"Color And Form":{Value:"White to off-white powder"},Density:{Value:"1.792 g/mL at 20 °C"},"Melting Point":{Value:"54.3 °C"},Solubility:{Value:"In water, 2290 mg/L at 24 °C"},Uses:{Value:"... surfactant and synthetic intermediate."},"Vapor Pressure":{Value:"3.16X10-2 mm Hg at 25 °C"}},ReducedFormula:"C8F15H1O2"},9564:{PUBCHEM:{CID:"9564","Compound Complexity":356,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"1-(4-aminophenyl)sulfonyl-3-butyl-urea","IUPAC Name CAS-like Style":"1-(4-aminophenyl)sulfonyl-3-butylurea","IUPAC Name Markup":"1-(4-aminophenyl)sulfonyl-3-butylurea","IUPAC Name Preferred":"1-(4-aminophenyl)sulfonyl-3-butylurea","IUPAC Name Systematic":"1-(4-aminophenyl)sulfonyl-3-butyl-urea","IUPAC Name Traditional":"1-butyl-3-sulfanilyl-urea",InChI:"1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)",InChIKey:"VDTNNGKXZGSZIP-UHFFFAOYSA-N","Log P":1,"Exact Mass":271.09906259,"Molecular Formula":"C11H17N3O3S","Molecular Weight":271.34,"Monoisotopic Mass":271.09906259,Charge:0,"Easy Name":"Carbutamide","Easy Category":"Sulfonylurea"},HSDB:{"Color And Form":{Value:"Crystals"},"Melting Point":{Value:"144-145 °C"},Solubility:{Value:"Sol in water at pH 5 to 8."},Uses:{Value:"Therap cat: Antidiabetic"}},ReducedFormula:"C11H17N3O3S1"},9567:{PUBCHEM:{CID:"9567","Compound Complexity":396,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"3-(2-chlorophenyl)-2-methyl-quinazolin-4-one","IUPAC Name CAS-like Style":"3-(2-chlorophenyl)-2-methyl-4-quinazolinone","IUPAC Name Markup":"3-(2-chlorophenyl)-2-methylquinazolin-4-one","IUPAC Name Preferred":"3-(2-chlorophenyl)-2-methylquinazolin-4-one","IUPAC Name Systematic":"3-(2-chlorophenyl)-2-methyl-quinazolin-4-one","IUPAC Name Traditional":"3-(2-chlorophenyl)-2-methyl-quinazolin-4-one",InChI:"1S/C15H11ClN2O/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16/h2-9H,1H3",InChIKey:"SFITWQDBYUMAPS-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":270.0559907,"Molecular Formula":"C15H11ClN2O","Molecular Weight":270.71,"Monoisotopic Mass":270.0559907,Charge:0,"Easy Name":"Mecloqualone","Easy Category":"Quinazolinones"},HSDB:{},ReducedFormula:"C15Cl1H11N2O1"},9622:{PUBCHEM:{CID:"9622","Compound Complexity":35,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbonyl chloride fluoride","IUPAC Name CAS-like Style":"Carbonyl chloride fluoride","IUPAC Name Markup":"Carbonyl chloride fluoride","IUPAC Name Preferred":"Carbonyl chloride fluoride","IUPAC Name Systematic":"Carbonyl chloride fluoride","IUPAC Name Traditional":"Carbonyl chloride fluoride",InChI:"1S/CClFO/c2-1(3)4",InChIKey:"OXVVNXMNLYYMOL-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":81.9621705,"Molecular Formula":"CClFO","Molecular Weight":82.46,"Monoisotopic Mass":81.9621705,Charge:0,"Easy Name":"Carbonyl chloride fluoride","Easy Category":"Oxohalides"},HSDB:{},ReducedFormula:"C1Cl1F1O1"},9623:{PUBCHEM:{CID:"9623","Compound Complexity":29,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbonyl difluoride","IUPAC Name CAS-like Style":"Carbonyl difluoride","IUPAC Name Markup":"Carbonyl difluoride","IUPAC Name Preferred":"Carbonyl difluoride","IUPAC Name Systematic":"Carbonyl difluoride","IUPAC Name Traditional":"Carbonyl difluoride",InChI:"1S/CF2O/c2-1(3)4",InChIKey:"IYRWEQXVUNLMAY-UHFFFAOYSA-N","Log P":.8,"Exact Mass":65.99172095,"Molecular Formula":"CF2O","Molecular Weight":66.007,"Monoisotopic Mass":65.99172095,Charge:0,"Easy Name":"Carbonyl fluoride","Easy Category":"Oxohalides"},HSDB:{"Boiling Point":{Value:"-84.57 °C"},"Color And Form":{Value:"COLORLESS GAS"},Density:{Value:"2.896 g/l"},"Melting Point":{Value:"-111.26 °C"},Odor:{Value:"Very irritating odor."},Solubility:{Value:"Hygroscopic"},Uses:{Value:"CHEM INT IN ORG SYNTH, EG, FLUORINATED ALKYL ISOCYANATES."},"Vapor Pressure":{Value:"4.45X10+4 mm Hg at 25 °C /calculated from experimentally derived coefficients/"}},ReducedFormula:"C1F2O1"},9750:{PUBCHEM:{CID:"9750","Compound Complexity":171,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S)-2-amino-5-ureido-pentanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-5-(carbamoylamino)pentanoic acid","IUPAC Name Markup":"(2S)-2-amino-5-(carbamoylamino)pentanoic acid","IUPAC Name Preferred":"(2S)-2-amino-5-(carbamoylamino)pentanoic acid","IUPAC Name Systematic":"(2S)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid","IUPAC Name Traditional":"(2S)-2-amino-5-ureido-valeric acid",InChI:"1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",InChIKey:"RHGKLRLOHDJJDR-BYPYZUCNSA-N","Log P":-4.3,"Exact Mass":175.09569129,"Molecular Formula":"C6H13N3O3","Molecular Weight":175.19,"Monoisotopic Mass":175.09569129,Charge:0,"Easy Name":"L-Citrulline","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C6H13N3O3"},9756:{PUBCHEM:{CID:"9756","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;diacetate","IUPAC Name CAS-like Style":"Nickel(2+);diacetate","IUPAC Name Markup":"Nickel(2+);diacetate","IUPAC Name Preferred":"Nickel(2+);diacetate","IUPAC Name Systematic":"Nickel(2+);diethanoate","IUPAC Name Traditional":"Nickelous;diacetate",InChI:"1S/2C2H4O2.Ni/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"AIYYMMQIMJOTBM-UHFFFAOYSA-L","Exact Mass":175.96195,"Molecular Formula":"C4H6NiO4","Molecular Weight":176.78,"Monoisotopic Mass":175.96195,Charge:0,"Easy Name":"Nickel (II) acetate","Easy Category":"Organic salt"},HSDB:{"Boiling Point":{Value:"16.6 °C"},"Color And Form":{Value:"GREEN PRISMS"},Density:{Value:"1.798"},Solubility:{Value:"INSOL IN ALCOHOL"},Uses:{Value:"MAINLY AS A MORDANT IN TEXTILE INDUSTRY & TO A MINOR EXTENT AS A HYDROGENATION CATALYST"}},ReducedFormula:"C4H6Ni1O4"},9795:{PUBCHEM:{CID:"9795","Compound Complexity":199,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1-nitro-2-(trifluoromethyl)benzene","IUPAC Name CAS-like Style":"1-nitro-2-(trifluoromethyl)benzene","IUPAC Name Markup":"1-nitro-2-(trifluoromethyl)benzene","IUPAC Name Preferred":"1-nitro-2-(trifluoromethyl)benzene","IUPAC Name Systematic":"1-nitro-2-(trifluoromethyl)benzene","IUPAC Name Traditional":"1-nitro-2-(trifluoromethyl)benzene",InChI:"1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4H",InChIKey:"NDZJSUCUYPZXPR-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":191.01941286,"Molecular Formula":"C7H4F3NO2","Molecular Weight":191.11,"Monoisotopic Mass":191.01941286,Charge:0,"Easy Name":"2-Nitrobenzotrifluoride","Easy Category":"Aromatic hydrocarbon"},HSDB:{Uses:{Value:"RESEARCH CHEMICAL"}},ReducedFormula:"C7F3H4N1O2"},9821:{PUBCHEM:{CID:"9821","Compound Complexity":191,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1-nitro-4-(trifluoromethyl)benzene","IUPAC Name CAS-like Style":"1-nitro-4-(trifluoromethyl)benzene","IUPAC Name Markup":"1-nitro-4-(trifluoromethyl)benzene","IUPAC Name Preferred":"1-nitro-4-(trifluoromethyl)benzene","IUPAC Name Systematic":"1-nitro-4-(trifluoromethyl)benzene","IUPAC Name Traditional":"1-nitro-4-(trifluoromethyl)benzene",InChI:"1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H",InChIKey:"XKYLCLMYQDFGKO-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":191.01941286,"Molecular Formula":"C7H4F3NO2","Molecular Weight":191.11,"Monoisotopic Mass":191.01941286,Charge:0,"Easy Name":"4-Nitrobenzotrifluoride","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C7F3H4N1O2"},9845:{PUBCHEM:{CID:"9845","Compound Complexity":201,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate","IUPAC Name CAS-like Style":"2,2,2-trifluoroacetic acid (2,2,2-trifluoro-1-oxoethyl) ester","IUPAC Name Markup":"(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate","IUPAC Name Preferred":"(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate","IUPAC Name Systematic":"2,2,2-tris(fluoranyl)ethanoyl 2,2,2-tris(fluoranyl)ethanoate","IUPAC Name Traditional":"2,2,2-trifluoroacetic acid (2,2,2-trifluoroacetyl) ester",InChI:"1S/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10",InChIKey:"QAEDZJGFFMLHHQ-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":209.97516284,"Molecular Formula":"C4F6O3","Molecular Weight":210.03,"Monoisotopic Mass":209.97516284,Charge:0,"Easy Name":"Trifluoroacetic anhydride","Easy Category":"Acid anhydride"},HSDB:{},ReducedFormula:"C4F6O3"},9865:{PUBCHEM:{CID:"9865","Compound Complexity":10.3,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thiirane","IUPAC Name CAS-like Style":"Thiirane","IUPAC Name Markup":"Thiirane","IUPAC Name Preferred":"Thiirane","IUPAC Name Systematic":"Thiirane","IUPAC Name Traditional":"Thiirane",InChI:"1S/C2H4S/c1-2-3-1/h1-2H2",InChIKey:"VOVUARRWDCVURC-UHFFFAOYSA-N","Log P":.6,"Exact Mass":60.0033713,"Molecular Formula":"C2H4S","Molecular Weight":60.12,"Monoisotopic Mass":60.0033713,Charge:0,"Easy Name":"Thiirane","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"decomposes at 57 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"1.0130 g/cu m at 20 °C"},"Melting Point":{Value:"-109 °C"},"Refractive Index":{Value:"Index of refraction: 1.4935 at 20 °C"},Solubility:{Value:"Slightly soluble in ethanol and ether; soluble in acetone and chloroform"},Uses:{Value:"Chemical intermediate; biocide"},"Vapor Pressure":{Value:"250 mm Hg at 25 °C"}},ReducedFormula:"C2H4S1"},9867:{PUBCHEM:{CID:"9867","Compound Complexity":10.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2-fluoropropane","IUPAC Name CAS-like Style":"2-fluoropropane","IUPAC Name Markup":"2-fluoropropane","IUPAC Name Preferred":"2-fluoropropane","IUPAC Name Systematic":"2-fluoranylpropane","IUPAC Name Traditional":"2-fluoropropane",InChI:"1S/C3H7F/c1-3(2)4/h3H,1-2H3",InChIKey:"PRNZBCYBKGCOFI-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":62.05317839,"Molecular Formula":"C3H7F","Molecular Weight":62.09,"Monoisotopic Mass":62.05317839,Charge:0,"Easy Name":"2-Fluoropropane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3F1H7"},9886:{PUBCHEM:{CID:"9886","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexafluorophosphate","IUPAC Name CAS-like Style":"Hexafluorophosphate","IUPAC Name Markup":"Hexafluorophosphate","IUPAC Name Preferred":"Hexafluorophosphate","IUPAC Name Systematic":"Hexafluorophosphate","IUPAC Name Traditional":"Hexafluorophosphate",InChI:"1S/F6P/c1-7(2,3,4,5)6/q-1",InChIKey:"LJQLCJWAZJINEB-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":144.96418098,"Molecular Formula":"F6P-","Molecular Weight":144.964181,"Monoisotopic Mass":144.96418098,Charge:-1,"Easy Name":"Hexafluorophosphate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1F6P1"},9895:{PUBCHEM:{CID:"9895","Compound Complexity":199,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2,6,6-trimethylcyclohexene-1-carbaldehyde","IUPAC Name CAS-like Style":"2,6,6-trimethyl-1-cyclohexenecarboxaldehyde","IUPAC Name Markup":"2,6,6-trimethylcyclohexene-1-carbaldehyde","IUPAC Name Preferred":"2,6,6-trimethylcyclohexene-1-carbaldehyde","IUPAC Name Systematic":"2,6,6-trimethylcyclohexene-1-carbaldehyde","IUPAC Name Traditional":"2,6,6-trimethylcyclohexene-1-carbaldehyde",InChI:"1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3",InChIKey:"MOQGCGNUWBPGTQ-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":"Β-cyclocitral","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C10H16O1"},9903:{PUBCHEM:{CID:"9903","Compound Complexity":574,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1",InChIKey:"SMEROWZSTRWXGI-HVATVPOCSA-N","Log P":6.3,"Exact Mass":376.29774515,"Molecular Formula":"C24H40O3","Molecular Weight":376.6,"Monoisotopic Mass":376.29774515,Charge:0,"Easy Name":"Lithocholic acid","Easy Category":"Bile acid"},HSDB:{"Color And Form":{Value:"HEXAGONAL LEAFLETS FROM ALC, PRISMS FROM ACETIC ACID"},"Melting Point":{Value:"184-186 °C"},Solubility:{Value:"FREELY SOL IN HOT ALC; MORE SOL IN BENZENE THAN DESOXYCHOLIC ACID; INSOL IN PETROLEUM ETHER, GASOLINE, WATER; SLIGHTLY SOL IN GLACIAL ACETIC ACID (ABOUT 0.2 G IN 3 ML); MORE SOL IN ETHER THAN CHOLIC OR DESOXYCHOLIC ACID; SOL IN ABOUT 10 TIMES ITS WT OF ETHYL ACETATE"},Uses:{Value:"BIOCHEMICAL RESEARCH"}},ReducedFormula:"C24H40O3"},9986:{PUBCHEM:{CID:"9986","Compound Complexity":108,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"1-(4-fluorophenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(4-fluorophenyl)-2-propanamine","IUPAC Name Markup":"1-(4-fluorophenyl)propan-2-amine","IUPAC Name Preferred":"1-(4-fluorophenyl)propan-2-amine","IUPAC Name Systematic":"1-(4-fluorophenyl)propan-2-amine","IUPAC Name Traditional":"[2-(4-fluorophenyl)-1-methyl-ethyl]amine",InChI:"1S/C9H12FN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3",InChIKey:"DGXWNDGLEOIEGT-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":153.09537755,"Molecular Formula":"C9H12FN","Molecular Weight":153.2,"Monoisotopic Mass":153.09537755,Charge:0,"Easy Name":"4-Fluoroamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C9F1H12N1"},9998:{PUBCHEM:{CID:"9998","Compound Complexity":7.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1-fluoropropane","IUPAC Name CAS-like Style":"1-fluoropropane","IUPAC Name Markup":"1-fluoropropane","IUPAC Name Preferred":"1-fluoropropane","IUPAC Name Systematic":"1-fluoranylpropane","IUPAC Name Traditional":"1-fluoropropane",InChI:"1S/C3H7F/c1-2-3-4/h2-3H2,1H3",InChIKey:"JRHNUZCXXOTJCA-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":62.05317839,"Molecular Formula":"C3H7F","Molecular Weight":62.09,"Monoisotopic Mass":62.05317839,Charge:0,"Easy Name":"1-fluoropropane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3F1H7"},9999:{PUBCHEM:{CID:"9999","Compound Complexity":71.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxalonitrile","IUPAC Name CAS-like Style":"Oxalonitrile","IUPAC Name Markup":"Oxalonitrile","IUPAC Name Preferred":"Oxalonitrile","IUPAC Name Systematic":"Ethanedinitrile","IUPAC Name Traditional":"Cyanogen",InChI:"1S/C2N2/c3-1-2-4",InChIKey:"JMANVNJQNLATNU-UHFFFAOYSA-N","Log P":.1,"Exact Mass":52.006148009,"Molecular Formula":"C2N2","Molecular Weight":52.03,"Monoisotopic Mass":52.006148009,Charge:0,"Easy Name":"Cyanogen","Easy Category":"Nitriles"},HSDB:{"Boiling Point":{Value:"-21.1 °C"},"Color And Form":{Value:"Colorless gas; burns with purple tinged flame"},"Critical Temperature And Pressure":{Value:"Critical temperature: 128.3 °C; critical pressure: 60.79 bar"},Density:{Value:"0.9537 g/cu m at -21 °C"},"Heat Of Vaporization":{Value:"5.778 kcal/mole (liquid)"},"Melting Point":{Value:"-27.83 °C"},"NFPA Hazard Classification":{Value:"4-4-1"},Odor:{Value:"Almond-like odor, which is acrid and pungent in lethal concentrations"},"Refractive Index":{Value:"Index of refraction: 1.327 @ 18 °C (liq)"},Solubility:{Value:"Soluble in ethanol, ethyl ether"},Uses:{Value:"Organic synthesis, /SRP: fuel for/ welding and cutting metals, fumigant, rocket propellant."},"Vapor Density":{Value:"1.8 (AIR= 1)"},"Vapor Pressure":{Value:"4.30X10+3 mm Hg at 25 °C /extrapolated/"}},ReducedFormula:"C2N2"},10006:{PUBCHEM:{CID:"10006","Compound Complexity":120,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Imidazolidine-2,4-dione","IUPAC Name CAS-like Style":"Imidazolidine-2,4-dione","IUPAC Name Markup":"Imidazolidine-2,4-dione","IUPAC Name Preferred":"Imidazolidine-2,4-dione","IUPAC Name Systematic":"Imidazolidine-2,4-dione","IUPAC Name Traditional":"Hydantoin",InChI:"1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",InChIKey:"WJRBRSLFGCUECM-UHFFFAOYSA-N","Log P":-1.7,"Exact Mass":100.027277377,"Molecular Formula":"C3H4N2O2","Molecular Weight":100.08,"Monoisotopic Mass":100.027277377,Charge:0,"Easy Name":"Hydantoin","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H4N2O2"},10008:{PUBCHEM:{CID:"10008","Compound Complexity":46.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Fluorobenzene","IUPAC Name CAS-like Style":"Fluorobenzene","IUPAC Name Markup":"Fluorobenzene","IUPAC Name Preferred":"Fluorobenzene","IUPAC Name Systematic":"Fluoranylbenzene","IUPAC Name Traditional":"Fluorobenzene",InChI:"1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H",InChIKey:"PYLWMHQQBFSUBP-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":96.03752832,"Molecular Formula":"C6H5F","Molecular Weight":96.1,"Monoisotopic Mass":96.03752832,Charge:0,"Easy Name":"Fluorobenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C6F1H5"},10009:{PUBCHEM:{CID:"10009","Compound Complexity":54,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyridin-3-amine","IUPAC Name CAS-like Style":"3-pyridinamine","IUPAC Name Markup":"Pyridin-3-amine","IUPAC Name Preferred":"Pyridin-3-amine","IUPAC Name Systematic":"Pyridin-3-amine","IUPAC Name Traditional":"3-pyridylamine",InChI:"1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2",InChIKey:"CUYKNJBYIJFRCU-UHFFFAOYSA-N","Log P":.1,"Exact Mass":94.053098202,"Molecular Formula":"C5H6N2","Molecular Weight":94.11,"Monoisotopic Mass":94.053098202,Charge:0,"Easy Name":"3-Aminopyridine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C5H6N2"},10020:{PUBCHEM:{CID:"10020","Compound Complexity":111,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"2-ureidoacetic acid","IUPAC Name CAS-like Style":"2-(carbamoylamino)acetic acid","IUPAC Name Markup":"2-(carbamoylamino)acetic acid","IUPAC Name Preferred":"2-(carbamoylamino)acetic acid","IUPAC Name Systematic":"2-(aminocarbonylamino)ethanoic acid","IUPAC Name Traditional":"Hydantoic acid",InChI:"1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)",InChIKey:"KZVRXPPUJQRGFN-UHFFFAOYSA-N","Log P":-1.4,"Exact Mass":118.037842061,"Molecular Formula":"C3H6N2O3","Molecular Weight":118.09,"Monoisotopic Mass":118.037842061,Charge:0,"Easy Name":"Hydantoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C3H6N2O3"},10037:{PUBCHEM:{CID:"10037","Compound Complexity":15.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Allene","IUPAC Name CAS-like Style":"Propa-1,2-diene","IUPAC Name Markup":"Propa-1,2-diene","IUPAC Name Preferred":"Propa-1,2-diene","IUPAC Name Systematic":"Propa-1,2-diene","IUPAC Name Traditional":"Allene",InChI:"1S/C3H4/c1-3-2/h1-2H2",InChIKey:"IYABWNGZIDDRAK-UHFFFAOYSA-N","Log P":.8,"Exact Mass":40.031300129,"Molecular Formula":"C3H4","Molecular Weight":40.06,"Monoisotopic Mass":40.031300129,Charge:0,"Easy Name":"Propadiene","Easy Category":"Diene"},HSDB:{"Boiling Point":{Value:"-34.5 °C @ 760 MM HG"},"Color And Form":{Value:"GAS"},Density:{Value:"1.787"},"Melting Point":{Value:"-136 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4168"},Solubility:{Value:"INSOL IN WATER; SOL IN BENZENE, PETROLEUM ETHER"},Uses:{Value:"CHAIN-TRANSFER REAGENT IN PRODN OF POLYBUTADIENE; FUEL GAS FOR METAL-WORKING INDUSTRY (MIXT WITH PROPYNE); MONOMER FOR ALLENE POLYMERS (POSSIBLE USE)"}},ReducedFormula:"C3H4"},10038:{PUBCHEM:{CID:"10038","Compound Complexity":25.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ethenone","IUPAC Name CAS-like Style":"Ethenone","IUPAC Name Markup":"Ethenone","IUPAC Name Preferred":"Ethenone","IUPAC Name Systematic":"Ethenone","IUPAC Name Traditional":"Ketene",InChI:"1S/C2H2O/c1-2-3/h1H2",InChIKey:"CCGKOQOJPYTBIH-UHFFFAOYSA-N","Log P":.8,"Exact Mass":42.010564684,"Molecular Formula":"C2H2O","Molecular Weight":42.04,"Monoisotopic Mass":42.010564684,Charge:0,"Easy Name":"Ethenone","Easy Category":"Organic compound"},HSDB:{"Boiling Point":{Value:"-56 °C"},"Color And Form":{Value:"COLORLESS GAS"},"Melting Point":{Value:"-150 °C"},Odor:{Value:"PENETRATING ODOR"},Solubility:{Value:"SLIGHTLY SOL IN ETHER"},Taste:{Value:"DISAGREEABLE TASTE"},Uses:{Value:"CONVERSION OF HIGHER ACIDS INTO THEIR ANHYDRIDES"},"Vapor Density":{Value:"1.45 (AIR= 1)"},"Vapor Pressure":{Value:"1.04X10+4 mm Hg @ 25 °C /calculated from experimentally derived coefficients/"}},ReducedFormula:"C2H2O1"},10039:{PUBCHEM:{CID:"10039","Compound Complexity":27.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxomethanone","IUPAC Name CAS-like Style":"Sulfanylidenemethanone","IUPAC Name Markup":"Sulfanylidenemethanone","IUPAC Name Preferred":"Sulfanylidenemethanone","IUPAC Name Systematic":"Sulfanylidenemethanone","IUPAC Name Traditional":"Thioxomethanone",InChI:"1S/COS/c2-1-3",InChIKey:"JJWKPURADFRFRB-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":59.96698579,"Molecular Formula":"COS","Molecular Weight":60.08,"Monoisotopic Mass":59.96698579,Charge:0,"Easy Name":"Carbonyl sulfide","Easy Category":"Inorganic matter"},HSDB:{"Boiling Point":{Value:"-50 °C"},"Color And Form":{Value:"Colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 552 K; critical pressure: 7.90 MPa"},Density:{Value:"2.456 g/L"},"Heat Of Vaporization":{Value:"27.51 kJ/mole at 25 °C"},"Melting Point":{Value:"-138.8 °C"},"NFPA Hazard Classification":{Value:"3-4-1"},Odor:{Value:"Odorless when very pure"},Solubility:{Value:"In water, 1,220 mg/L at 25 °C"},Uses:{Value:"The commercial importance of carbonyl sulfide is limited; it is not produced in large quantity, and is used principally for small-scale synthesis and experiments."},"Vapor Density":{Value:"2.1 (Air = 1) (gas)"},"Vapor Pressure":{Value:"9412 mm Hg at 25 °C (est)"}},ReducedFormula:"C1O1S1"},10041:{PUBCHEM:{CID:"10041","Compound Complexity":15.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Neopentane","IUPAC Name CAS-like Style":"2,2-dimethylpropane","IUPAC Name Markup":"2,2-dimethylpropane","IUPAC Name Preferred":"2,2-dimethylpropane","IUPAC Name Systematic":"2,2-dimethylpropane","IUPAC Name Traditional":"Neopentane",InChI:"1S/C5H12/c1-5(2,3)4/h1-4H3",InChIKey:"CRSOQBOWXPBRES-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":72.09390039,"Molecular Formula":"C5H12","Molecular Weight":72.15,"Monoisotopic Mass":72.09390039,Charge:0,"Easy Name":"Neopentane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"9.5 °C"},"Color And Form":{Value:"Colorless gas or very volatile liquid"},"Critical Temperature And Pressure":{Value:"Critical pressure = 3.199 MPa; Critical temperature = 433.75 K"},Density:{Value:"0.591 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"22.75 kJ/mol"},"Melting Point":{Value:"-16.37 °C"},"NFPA Hazard Classification":{Value:"2-4-0"},Odor:{Value:"Gasoline-like odor"},"Refractive Index":{Value:"Index of refraction: 1.3476 at 6 °C/D"},Solubility:{Value:"In water, 33.2 mg/L at 25 °C"},Uses:{Value:"Research, butyl rubber."},"Vapor Density":{Value:"2.5 (Air = 1)"},"Vapor Pressure":{Value:"1290 mm Hg at 25 °C"}},ReducedFormula:"C5H12"},10044:{PUBCHEM:{CID:"10044","Compound Complexity":45.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2,2,3-trimethylbutane","IUPAC Name CAS-like Style":"2,2,3-trimethylbutane","IUPAC Name Markup":"2,2,3-trimethylbutane","IUPAC Name Preferred":"2,2,3-trimethylbutane","IUPAC Name Systematic":"2,2,3-trimethylbutane","IUPAC Name Traditional":"2,2,3-trimethylbutane",InChI:"1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3",InChIKey:"ZISSAWUMDACLOM-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":100.12520052,"Molecular Formula":"C7H16","Molecular Weight":100.2,"Monoisotopic Mass":100.12520052,Charge:0,"Easy Name":"Triptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C7H16"},10050:{PUBCHEM:{CID:"10050","Compound Complexity":217,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(1S)-1,7,7-trimethylnorbornan-2-one","IUPAC Name CAS-like Style":"(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanone","IUPAC Name Markup":"(1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","IUPAC Name Preferred":"(1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","IUPAC Name Systematic":"(1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","IUPAC Name Traditional":"(1S)-1,7,7-trimethylnorbornan-2-one",InChI:"1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7?,10-/m1/s1",InChIKey:"DSSYKIVIOFKYAU-OMNKOJBGSA-N","Log P":2.2,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":" (-)-Camphor","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C10H16O1"},10110:{PUBCHEM:{CID:"10110","Compound Complexity":84.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Prop-2-ynoic acid","IUPAC Name CAS-like Style":"2-propynoic acid","IUPAC Name Markup":"Prop-2-ynoic acid","IUPAC Name Preferred":"Prop-2-ynoic acid","IUPAC Name Systematic":"Prop-2-ynoic acid","IUPAC Name Traditional":"Propiolic acid",InChI:"1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)",InChIKey:"UORVCLMRJXCDCP-UHFFFAOYSA-N","Log P":.3,"Exact Mass":70.005479304,"Molecular Formula":"C3H2O2","Molecular Weight":70.05,"Monoisotopic Mass":70.005479304,Charge:0,"Easy Name":"Propiolic acid","Easy Category":"Alkyne"},HSDB:{"Boiling Point":{Value:"144 °C (decomposes)"},"Color And Form":{Value:"Crystals from carbon disulfde"},Density:{Value:"1.1380 g/cu cm at 20 °C"},"Melting Point":{Value:"18 °C"},Odor:{Value:"Odor resembling acetic acid"},"Refractive Index":{Value:"Index of refraction: 1.4306 at 20 °C/D"},Solubility:{Value:"Very soluble in water, ether, ethanol, chloroform"},Uses:{Value:"Laboratory reagent ... synthesis of transition metal complexes, haloalkyl propiolates, and halopropenoates"},"Vapor Pressure":{Value:"3.5 mm Hg at 25 °C (est)"}},ReducedFormula:"C3H2O2"},10112:{PUBCHEM:{CID:"10112","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;carbonate","IUPAC Name CAS-like Style":"Calcium;carbonate","IUPAC Name Markup":"Calcium;carbonate","IUPAC Name Preferred":"Calcium;carbonate","IUPAC Name Systematic":"Calcium;carbonate","IUPAC Name Traditional":"Calcium;carbonate",InChI:"1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"VTYYLEPIZMXCLO-UHFFFAOYSA-L","Exact Mass":99.9473347,"Molecular Formula":"CCaO3","Molecular Weight":100.09,"Monoisotopic Mass":99.9473347,Charge:0,"Easy Name":"Calcium carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White hexagonal crystals or powder (Calcite); white orthrombic crystals or powder (Argonite); colorless hexagonal crystals (vaterite)"},Odor:{Value:"Odorless"},pH:{Value:"pH = 8 to 9"},"Refractive Index":{Value:"Index of Refraction: 1.7216 (300 nm); 1.6584 (589 nm); 1.6503 (750 nm) /Calcite/"},Solubility:{Value:"ALKALI HYDROXIDE REDUCES ITS SOLUBILITY"},Taste:{Value:"Chalky taste"},Uses:{Value:"Mesh Heading: Antacids"}},ReducedFormula:"C1Ca1O3"},10130:{PUBCHEM:{CID:"10130","Compound Complexity":243,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(3-acetyl-2,2-dimethyl-cyclobutyl)acetic acid","IUPAC Name CAS-like Style":"2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid","IUPAC Name Markup":"2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid","IUPAC Name Preferred":"2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid","IUPAC Name Systematic":"2-(3-ethanoyl-2,2-dimethyl-cyclobutyl)ethanoic acid","IUPAC Name Traditional":"2-(3-acetyl-2,2-dimethyl-cyclobutyl)acetic acid",InChI:"1S/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)",InChIKey:"SIZDUQQDBXJXLQ-UHFFFAOYSA-N","Log P":1,"Exact Mass":184.10994437,"Molecular Formula":"C10H16O3","Molecular Weight":184.23,"Monoisotopic Mass":184.10994437,Charge:0,"Easy Name":"Pinonic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O3"},10131:{PUBCHEM:{CID:"10131","Compound Complexity":244,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"3-(carboxymethyl)-2,2-dimethyl-cyclobutanecarboxylic acid","IUPAC Name CAS-like Style":"3-(carboxymethyl)-2,2-dimethyl-1-cyclobutanecarboxylic acid","IUPAC Name Markup":"3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid","IUPAC Name Preferred":"3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid","IUPAC Name Systematic":"3-(2-hydroxy-2-oxoethyl)-2,2-dimethyl-cyclobutane-1-carboxylic acid","IUPAC Name Traditional":"3-(carboxymethyl)-2,2-dimethyl-cyclobutanecarboxylic acid",InChI:"1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)",InChIKey:"LEVONNIFUFSRKZ-UHFFFAOYSA-N","Log P":.8,"Exact Mass":186.08920893,"Molecular Formula":"C9H14O4","Molecular Weight":186.2,"Monoisotopic Mass":186.08920893,Charge:0,"Easy Name":"3- (Carboxymethyl)-2, 2-dimethylcyclobutanecarboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C9H14O4"},10132:{PUBCHEM:{CID:"10132","Compound Complexity":130,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2-oxopropanedioic acid","IUPAC Name CAS-like Style":"2-oxopropanedioic acid","IUPAC Name Markup":"2-oxopropanedioic acid","IUPAC Name Preferred":"2-oxopropanedioic acid","IUPAC Name Systematic":"2-oxidanylidenepropanedioic acid","IUPAC Name Traditional":"2-ketomalonic acid",InChI:"1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)",InChIKey:"XEEVLJKYYUVTRC-UHFFFAOYSA-N","Log P":.7,"Exact Mass":117.990223162,"Molecular Formula":"C3H2O5","Molecular Weight":118.04,"Monoisotopic Mass":117.990223162,Charge:0,"Easy Name":"Mesoxalic acid","Easy Category":"Keto acids"},HSDB:{},ReducedFormula:"C3H2O5"},10133:{PUBCHEM:{CID:"10133","Compound Complexity":605,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",InChIKey:"RUDATBOHQWOJDD-BSWAIDMHSA-N","Log P":4.9,"Exact Mass":392.29265977,"Molecular Formula":"C24H40O4","Molecular Weight":392.6,"Monoisotopic Mass":392.29265977,Charge:0,"Easy Name":"Chenodeoxycholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O4"},10138:{PUBCHEM:{CID:"10138","Compound Complexity":645,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one","IUPAC Name CAS-like Style":"3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c][1]benzopyran-9-one","IUPAC Name Markup":"3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one","IUPAC Name Preferred":"3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one","IUPAC Name Systematic":"3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one","IUPAC Name Traditional":"3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one",InChI:"1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2",InChIKey:"HLUCICHZHWJHLL-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":300.0633881,"Molecular Formula":"C16H12O6","Molecular Weight":300.26,"Monoisotopic Mass":300.0633881,Charge:0,"Easy Name":"Hematein","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C16H12O6"},10140:{PUBCHEM:{CID:"10140","Compound Complexity":759,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":6,"IUPAC Name Allowed":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid","IUPAC Name CAS-like Style":"2-[[(4R)-1-oxo-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]acetic acid","IUPAC Name Markup":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid","IUPAC Name Preferred":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid","IUPAC Name Systematic":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid","IUPAC Name Traditional":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid",InChI:"1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",InChIKey:"RFDAIACWWDREDC-FRVQLJSFSA-N","Log P":2.9,"Exact Mass":465.30903811,"Molecular Formula":"C26H43NO6","Molecular Weight":465.6,"Monoisotopic Mass":465.30903811,Charge:0,"Easy Name":"Glycocholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C26H43N1O6"},10168:{PUBCHEM:{CID:"10168","Compound Complexity":487,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"4,5-dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid","IUPAC Name CAS-like Style":"4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid","IUPAC Name Markup":"4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid","IUPAC Name Preferred":"4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid","IUPAC Name Systematic":"4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid","IUPAC Name Traditional":"4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid",InChI:"1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)",InChIKey:"FCDLCPWAQCPTKC-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":284.03208798,"Molecular Formula":"C15H8O6","Molecular Weight":284.22,"Monoisotopic Mass":284.03208798,Charge:0,"Easy Name":"Rhein","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C15H8O6"},10194:{PUBCHEM:{CID:"10194","Compound Complexity":165,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,4,6-trimethylbenzoic acid","IUPAC Name CAS-like Style":"2,4,6-trimethylbenzoic acid","IUPAC Name Markup":"2,4,6-trimethylbenzoic acid","IUPAC Name Preferred":"2,4,6-trimethylbenzoic acid","IUPAC Name Systematic":"2,4,6-trimethylbenzoic acid","IUPAC Name Traditional":"Mesitoic acid",InChI:"1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)",InChIKey:"FFFIRKXTFQCCKJ-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":164.08372963,"Molecular Formula":"C10H12O2","Molecular Weight":164.2,"Monoisotopic Mass":164.08372963,Charge:0,"Easy Name":"2, 4, 6-Trimethylbenzoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H12O2"},10208:{PUBCHEM:{CID:"10208","Compound Complexity":405,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"1,8-dihydroxy-3-methyl-anthracene-9,10-dione","IUPAC Name CAS-like Style":"1,8-dihydroxy-3-methylanthracene-9,10-dione","IUPAC Name Markup":"1,8-dihydroxy-3-methylanthracene-9,10-dione","IUPAC Name Preferred":"1,8-dihydroxy-3-methylanthracene-9,10-dione","IUPAC Name Systematic":"3-methyl-1,8-bis(oxidanyl)anthracene-9,10-dione","IUPAC Name Traditional":"1,8-dihydroxy-3-methyl-9,10-anthraquinone",InChI:"1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3",InChIKey:"LQGUBLBATBMXHT-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":254.0579088,"Molecular Formula":"C15H10O4","Molecular Weight":254.24,"Monoisotopic Mass":254.0579088,Charge:0,"Easy Name":"Chrysophanol","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"Yellow hexagonal or monoclinic needles"},Density:{Value:"0.92 g/cm cu at 25 °C"},"Melting Point":{Value:"196 °C"},Solubility:{Value:"Practically insoluble in water"},"Vapor Pressure":{Value:"3.69X10-10 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H10O4"},10210:{PUBCHEM:{CID:"10210","Compound Complexity":294,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(2-carboxyphenyl)benzoic acid","IUPAC Name CAS-like Style":"2-(2-carboxyphenyl)benzoic acid","IUPAC Name Markup":"2-(2-carboxyphenyl)benzoic acid","IUPAC Name Preferred":"2-(2-carboxyphenyl)benzoic acid","IUPAC Name Systematic":"2-(2-carboxyphenyl)benzoic acid","IUPAC Name Traditional":"Diphenic acid",InChI:"1S/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18)",InChIKey:"GWZCCUDJHOGOSO-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":242.0579088,"Molecular Formula":"C14H10O4","Molecular Weight":242.23,"Monoisotopic Mass":242.0579088,Charge:0,"Easy Name":"Diphenic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C14H10O4"},10235:{PUBCHEM:{CID:"10235","Compound Complexity":332,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one","IUPAC Name CAS-like Style":"(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one","IUPAC Name Markup":"(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one","IUPAC Name Preferred":"(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one","IUPAC Name Systematic":"(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one","IUPAC Name Traditional":"(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one",InChI:"1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1",InChIKey:"ANJTVLIZGCUXLD-DTWKUNHWSA-N","Log P":.2,"Exact Mass":190.11061308,"Molecular Formula":"C11H14N2O","Molecular Weight":190.24,"Monoisotopic Mass":190.11061308,Charge:0,"Easy Name":"Cytisine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Orthorhombic prisms from acetone"},"Melting Point":{Value:"152-153 °C (sublimes)"},Solubility:{Value:"Soluble in 13 parts acetone, 1.3 parts methanol, 3.5 parts alcohol, 30 parts benzene, 10 parts ethyl acetone, 2.0 parts chloroform; practically insoluble in petroleum ether"},Uses:{Value:"Formerly used as an antitussive and antiemetic"},"Vapor Pressure":{Value:"7.61X10-6 mm Hg at 25 °C (est)"}},ReducedFormula:"C11H14N2O1"},10236:{PUBCHEM:{CID:"10236","Compound Complexity":243,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"2,2-dihydroxyindane-1,3-dione","IUPAC Name CAS-like Style":"2,2-dihydroxyindene-1,3-dione","IUPAC Name Markup":"2,2-dihydroxyindene-1,3-dione","IUPAC Name Preferred":"2,2-dihydroxyindene-1,3-dione","IUPAC Name Systematic":"2,2-bis(oxidanyl)indene-1,3-dione","IUPAC Name Traditional":"Ninhydrin",InChI:"1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H",InChIKey:"FEMOMIGRRWSMCU-UHFFFAOYSA-N","Log P":.1,"Exact Mass":178.026608672,"Molecular Formula":"C9H6O4","Molecular Weight":178.14,"Monoisotopic Mass":178.026608672,Charge:0,"Easy Name":"Ninhydrin","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C9H6O4"},10243:{PUBCHEM:{CID:"10243","Compound Complexity":205,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Quinoline-4-carboxylic acid","IUPAC Name CAS-like Style":"4-quinolinecarboxylic acid","IUPAC Name Markup":"Quinoline-4-carboxylic acid","IUPAC Name Preferred":"Quinoline-4-carboxylic acid","IUPAC Name Systematic":"Quinoline-4-carboxylic acid","IUPAC Name Traditional":"Cinchoninic acid",InChI:"1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)",InChIKey:"VQMSRUREDGBWKT-UHFFFAOYSA-N","Log P":.5,"Exact Mass":173.047678469,"Molecular Formula":"C10H7NO2","Molecular Weight":173.17,"Monoisotopic Mass":173.047678469,Charge:0,"Easy Name":"4-Quinolinecarboxylic acid","Easy Category":"Heterocyclic compounds (2 rings)"},HSDB:{},ReducedFormula:"C10H7N1O2"},10246:{PUBCHEM:{CID:"10246","Compound Complexity":440,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one","IUPAC Name CAS-like Style":"(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one","IUPAC Name Markup":"(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one","IUPAC Name Preferred":"(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one","IUPAC Name Systematic":"(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one","IUPAC Name Traditional":"(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one",InChI:"1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11?,12?,13-/m1/s1",InChIKey:"FQEQMASDZFXSJI-WXRRBKDZSA-N","Log P":1.6,"Exact Mass":244.15756327,"Molecular Formula":"C15H20N2O","Molecular Weight":244.33,"Monoisotopic Mass":244.15756327,Charge:0,"Easy Name":" (-)-anagyrine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C15H20N2O1"},10251:{PUBCHEM:{CID:"10251","Compound Complexity":281,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-phenylchroman-4-one","IUPAC Name CAS-like Style":"2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"2-phenyl-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"2-phenyl-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"2-phenyl-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"2-phenylchroman-4-one",InChI:"1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2",InChIKey:"ZONYXWQDUYMKFB-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":224.08372963,"Molecular Formula":"C15H12O2","Molecular Weight":224.25,"Monoisotopic Mass":224.08372963,Charge:0,"Easy Name":"Flavanone","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O2"},10255:{PUBCHEM:{CID:"10255","Compound Complexity":300,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S)-3-(2-hydroxy-2-oxoethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-proline",InChI:"1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1",InChIKey:"VLSMHEGGTFMBBZ-OOZYFLPDSA-N","Log P":-1.8,"Exact Mass":213.10010797,"Molecular Formula":"C10H15NO4","Molecular Weight":213.23,"Monoisotopic Mass":213.10010797,Charge:0,"Easy Name":"Kainic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C10H15N1O4"},10257:{PUBCHEM:{CID:"10257","Compound Complexity":208,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"3-[2-(dimethylamino)ethyl]-1H-indol-5-ol","IUPAC Name CAS-like Style":"3-[2-(dimethylamino)ethyl]-1H-indol-5-ol","IUPAC Name Markup":"3-[2-(dimethylamino)ethyl]-1H-indol-5-ol","IUPAC Name Preferred":"3-[2-(dimethylamino)ethyl]-1H-indol-5-ol","IUPAC Name Systematic":"3-[2-(dimethylamino)ethyl]-1H-indol-5-ol","IUPAC Name Traditional":"3-[2-(dimethylamino)ethyl]-1H-indol-5-ol",InChI:"1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3",InChIKey:"VTTONGPRPXSUTJ-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":204.12626314,"Molecular Formula":"C12H16N2O","Molecular Weight":204.27,"Monoisotopic Mass":204.12626314,Charge:0,"Easy Name":"Bufotenin","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C12H16N2O1"},10263:{PUBCHEM:{CID:"10263","Compound Complexity":92.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3,4-tetramethylbenzene","IUPAC Name CAS-like Style":"1,2,3,4-tetramethylbenzene","IUPAC Name Markup":"1,2,3,4-tetramethylbenzene","IUPAC Name Preferred":"1,2,3,4-tetramethylbenzene","IUPAC Name Systematic":"1,2,3,4-tetramethylbenzene","IUPAC Name Traditional":"Prehnitene",InChI:"1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3",InChIKey:"UOHMMEJUHBCKEE-UHFFFAOYSA-N","Log P":4,"Exact Mass":134.10955045,"Molecular Formula":"C10H14","Molecular Weight":134.22,"Monoisotopic Mass":134.10955045,Charge:0,"Easy Name":"1, 2, 3, 4-Tetramethylbenzene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C10H14"},10273:{PUBCHEM:{CID:"10273","Compound Complexity":204,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Pyridine-3,4-dicarboxylic acid","IUPAC Name CAS-like Style":"Pyridine-3,4-dicarboxylic acid","IUPAC Name Markup":"Pyridine-3,4-dicarboxylic acid","IUPAC Name Preferred":"Pyridine-3,4-dicarboxylic acid","IUPAC Name Systematic":"Pyridine-3,4-dicarboxylic acid","IUPAC Name Traditional":"Cinchomeronic acid",InChI:"1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)",InChIKey:"MUYSADWCWFFZKR-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":167.021857644,"Molecular Formula":"C7H5NO4","Molecular Weight":167.12,"Monoisotopic Mass":167.021857644,Charge:0,"Easy Name":"Cinchomeronic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H5N1O4"},10276:{PUBCHEM:{CID:"10276","Compound Complexity":218,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2,4,5-trimethoxybenzoic acid","IUPAC Name CAS-like Style":"2,4,5-trimethoxybenzoic acid","IUPAC Name Markup":"2,4,5-trimethoxybenzoic acid","IUPAC Name Preferred":"2,4,5-trimethoxybenzoic acid","IUPAC Name Systematic":"2,4,5-trimethoxybenzoic acid","IUPAC Name Traditional":"2,4,5-trimethoxybenzoic acid",InChI:"1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)",InChIKey:"KVZUCOGWKYOPID-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":212.06847348,"Molecular Formula":"C10H12O5","Molecular Weight":212.2,"Monoisotopic Mass":212.06847348,Charge:0,"Easy Name":"Asaronic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H12O5"},10296:{PUBCHEM:{CID:"10296","Compound Complexity":137,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-phenylpropanoic acid","IUPAC Name CAS-like Style":"2-phenylpropanoic acid","IUPAC Name Markup":"2-phenylpropanoic acid","IUPAC Name Preferred":"2-phenylpropanoic acid","IUPAC Name Systematic":"2-phenylpropanoic acid","IUPAC Name Traditional":"Hydratropic acid",InChI:"1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)",InChIKey:"YPGCWEMNNLXISK-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":150.068079562,"Molecular Formula":"C9H10O2","Molecular Weight":150.17,"Monoisotopic Mass":150.068079562,Charge:0,"Easy Name":"Hydratropic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H10O2"},10297:{PUBCHEM:{CID:"10297","Compound Complexity":110,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1R,2S)-2-amino-1-phenyl-propan-1-ol","IUPAC Name CAS-like Style":"(1R,2S)-2-amino-1-phenyl-1-propanol","IUPAC Name Markup":"(1R,2S)-2-amino-1-phenylpropan-1-ol","IUPAC Name Preferred":"(1R,2S)-2-amino-1-phenylpropan-1-ol","IUPAC Name Systematic":"(1R,2S)-2-azanyl-1-phenyl-propan-1-ol","IUPAC Name Traditional":"(1R,2S)-2-amino-1-phenyl-propan-1-ol",InChI:"1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1",InChIKey:"DLNKOYKMWOXYQA-CBAPKCEASA-N","Log P":.8,"Exact Mass":151.09971404,"Molecular Formula":"C9H13NO","Molecular Weight":151.21,"Monoisotopic Mass":151.09971404,Charge:0,"Easy Name":"Phenylpropanolamine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"White, crystalline powder"},"Melting Point":{Value:"101-101.5 °C"},Odor:{Value:"Slight aromatic odor"},Solubility:{Value:"Freely soluble in water and alcohol"},Uses:{Value:"Used as a raw material in cold and diet tablets /Hydrochloride/"},"Vapor Pressure":{Value:"8.67X10-4 mm Hg at 25 °C (est)"}},ReducedFormula:"C9H13N1O1"},10303:{PUBCHEM:{CID:"10303","Compound Complexity":349,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-[4-(dimethylamino)phenyl]azobenzoic acid","IUPAC Name CAS-like Style":"2-[4-(dimethylamino)phenyl]azobenzoic acid","IUPAC Name Markup":"2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid","IUPAC Name Preferred":"2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid","IUPAC Name Systematic":"2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid","IUPAC Name Traditional":"2-[4-(dimethylamino)phenyl]azobenzoic acid",InChI:"1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)",InChIKey:"CEQFOVLGLXCDCX-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":269.11642674,"Molecular Formula":"C15H15N3O2","Molecular Weight":269.3,"Monoisotopic Mass":269.11642674,Charge:0,"Easy Name":"Methyl red","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"GLISTENING, VIOLET CRYSTALS FROM TOLUENE"},"Melting Point":{Value:"181-182 °C"},Solubility:{Value:"ALMOST INSOL IN WATER; SOL IN ALC & ACETIC ACID"},Uses:{Value:"AS INDICATOR IN 0.1% ALCOHOLIC SOLN; PH: 4.4 RED, 6.2 YELLOW; USED FOR TITRATING NH3, WEAK ORG BASES, EG, ALKALOIDS; NOT SUITABLE FOR ORG ACIDS, EXCEPT OXALIC & PICRIC ACID"}},ReducedFormula:"C15H15N3O2"},10326:{PUBCHEM:{CID:"10326","Compound Complexity":84.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Indane","IUPAC Name CAS-like Style":"2,3-dihydro-1H-indene","IUPAC Name Markup":"2,3-dihydro-1H-indene","IUPAC Name Preferred":"2,3-dihydro-1H-indene","IUPAC Name Systematic":"2,3-dihydro-1H-indene","IUPAC Name Traditional":"Indane",InChI:"1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2",InChIKey:"PQNFLJBBNBOBRQ-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":118.078250322,"Molecular Formula":"C9H10","Molecular Weight":118.18,"Monoisotopic Mass":118.078250322,Charge:0,"Easy Name":"Indane","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C9H10"},10329:{PUBCHEM:{CID:"10329","Compound Complexity":101,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,3-dihydrobenzofuran","IUPAC Name CAS-like Style":"2,3-dihydrobenzofuran","IUPAC Name Markup":"2,3-dihydro-1-benzofuran","IUPAC Name Preferred":"2,3-dihydro-1-benzofuran","IUPAC Name Systematic":"2,3-dihydro-1-benzofuran","IUPAC Name Traditional":"Coumaran",InChI:"1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",InChIKey:"HBEDSQVIWPRPAY-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":120.057514878,"Molecular Formula":"C8H8O","Molecular Weight":120.15,"Monoisotopic Mass":120.057514878,Charge:0,"Easy Name":"Dihydrobenzofuran","Easy Category":"Heterocyclic compounds (2 rings)"},HSDB:{},ReducedFormula:"C8H8O1"},10331:{PUBCHEM:{CID:"10331","Compound Complexity":190,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Benzofuran-2-carboxylic acid","IUPAC Name CAS-like Style":"2-benzofurancarboxylic acid","IUPAC Name Markup":"1-benzofuran-2-carboxylic acid","IUPAC Name Preferred":"1-benzofuran-2-carboxylic acid","IUPAC Name Systematic":"1-benzofuran-2-carboxylic acid","IUPAC Name Traditional":"Coumarilic acid",InChI:"1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)",InChIKey:"OFFSPAZVIVZPHU-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":162.031694052,"Molecular Formula":"C9H6O3","Molecular Weight":162.14,"Monoisotopic Mass":162.031694052,Charge:0,"Easy Name":"Coumarilic acid","Easy Category":"Heterocyclic compounds (2 rings)"},HSDB:{},ReducedFormula:"C9H6O3"},10340:{PUBCHEM:{CID:"10340","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;carbonate","IUPAC Name CAS-like Style":"Disodium;carbonate","IUPAC Name Markup":"Disodium;carbonate","IUPAC Name Preferred":"Disodium;carbonate","IUPAC Name Systematic":"Disodium;carbonate","IUPAC Name Traditional":"Disodium;carbonate",InChI:"1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",InChIKey:"CDBYLPFSWZWCQE-UHFFFAOYSA-L","Exact Mass":105.96428242,"Molecular Formula":"CNa2O3","Molecular Weight":105.988,"Monoisotopic Mass":105.96428242,Charge:0,"Easy Name":"Sodium carbonate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes on heating by CO2 loss"},"Color And Form":{Value:"Grayish-white powder or lumps containing up to 99% sodium carbonate"},Density:{Value:"2.54 g/cu cm"},"Melting Point":{Value:"856 °C"},Odor:{Value:"Odorless"},pH:{Value:"Aqueous solutions are strongly alkaline. At 25 °C, the pH of 1, 5 and 10 wt% sodium carbonate solutions are 11.37, 11.58 and 11.70, respectively."},"Refractive Index":{Value:"Index of refraction: 1.535"},Solubility:{Value:"In water, 30.7 g/100 g water at 25 °C"},Taste:{Value:"Tasteless"},Uses:{Value:"For sodium carbonate (USEPA/OPP Pesticide Code: 073506) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C1Na2O3"},10347:{PUBCHEM:{CID:"10347","Compound Complexity":387,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"3-hydroxy-4-oxo-pyran-2,6-dicarboxylic acid","IUPAC Name CAS-like Style":"3-hydroxy-4-oxopyran-2,6-dicarboxylic acid","IUPAC Name Markup":"3-hydroxy-4-oxopyran-2,6-dicarboxylic acid","IUPAC Name Preferred":"3-hydroxy-4-oxopyran-2,6-dicarboxylic acid","IUPAC Name Systematic":"3-oxidanyl-4-oxidanylidene-pyran-2,6-dicarboxylic acid","IUPAC Name Traditional":"3-hydroxy-4-keto-pyran-2,6-dicarboxylic acid",InChI:"1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)",InChIKey:"ZEGRKMXCOCRTCS-UHFFFAOYSA-N","Log P":0,"Exact Mass":199.99570247,"Molecular Formula":"C7H4O7","Molecular Weight":200.1,"Monoisotopic Mass":199.99570247,Charge:0,"Easy Name":"Meconic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C7H4O7"},10349:{PUBCHEM:{CID:"10349","Compound Complexity":129,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"2-methylbutanedioic acid","IUPAC Name CAS-like Style":"2-methylbutanedioic acid","IUPAC Name Markup":"2-methylbutanedioic acid","IUPAC Name Preferred":"2-methylbutanedioic acid","IUPAC Name Systematic":"2-methylbutanedioic acid","IUPAC Name Traditional":"2-methylsuccinic acid",InChI:"1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)",InChIKey:"WXUAQHNMJWJLTG-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":132.042258736,"Molecular Formula":"C5H8O4","Molecular Weight":132.11,"Monoisotopic Mass":132.042258736,Charge:0,"Easy Name":"2-Methylsuccinic Acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C5H8O4"},10355:{PUBCHEM:{CID:"10355","Compound Complexity":174,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid","IUPAC Name CAS-like Style":"1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid","IUPAC Name Markup":"1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid","IUPAC Name Preferred":"1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid","IUPAC Name Systematic":"1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid","IUPAC Name Traditional":"Arecaidine",InChI:"1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)",InChIKey:"DNJFTXKSFAMXQF-UHFFFAOYSA-N","Log P":-2.3,"Exact Mass":141.0789786,"Molecular Formula":"C7H11NO2","Molecular Weight":141.17,"Monoisotopic Mass":141.0789786,Charge:0,"Easy Name":"Arecaidine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C7H11N1O2"},10356:{PUBCHEM:{CID:"10356","Compound Complexity":144,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3,5-dimethylbenzoic acid","IUPAC Name CAS-like Style":"3,5-dimethylbenzoic acid","IUPAC Name Markup":"3,5-dimethylbenzoic acid","IUPAC Name Preferred":"3,5-dimethylbenzoic acid","IUPAC Name Systematic":"3,5-dimethylbenzoic acid","IUPAC Name Traditional":"Mesitylenic acid",InChI:"1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)",InChIKey:"UMVOQQDNEYOJOK-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":150.068079562,"Molecular Formula":"C9H10O2","Molecular Weight":150.17,"Monoisotopic Mass":150.068079562,Charge:0,"Easy Name":"Mesitylenic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H10O2"},10364:{PUBCHEM:{CID:"10364","Compound Complexity":120,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"5-isopropyl-2-methyl-phenol","IUPAC Name CAS-like Style":"2-methyl-5-propan-2-ylphenol","IUPAC Name Markup":"2-methyl-5-propan-2-ylphenol","IUPAC Name Preferred":"2-methyl-5-propan-2-ylphenol","IUPAC Name Systematic":"2-methyl-5-propan-2-yl-phenol","IUPAC Name Traditional":"Carvacrol",InChI:"1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",InChIKey:"RECUKUPTGUEGMW-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":150.10446507,"Molecular Formula":"C10H14O","Molecular Weight":150.22,"Monoisotopic Mass":150.10446507,Charge:0,"Easy Name":"Carvacrol","Easy Category":"Phenols"},HSDB:{"Boiling Point":{Value:"237-238 °C @ 760 MM HG"},"Color And Form":{Value:"NEEDLES"},Density:{Value:"0.976 @ 20 °C/4 °C"},"Melting Point":{Value:"1 °C"},Odor:{Value:"THYMOL ODOR"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.5230 @ 20 °C/D; MAX ABSORPTION (ALCOHOL): 277.5 NM (LOG E= 3.26); SADTLER REFERENCE NUMBER: 2470 (IR, PRISM)"},Solubility:{Value:"SLIGHTLY SOL IN WATER; SOL IN ETHANOL, ETHER, ALKALIS; VERY SOLUBLE IN ACETONE"},Taste:{Value:"EXCELLENT SMOKE TASTE, @ 1-5 PPM"},Uses:{Value:"DISINFECTANT; IN ORGANIC SYNTHESES"}},ReducedFormula:"C10H14O1"},10365:{PUBCHEM:{CID:"10365","Compound Complexity":204,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Pyridine-2,4-dicarboxylic acid","IUPAC Name CAS-like Style":"Pyridine-2,4-dicarboxylic acid","IUPAC Name Markup":"Pyridine-2,4-dicarboxylic acid","IUPAC Name Preferred":"Pyridine-2,4-dicarboxylic acid","IUPAC Name Systematic":"Pyridine-2,4-dicarboxylic acid","IUPAC Name Traditional":"Lutidinic acid",InChI:"1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)",InChIKey:"MJIVRKPEXXHNJT-UHFFFAOYSA-N","Log P":.2,"Exact Mass":167.021857644,"Molecular Formula":"C7H5NO4","Molecular Weight":167.12,"Monoisotopic Mass":167.021857644,Charge:0,"Easy Name":"2, 4-Pyridinedicarboxylic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H5N1O4"},10366:{PUBCHEM:{CID:"10366","Compound Complexity":184,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Pyridine-3,5-dicarboxylic acid","IUPAC Name CAS-like Style":"Pyridine-3,5-dicarboxylic acid","IUPAC Name Markup":"Pyridine-3,5-dicarboxylic acid","IUPAC Name Preferred":"Pyridine-3,5-dicarboxylic acid","IUPAC Name Systematic":"Pyridine-3,5-dicarboxylic acid","IUPAC Name Traditional":"Dinicotinic acid",InChI:"1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)",InChIKey:"MPFLRYZEEAQMLQ-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":167.021857644,"Molecular Formula":"C7H5NO4","Molecular Weight":167.12,"Monoisotopic Mass":167.021857644,Charge:0,"Easy Name":"Dinicotinic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H5N1O4"},10367:{PUBCHEM:{CID:"10367","Compound Complexity":184,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Pyridine-2,6-dicarboxylic acid","IUPAC Name CAS-like Style":"Pyridine-2,6-dicarboxylic acid","IUPAC Name Markup":"Pyridine-2,6-dicarboxylic acid","IUPAC Name Preferred":"Pyridine-2,6-dicarboxylic acid","IUPAC Name Systematic":"Pyridine-2,6-dicarboxylic acid","IUPAC Name Traditional":"Dipicolinic acid",InChI:"1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)",InChIKey:"WJJMNDUMQPNECX-UHFFFAOYSA-N","Log P":.6,"Exact Mass":167.021857644,"Molecular Formula":"C7H5NO4","Molecular Weight":167.12,"Monoisotopic Mass":167.021857644,Charge:0,"Easy Name":"Dipicolinic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H5N1O4"},10383:{PUBCHEM:{CID:"10383","Compound Complexity":104,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"3,5-dimethoxyphenol","IUPAC Name CAS-like Style":"3,5-dimethoxyphenol","IUPAC Name Markup":"3,5-dimethoxyphenol","IUPAC Name Preferred":"3,5-dimethoxyphenol","IUPAC Name Systematic":"3,5-dimethoxyphenol","IUPAC Name Traditional":"3,5-dimethoxyphenol",InChI:"1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3",InChIKey:"XQDNFAMOIPNVES-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":154.06299418,"Molecular Formula":"C8H10O3","Molecular Weight":154.16,"Monoisotopic Mass":154.06299418,Charge:0,"Easy Name":"3, 5-Dimethoxyphenol","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C8H10O3"},10392:{PUBCHEM:{CID:"10392","Compound Complexity":119,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"Phenylcarbamic acid","IUPAC Name CAS-like Style":"Phenylcarbamic acid","IUPAC Name Markup":"Phenylcarbamic acid","IUPAC Name Preferred":"Phenylcarbamic acid","IUPAC Name Systematic":"Phenylcarbamic acid","IUPAC Name Traditional":"Phenylcarbamic acid",InChI:"1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)",InChIKey:"PWXJULSLLONQHY-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":137.047678469,"Molecular Formula":"C7H7NO2","Molecular Weight":137.14,"Monoisotopic Mass":137.047678469,Charge:0,"Easy Name":"Carbanilic acid","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C7H7N1O2"},10394:{PUBCHEM:{CID:"10394","Compound Complexity":148,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"3-(4-hydroxyphenyl)propanoic acid","IUPAC Name CAS-like Style":"3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Markup":"3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Preferred":"3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Systematic":"3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Traditional":"3-(4-hydroxyphenyl)propionic acid",InChI:"1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)",InChIKey:"NMHMNPHRMNGLLB-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":166.06299418,"Molecular Formula":"C9H10O3","Molecular Weight":166.17,"Monoisotopic Mass":166.06299418,Charge:0,"Easy Name":"Phloretic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C9H10O3"},10408:{PUBCHEM:{CID:"10408","Compound Complexity":220,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":12,"IUPAC Name Allowed":"6,10,14-trimethylpentadecan-2-one","IUPAC Name CAS-like Style":"6,10,14-trimethyl-2-pentadecanone","IUPAC Name Markup":"6,10,14-trimethylpentadecan-2-one","IUPAC Name Preferred":"6,10,14-trimethylpentadecan-2-one","IUPAC Name Systematic":"6,10,14-trimethylpentadecan-2-one","IUPAC Name Traditional":"6,10,14-trimethylpentadecan-2-one",InChI:"1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3",InChIKey:"WHWDWIHXSPCOKZ-UHFFFAOYSA-N","Log P":6.9,"Exact Mass":268.27661578,"Molecular Formula":"C18H36O","Molecular Weight":268.5,"Monoisotopic Mass":268.27661578,Charge:0,"Easy Name":"Hexahydrofarnesylacetone","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C18H36O1"},10413:{PUBCHEM:{CID:"10413","Compound Complexity":60,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"4-hydroxybutanoic acid","IUPAC Name CAS-like Style":"4-hydroxybutanoic acid","IUPAC Name Markup":"4-hydroxybutanoic acid","IUPAC Name Preferred":"4-hydroxybutanoic acid","IUPAC Name Systematic":"4-oxidanylbutanoic acid","IUPAC Name Traditional":"4-hydroxybutyric acid",InChI:"1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)",InChIKey:"SJZRECIVHVDYJC-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":104.047344117,"Molecular Formula":"C4H8O3","Molecular Weight":104.1,"Monoisotopic Mass":104.047344117,Charge:0,"Easy Name":"Gamma-Hydroxybutyric acid","Easy Category":"Hydroxy acids"},HSDB:{"Boiling Point":{Value:"180 °C (dec)"},"Color And Form":{Value:"Viscid yellow mass"},"Melting Point":{Value:"48-50 °C"},Solubility:{Value:"Very soluble in water, alcohol and ether."},Uses:{Value:"This is a Schedule I controlled substance."},"Vapor Pressure":{Value:"0.13 mm Hg at 25 °C (est)"}},ReducedFormula:"C4H8O3"},10416:{PUBCHEM:{CID:"10416","Compound Complexity":305,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":14,"IUPAC Name Allowed":"7-(2-octylcyclopropen-1-yl)heptanoic acid","IUPAC Name CAS-like Style":"7-(2-octyl-1-cyclopropenyl)heptanoic acid","IUPAC Name Markup":"7-(2-octylcyclopropen-1-yl)heptanoic acid","IUPAC Name Preferred":"7-(2-octylcyclopropen-1-yl)heptanoic acid","IUPAC Name Systematic":"7-(2-octylcyclopropen-1-yl)heptanoic acid","IUPAC Name Traditional":"7-(2-octylcyclopropen-1-yl)enanthic acid",InChI:"1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",InChIKey:"HPSSZFFAYWBIPY-UHFFFAOYSA-N","Log P":6.2,"Exact Mass":280.24023027,"Molecular Formula":"C18H32O2","Molecular Weight":280.4,"Monoisotopic Mass":280.24023027,Charge:0,"Easy Name":"Malvalic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H32O2"},10417:{PUBCHEM:{CID:"10417","Compound Complexity":262,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":15,"IUPAC Name Allowed":"10-(2-hexylcyclopropyl)decanoic acid","IUPAC Name CAS-like Style":"10-(2-hexylcyclopropyl)decanoic acid","IUPAC Name Markup":"10-(2-hexylcyclopropyl)decanoic acid","IUPAC Name Preferred":"10-(2-hexylcyclopropyl)decanoic acid","IUPAC Name Systematic":"10-(2-hexylcyclopropyl)decanoic acid","IUPAC Name Traditional":"10-(2-hexylcyclopropyl)capric acid",InChI:"1S/C19H36O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)",InChIKey:"IJKRDVKGCQRKBI-UHFFFAOYSA-N","Log P":7.2,"Exact Mass":296.2715304,"Molecular Formula":"C19H36O2","Molecular Weight":296.5,"Monoisotopic Mass":296.2715304,Charge:0,"Easy Name":"Phytomonic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C19H36O2"},10419:{PUBCHEM:{CID:"10419","Compound Complexity":42.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"But-2-yne","IUPAC Name CAS-like Style":"2-butyne","IUPAC Name Markup":"But-2-yne","IUPAC Name Preferred":"But-2-yne","IUPAC Name Systematic":"But-2-yne","IUPAC Name Traditional":"But-2-yne",InChI:"1S/C4H6/c1-3-4-2/h1-2H3",InChIKey:"XNMQEEKYCVKGBD-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":54.046950193,"Molecular Formula":"C4H6","Molecular Weight":54.09,"Monoisotopic Mass":54.046950193,Charge:0,"Easy Name":"Dimethylacetylene","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C4H6"},10421:{PUBCHEM:{CID:"10421","Compound Complexity":19.2,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dimethyldiazene","IUPAC Name CAS-like Style":"Dimethyldiazene","IUPAC Name Markup":"Dimethyldiazene","IUPAC Name Preferred":"Dimethyldiazene","IUPAC Name Systematic":"Dimethyldiazene","IUPAC Name Traditional":"Dimethyldiazene",InChI:"1S/C2H6N2/c1-3-4-2/h1-2H3",InChIKey:"JCCAVOLDXDEODY-UHFFFAOYSA-N","Log P":.4,"Exact Mass":58.053098202,"Molecular Formula":"C2H6N2","Molecular Weight":58.08,"Monoisotopic Mass":58.053098202,Charge:0,"Easy Name":"Azomethane","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C2H6N2"},10422:{PUBCHEM:{CID:"10422","Compound Complexity":17.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Azetidine","IUPAC Name CAS-like Style":"Azetidine","IUPAC Name Markup":"Azetidine","IUPAC Name Preferred":"Azetidine","IUPAC Name Systematic":"Azetidine","IUPAC Name Traditional":"Azetidine",InChI:"1S/C3H7N/c1-2-4-3-1/h4H,1-3H2",InChIKey:"HONIICLYMWZJFZ-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":57.05784923,"Molecular Formula":"C3H7N","Molecular Weight":57.09,"Monoisotopic Mass":57.05784923,Charge:0,"Easy Name":"Azetidine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H7N1"},10430:{PUBCHEM:{CID:"10430","Compound Complexity":66.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"3-methylbutanoic acid","IUPAC Name CAS-like Style":"3-methylbutanoic acid","IUPAC Name Markup":"3-methylbutanoic acid","IUPAC Name Preferred":"3-methylbutanoic acid","IUPAC Name Systematic":"3-methylbutanoic acid","IUPAC Name Traditional":"3-methylbutyric acid",InChI:"1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",InChIKey:"GWYFCOCPABKNJV-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"Isovaleric acid","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"176.5 °C @ 760 MM HG"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.931 @ 20 °C/4 °C"},"Heat Of Vaporization":{Value:"12,951.1 GCAL/GMOL"},"Melting Point":{Value:"-29.3 °C"},Odor:{Value:"DISAGREEABLE, RANCID-CHEESE ODOR"},"Refractive Index":{Value:"Index of refraction = 1.4033 at 20 °C/D"},Solubility:{Value:"SOL IN 24 PARTS WATER; SOL IN ALCOHOL, ETHER, CHLOROFORM"},Taste:{Value:"ACID TASTE"},Uses:{Value:"FRAGRANCE INGREDIENT IN PERFUMES; FLAVOR INGREDIENT IN PERFUMES, NON-ALC BEVERAGES, FOODS; CHEM INT FOR SEDATIVES"},"Vapor Pressure":{Value:"0.44 mm Hg at 25 °C"}},ReducedFormula:"C5H10O2"},10439:{PUBCHEM:{CID:"10439","Compound Complexity":54,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyridin-2-amine","IUPAC Name CAS-like Style":"2-pyridinamine","IUPAC Name Markup":"Pyridin-2-amine","IUPAC Name Preferred":"Pyridin-2-amine","IUPAC Name Systematic":"Pyridin-2-amine","IUPAC Name Traditional":"2-pyridylamine",InChI:"1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)",InChIKey:"ICSNLGPSRYBMBD-UHFFFAOYSA-N","Log P":.5,"Exact Mass":94.053098202,"Molecular Formula":"C5H6N2","Molecular Weight":94.11,"Monoisotopic Mass":94.053098202,Charge:0,"Easy Name":"2-Aminopyridine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"210.6 °C"},"Color And Form":{Value:"White leaflets or large colorless crystals"},Density:{Value:"1.065 @ 20 °C/4 °C"},"Melting Point":{Value:"58.1 °C"},Odor:{Value:"Characteristic odor"},pH:{Value:"BASE"},Solubility:{Value:"Soluble in alcohol, benzene, ether, and hot petrol ether"},Uses:{Value:"Intermediate in chemical synthesis"},"Vapor Density":{Value:"3.25 (Air= 1)"}},ReducedFormula:"C5H6N2"},10442:{PUBCHEM:{CID:"10442","Compound Complexity":12.4,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Propane-1,3-diol","IUPAC Name CAS-like Style":"Propane-1,3-diol","IUPAC Name Markup":"Propane-1,3-diol","IUPAC Name Preferred":"Propane-1,3-diol","IUPAC Name Systematic":"Propane-1,3-diol","IUPAC Name Traditional":"Propane-1,3-diol",InChI:"1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2",InChIKey:"YPFDHNVEDLHUCE-UHFFFAOYSA-N","Log P":-1,"Exact Mass":76.052429497,"Molecular 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Systematic":"7,11,15-trimethyl-3-methylidene-hexadec-1-ene","IUPAC Name Traditional":"2-(4,8,12-trimethyltridecyl)buta-1,3-diene",InChI:"1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3",InChIKey:"NIDGCIPAMWNKOA-UHFFFAOYSA-N","Log P":9.6,"Exact Mass":278.29735123,"Molecular Formula":"C20H38","Molecular Weight":278.5,"Monoisotopic Mass":278.29735123,Charge:0,"Easy Name":"Neophytadiene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C20H38"},10450:{PUBCHEM:{CID:"10450","Compound Complexity":32.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3-dioxane","IUPAC Name CAS-like Style":"1,3-dioxane","IUPAC Name Markup":"1,3-dioxane","IUPAC Name Preferred":"1,3-dioxane","IUPAC Name Systematic":"1,3-dioxane","IUPAC Name Traditional":"1,3-dioxane",InChI:"1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2",InChIKey:"VDFVNEFVBPFDSB-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":88.052429497,"Molecular Formula":"C4H8O2","Molecular 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acid",InChI:"1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",InChIKey:"TYFQFVWCELRYAO-UHFFFAOYSA-N","Log P":1,"Exact Mass":174.08920893,"Molecular Formula":"C8H14O4","Molecular Weight":174.19,"Monoisotopic Mass":174.08920893,Charge:0,"Easy Name":"Suberic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C8H14O4"},10459:{PUBCHEM:{CID:"10459","Compound Complexity":225,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":15,"IUPAC Name Allowed":"Hexadecanedioic acid","IUPAC Name CAS-like Style":"Hexadecanedioic acid","IUPAC Name Markup":"Hexadecanedioic acid","IUPAC Name Preferred":"Hexadecanedioic acid","IUPAC Name Systematic":"Hexadecanedioic acid","IUPAC Name Traditional":"Thapsic acid",InChI:"1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)",InChIKey:"QQHJDPROMQRDLA-UHFFFAOYSA-N","Log P":5.4,"Exact Mass":286.21440945,"Molecular Formula":"C16H30O4","Molecular Weight":286.41,"Monoisotopic Mass":286.21440945,Charge:0,"Easy Name":"Hexadecanedioic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C16H30O4"},10460:{PUBCHEM:{CID:"10460","Compound Complexity":64.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hex-2-enal","IUPAC Name CAS-like Style":"2-hexenal","IUPAC Name Markup":"Hex-2-enal","IUPAC Name Preferred":"Hex-2-enal","IUPAC Name Systematic":"Hex-2-enal","IUPAC Name Traditional":"Hex-2-enal",InChI:"1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3",InChIKey:"MBDOYVRWFFCFHM-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":98.073164942,"Molecular Formula":"C6H10O","Molecular Weight":98.14,"Monoisotopic Mass":98.073164942,Charge:0,"Easy Name":"2-Hexenal","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1"},10465:{PUBCHEM:{CID:"10465","Compound Complexity":190,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":15,"IUPAC Name Allowed":"Heptadecanoic acid","IUPAC Name CAS-like Style":"Heptadecanoic acid","IUPAC Name Markup":"Heptadecanoic acid","IUPAC Name Preferred":"Heptadecanoic acid","IUPAC Name Systematic":"Heptadecanoic acid","IUPAC Name Traditional":"Heptadecanoic acid",InChI:"1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",InChIKey:"KEMQGTRYUADPNZ-UHFFFAOYSA-N","Log P":6.9,"Exact Mass":270.25588034,"Molecular Formula":"C17H34O2","Molecular Weight":270.5,"Monoisotopic Mass":270.25588034,Charge:0,"Easy Name":"Heptadecanoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C17H34O2"},10467:{PUBCHEM:{CID:"10467","Compound Complexity":226,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":18,"IUPAC Name Allowed":"Icosanoic acid","IUPAC Name CAS-like Style":"Eicosanoic acid","IUPAC Name Markup":"Icosanoic acid","IUPAC Name Preferred":"Icosanoic acid","IUPAC Name Systematic":"Icosanoic acid","IUPAC Name Traditional":"Arachidic acid",InChI:"1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",InChIKey:"VKOBVWXKNCXXDE-UHFFFAOYSA-N","Log P":8.5,"Exact Mass":312.30283053,"Molecular Formula":"C20H40O2","Molecular Weight":312.5,"Monoisotopic Mass":312.30283053,Charge:0,"Easy Name":"Arachidic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C20H40O2"},10468:{PUBCHEM:{CID:"10468","Compound Complexity":288,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":23,"IUPAC Name Allowed":"Pentacosanoic acid","IUPAC Name CAS-like Style":"Pentacosanoic acid","IUPAC Name Markup":"Pentacosanoic acid","IUPAC Name Preferred":"Pentacosanoic acid","IUPAC Name Systematic":"Pentacosanoic acid","IUPAC Name Traditional":"Pentacosanoic acid",InChI:"1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)",InChIKey:"MWMPEAHGUXCSMY-UHFFFAOYSA-N","Log P":11.2,"Exact Mass":382.38108085,"Molecular Formula":"C25H50O2","Molecular Weight":382.7,"Monoisotopic Mass":382.38108085,Charge:0,"Easy Name":"Pentacosylic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C25H50O2"},10469:{PUBCHEM:{CID:"10469","Compound Complexity":301,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":24,"IUPAC Name Allowed":"Hexacosanoic acid","IUPAC Name CAS-like Style":"Hexacosanoic acid","IUPAC Name Markup":"Hexacosanoic acid","IUPAC Name Preferred":"Hexacosanoic acid","IUPAC Name Systematic":"Hexacosanoic acid","IUPAC Name Traditional":"Cerotic acid",InChI:"1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",InChIKey:"XMHIUKTWLZUKEX-UHFFFAOYSA-N","Log P":11.8,"Exact Mass":396.39673092,"Molecular Formula":"C26H52O2","Molecular Weight":396.7,"Monoisotopic Mass":396.39673092,Charge:0,"Easy Name":"Cerotic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C26H52O2"},10470:{PUBCHEM:{CID:"10470","Compound 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Name Preferred":"Triacontanoic acid","IUPAC Name Systematic":"Triacontanoic acid","IUPAC Name Traditional":"Melissic acid",InChI:"1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)",InChIKey:"VHOCUJPBKOZGJD-UHFFFAOYSA-N","Log P":13.9,"Exact Mass":452.45933117,"Molecular Formula":"C30H60O2","Molecular Weight":452.8,"Monoisotopic Mass":452.45933117,Charge:0,"Easy Name":"Melissic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C30H60O2"},10473:{PUBCHEM:{CID:"10473","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"N-methylmethanamine;hydrochloride","IUPAC Name CAS-like Style":"N-methylmethanamine;hydrochloride","IUPAC Name Markup":"N-methylmethanamine;hydrochloride","IUPAC Name Preferred":"N-methylmethanamine;hydrochloride","IUPAC Name Systematic":"N-methylmethanamine;hydrochloride","IUPAC Name Traditional":"Dimethylamine;hydrochloride",InChI:"1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H",InChIKey:"IQDGSYLLQPDQDV-UHFFFAOYSA-N","Exact Mass":81.034527,"Molecular Formula":"C2H8ClN","Molecular Weight":81.54,"Monoisotopic Mass":81.034527,Charge:0,"Easy Name":"Dimethylamine hydrochloride","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C2Cl1H8N1"},10474:{PUBCHEM:{CID:"10474","Compound Complexity":10,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;silver;dicyanide","IUPAC Name CAS-like Style":"Potassium;silver;dicyanide","IUPAC Name Markup":"Potassium;silver;dicyanide","IUPAC Name Preferred":"Potassium;silver;dicyanide","IUPAC Name Systematic":"Potassium;silver;dicyanide","IUPAC Name Traditional":"Potassium;silver;dicyanide",InChI:"1S/2CN.Ag.K/c2*1-2;;/q2*-1;2*+1",InChIKey:"HKSGQTYSSZOJOA-UHFFFAOYSA-N","Exact Mass":197.87495,"Molecular Formula":"C2AgKN2","Molecular Weight":199,"Monoisotopic Mass":197.87495,Charge:0,"Easy Name":"Potassium dicyanoargentate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystals"},Density:{Value:"2.36 @ 25 °C"},"Refractive Index":{Value:"Index of refraction: 1.625"},Solubility:{Value:"Sol in water and alcohol"},Uses:{Value:"In silver plating; as bactericide"}},ReducedFormula:"Ag1C2K1N2"},10475:{PUBCHEM:{CID:"10475","Compound Complexity":12.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;cyanide","IUPAC Name CAS-like Style":"Silver;cyanide","IUPAC Name Markup":"Silver;cyanide","IUPAC Name Preferred":"Silver;cyanide","IUPAC Name Systematic":"Silver;cyanide","IUPAC Name Traditional":"Silver;cyanide",InChI:"1S/CN.Ag/c1-2;/q-1;+1",InChIKey:"LFAGQMCIGQNPJG-UHFFFAOYSA-N","Exact Mass":132.90817,"Molecular Formula":"CAgN","Molecular Weight":133.886,"Monoisotopic Mass":132.90817,Charge:0,"Easy Name":"Silver cyanide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White or grayish powder"},Density:{Value:"3.95 at 19 °C (referred to water at 4 °C)"},"Melting Point":{Value:"320 °C (decomposes)"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.685"},Solubility:{Value:"0.000023 G/100 CC WATER AT 20 °C"},Taste:{Value:"Tasteless"},Uses:{Value:"For silver plating; formerly used for extemporaneous prepn of dil hydrocyanic acid by treatment with hydrogen cyanide."}},ReducedFormula:"Ag1C1N1"},10480:{PUBCHEM:{CID:"10480","Compound Complexity":26.3,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;carbonic acid","IUPAC Name CAS-like Style":"Ammonia;carbonic acid","IUPAC Name Markup":"Azane;carbonic acid","IUPAC Name Preferred":"Azane;carbonic acid","IUPAC Name Systematic":"Azane;carbonic acid","IUPAC Name Traditional":"Ammonia;carbonic acid",InChI:"1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3",InChIKey:"PRKQVKDSMLBJBJ-UHFFFAOYSA-N","Exact Mass":96.053492126,"Molecular Formula":"CH8N2O3","Molecular Weight":96.09,"Monoisotopic Mass":96.053492126,Charge:0,"Easy Name":"Ammonium carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless crystalline powder"},"Melting Point":{Value:"58 °C (decomposes)"},Odor:{Value:"Strong odor of ammonia"},Solubility:{Value:"100g/100 g water at 15 °C"},Taste:{Value:"Sharp ammoniacal taste"},Uses:{Value:"Ammonium salts, baking powders, smelling-salts, fire-extinguishing compounds, pharmaceuticals, textiles (mordant), fermentation accelerator in wine manufacture, organic chemicals, ceramics, washing wool."}},ReducedFormula:"C1H8N2O3"},10482:{PUBCHEM:{CID:"10482","Compound Complexity":33,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Acetyl bromide","IUPAC Name CAS-like Style":"Acetyl bromide","IUPAC Name Markup":"Acetyl bromide","IUPAC Name Preferred":"Acetyl bromide","IUPAC Name Systematic":"Ethanoyl bromide","IUPAC Name Traditional":"Acetyl bromide",InChI:"1S/C2H3BrO/c1-2(3)4/h1H3",InChIKey:"FXXACINHVKSMDR-UHFFFAOYSA-N","Log P":.8,"Exact Mass":121.93673,"Molecular Formula":"C2H3BrO","Molecular Weight":122.95,"Monoisotopic Mass":121.93673,Charge:0,"Easy Name":"Acetyl bromide","Easy Category":"Acid anhydride"},HSDB:{"Boiling Point":{Value:"74 °C"},"Color And Form":{Value:"Fuming liquid"},"Critical Temperature And Pressure":{Value:"1.6625 g/cu cm at 16 °C"},"Heat Of Vaporization":{Value:"106 btu/Lb = 59 cal/g = 2.5X10X5 J/kg"},"Melting Point":{Value:"-95.5 °C"},Odor:{Value:"Sharp unpleasant odor"},"Refractive Index":{Value:"Index of refraction: 1.4486 at 20 °C/D"},Solubility:{Value:"Violently decomposed by water or alcohol"},Uses:{Value:"Organic synthesis, dye manufacture."},"Vapor Pressure":{Value:"122 mm Hg at 25 °C"}},ReducedFormula:"Br1C2H3O1"},10483:{PUBCHEM:{CID:"10483","Compound Complexity":33,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Acetyl iodide","IUPAC Name CAS-like Style":"Acetyl iodide","IUPAC Name Markup":"Acetyl iodide","IUPAC Name Preferred":"Acetyl iodide","IUPAC Name Systematic":"Ethanoyl iodide","IUPAC Name Traditional":"Acetyl iodide",InChI:"1S/C2H3IO/c1-2(3)4/h1H3",InChIKey:"LEKJTGQWLAUGQA-UHFFFAOYSA-N","Log P":.8,"Exact Mass":169.92286,"Molecular Formula":"C2H3IO","Molecular Weight":169.95,"Monoisotopic Mass":169.92286,Charge:0,"Easy Name":"Acetyl iodide","Easy Category":"Organoiodine compound"},HSDB:{},ReducedFormula:"C2H3I1O1"},10484:{PUBCHEM:{CID:"10484","Compound Complexity":33,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ethanethioic S-acid","IUPAC Name CAS-like Style":"Ethanethioic S-acid","IUPAC Name Markup":"Ethanethioic S-acid","IUPAC Name Preferred":"Ethanethioic S-acid","IUPAC Name Systematic":"Ethanethioic S-acid","IUPAC Name Traditional":"Thioacetic acid",InChI:"1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)",InChIKey:"DUYAAUVXQSMXQP-UHFFFAOYSA-N","Log P":.3,"Exact Mass":75.99828592,"Molecular Formula":"C2H4OS","Molecular Weight":76.12,"Monoisotopic Mass":75.99828592,Charge:0,"Easy Name":"Thioacetic acid","Easy Category":"Acid"},HSDB:{},ReducedFormula:"C2H4O1S1"},10540:{PUBCHEM:{CID:"10540","Compound Complexity":90.7,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;methyl sulfate","IUPAC Name CAS-like Style":"Sodium;methyl sulfate","IUPAC Name Markup":"Sodium;methyl sulfate","IUPAC Name Preferred":"Sodium;methyl sulfate","IUPAC Name Systematic":"Sodium;methyl sulfate","IUPAC Name Traditional":"Sodium;methyl sulfate",InChI:"1S/CH4O4S.Na/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",InChIKey:"DZXBHDRHRFLQCJ-UHFFFAOYSA-M","Exact Mass":133.96497403,"Molecular Formula":"CH3NaO4S","Molecular Weight":134.09,"Monoisotopic Mass":133.96497403,Charge:0,"Easy Name":"Sodium;methyl sulfate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C1H3Na1O4S1"},10563:{PUBCHEM:{CID:"10563","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);carbonate","IUPAC Name CAS-like Style":"Barium(2+);carbonate","IUPAC Name Markup":"Barium(2+);carbonate","IUPAC Name Preferred":"Barium(2+);carbonate","IUPAC Name Systematic":"Barium(2+);carbonate","IUPAC Name Traditional":"Barium(2+);carbonate",InChI:"1S/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"AYJRCSIUFZENHW-UHFFFAOYSA-L","Exact Mass":197.889991,"Molecular Formula":"CBaO3","Molecular Weight":197.34,"Monoisotopic Mass":197.889991,Charge:0,"Easy Name":"Barium carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, heavy powder"},Density:{Value:"4.308 g/cu cm"},"Melting Point":{Value:"1380 °C (decomposes)"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Indices of refraction: 1.529, 1.676, 1.677"},Solubility:{Value:"In water, 0.0014 g/100 g at 20 °C"},Taste:{Value:"Tasteless"},Uses:{Value:"Rat poison; in ceramics, paints, enamels, marble substitutes, rubber; as analytical reagent; manufacture of paper, barium salts, optical glasses; electrodes"},"Vapor Pressure":{Value:"Essentially zero"}},ReducedFormula:"Ba1C1O3"},10564:{PUBCHEM:{CID:"10564","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cadmium(2+);carbonate","IUPAC Name CAS-like Style":"Cadmium(2+);carbonate","IUPAC Name Markup":"Cadmium(2+);carbonate","IUPAC Name Preferred":"Cadmium(2+);carbonate","IUPAC Name Systematic":"Cadmium(2+);carbonate","IUPAC Name Traditional":"Cadmium(2+);carbonate",InChI:"1S/CH2O3.Cd/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"GKDXQAKPHKQZSC-UHFFFAOYSA-L","Exact Mass":173.888109,"Molecular Formula":"CCdO3","Molecular Weight":172.42,"Monoisotopic Mass":173.888109,Charge:0,"Easy Name":"Cadmium carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, hexagonal crystals"},Density:{Value:"5.026 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of cadmium carbonate stem from its toxicologic properties. Toxic primarily by ingestion and inhalation, exposure to this colorless, crystalline substance may occur from its use in lawn and turf fungicides,a catalyst in organic reactions, and as a source of cadmium in the generation of other compounds. Effects from exposure may include headace, shortness of breath, chest pains, kidney damage, liver damage, emphysema, intense pulmonary edema (possibly resulting in death). Processes and operations which may release cadmium fumes or dust should be enclosed and fitted with exhaust ventilation. In activities where over-exposure is possible, workers should wear a high efficiency particulate filter respirator or self-contained breathing apparatus. Protective clothing also should be worn, including eye, face and hand protection. All such clothing should be removed before leaving work. If contact should occur, immediately wash contaminated skin with large amounts of water. Do not eat, smoke, or drink in work areas. Cadmium carbonate presents only a moderate fire hazard (when in the form of dust) if exposed to heat, flame, or by chemical reaction with oxidizing agents, metals, hydrogen azide, zinc, selenium, or tellurium. Wear a self-contained breathing apparatus when fighting such fires. Cadmium carbonate should be stored in cool, well-ventilated areas, out of direct rays of the sun, and away from fire hazards. Before implementing land disposal of waste cadmium carbonate, consult environmental regulatory agencies for guidance."},"Melting Point":{Value:"500 °C (decomposes)"},Solubility:{Value:"Soluble in concentrated solutions of ammonium salts, dilute acids."},Uses:{Value:"For cadmium carbonate (USEPA/OPP Pesticide Code: 012901) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C1Cd1O3"},10565:{PUBCHEM:{CID:"10565","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltous;carbonate","IUPAC Name CAS-like Style":"Cobalt(2+);carbonate","IUPAC Name Markup":"Cobalt(2+);carbonate","IUPAC Name Preferred":"Cobalt(2+);carbonate","IUPAC Name Systematic":"Cobalt(2+);carbonate","IUPAC Name Traditional":"Cobaltous;carbonate",InChI:"1S/CH2O3.Co/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"ZOTKGJBKKKVBJZ-UHFFFAOYSA-L","Exact Mass":118.917938,"Molecular Formula":"CCoO3","Molecular Weight":118.942,"Monoisotopic Mass":118.917938,Charge:0,"Easy Name":"Cobalt (II) carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Red powder or rhombohedral crystals"},Density:{Value:"4.2 g/cu cm"},"Melting Point":{Value:"280 °C (decomposes)"},"Refractive Index":{Value:"Index of refraction: 1.855, 1.60"},Solubility:{Value:"In water, 0.00014 g/100 g water at 20 °C"},Uses:{Value:"In ceramics; manufacture of cobalt pigments; preparation of cobalt compounds."}},ReducedFormula:"C1Co1O3"},10569:{PUBCHEM:{CID:"10569","Compound Complexity":542,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid","IUPAC Name CAS-like Style":"(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid","IUPAC Name Markup":"(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid","IUPAC Name Preferred":"(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid","IUPAC Name Systematic":"(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid","IUPAC Name Traditional":"(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid",InChI:"1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",InChIKey:"RSWGJHLUYNHPMX-ONCXSQPRSA-N","Log P":4.8,"Exact Mass":302.22458021,"Molecular Formula":"C20H30O2","Molecular Weight":302.5,"Monoisotopic Mass":302.22458021,Charge:0,"Easy Name":"Abietic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C20H30O2"},10589:{PUBCHEM:{CID:"10589","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;oxalate","IUPAC Name CAS-like Style":"Iron(2+);oxalate","IUPAC Name Markup":"Iron(2+);oxalate","IUPAC Name Preferred":"Iron(2+);oxalate","IUPAC Name Systematic":"Ethanedioate;iron(2+)","IUPAC Name Traditional":"Ferrous;oxalate",InChI:"1S/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",InChIKey:"OWZIYWAUNZMLRT-UHFFFAOYSA-L","Exact Mass":143.914594,"Molecular Formula":"C2FeO4","Molecular Weight":143.86,"Monoisotopic Mass":143.914594,Charge:0,"Easy Name":"Iron (II) oxalate","Easy Category":"Organic salt"},HSDB:{Uses:{Value:"Photographic developer for silver bromide-gelatin plates; for decorative glassware; to impart a greenish-brown tint to optical glass (sunglasses, windshields, railroad car windows); pigment for plastics, paints, lacquers."}},ReducedFormula:"C2Fe1O4"},10607:{PUBCHEM:{CID:"10607","Compound Complexity":629,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one","IUPAC Name CAS-like Style":"(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one","IUPAC Name Markup":"(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","IUPAC Name Preferred":"(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","IUPAC Name Systematic":"(5R,5aR,8aR,9R)-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","IUPAC Name Traditional":"(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one",InChI:"1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1",InChIKey:"YJGVMLPVUAXIQN-XVVDYKMHSA-N","Log P":2,"Exact Mass":414.13146767,"Molecular Formula":"C22H22O8","Molecular Weight":414.4,"Monoisotopic Mass":414.13146767,Charge:0,"Easy Name":"Podophyllotoxin","Easy Category":"Lactone"},HSDB:{"Color And Form":{Value:"Solvated crystals"},"Melting Point":{Value:"183 °C"},Solubility:{Value:"Insoluble in ethyl ether, ligroin; slightly soluble in water; soluble in acetone, benzene; very soluble in ethanol, chloroform."},Uses:{Value:"Antiviral"},"Vapor Pressure":{Value:"8.3X10-15 mm Hg at 25 °C /Estimated/"}},ReducedFormula:"C22H22O8"},10621:{PUBCHEM:{CID:"10621","Compound Complexity":940,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":8,"Rotatable Bond":7,"IUPAC Name Allowed":"(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one","IUPAC Name CAS-like Style":"(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"(2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one",InChI:"1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",InChIKey:"QUQPHWDTPGMPEX-QJBIFVCTSA-N","Log P":-1.1,"Exact Mass":610.18977039,"Molecular Formula":"C28H34O15","Molecular Weight":610.6,"Monoisotopic Mass":610.18977039,Charge:0,"Easy Name":"Hesperidin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C28H34O15"},10623:{PUBCHEM:{CID:"10623","Compound Complexity":309,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-acetyl-2-hydroxy-6-methyl-pyran-4-one","IUPAC Name CAS-like Style":"3-acetyl-2-hydroxy-6-methyl-4-pyranone","IUPAC Name Markup":"3-acetyl-2-hydroxy-6-methylpyran-4-one","IUPAC Name Preferred":"3-acetyl-2-hydroxy-6-methylpyran-4-one","IUPAC Name Systematic":"3-ethanoyl-6-methyl-2-oxidanyl-pyran-4-one","IUPAC Name Traditional":"3-acetyl-2-hydroxy-6-methyl-pyran-4-one",InChI:"1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,11H,1-2H3",InChIKey:"JEQRBTDTEKWZBW-UHFFFAOYSA-N","Log P":.8,"Exact Mass":168.042258736,"Molecular Formula":"C8H8O4","Molecular Weight":168.15,"Monoisotopic Mass":168.042258736,Charge:0,"Easy Name":"Dehydroacetic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C8H8O4"},10635:{PUBCHEM:{CID:"10635","Compound Complexity":459,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","IUPAC Name CAS-like Style":"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","IUPAC Name Markup":"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","IUPAC Name Preferred":"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","IUPAC Name Systematic":"(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","IUPAC Name Traditional":"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",InChI:"1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",InChIKey:"NVKAWKQGWWIWPM-ABEVXSGRSA-N","Log P":3.7,"Exact Mass":290.22458021,"Molecular Formula":"C19H30O2","Molecular Weight":290.4,"Monoisotopic Mass":290.22458021,Charge:0,"Easy Name":"Dihydrotestosterone","Easy Category":"Steroid"},HSDB:{},ReducedFormula:"C19H30O2"},10638:{PUBCHEM:{CID:"10638","Compound Complexity":254,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"5-amino-2,3-dihydrophthalazine-1,4-dione","IUPAC Name CAS-like Style":"5-amino-2,3-dihydrophthalazine-1,4-dione","IUPAC Name Markup":"5-amino-2,3-dihydrophthalazine-1,4-dione","IUPAC Name Preferred":"5-amino-2,3-dihydrophthalazine-1,4-dione","IUPAC Name Systematic":"5-azanyl-2,3-dihydrophthalazine-1,4-dione","IUPAC Name Traditional":"5-amino-2,3-dihydrophthalazine-1,4-quinone",InChI:"1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)",InChIKey:"HWYHZTIRURJOHG-UHFFFAOYSA-N","Log P":.3,"Exact Mass":177.053826478,"Molecular Formula":"C8H7N3O2","Molecular Weight":177.16,"Monoisotopic Mass":177.053826478,Charge:0,"Easy Name":"Luminol","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C8H7N3O2"},10667:{PUBCHEM:{CID:"10667","Compound Complexity":253,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Naphthalene-1,2-dione","IUPAC Name CAS-like Style":"Naphthalene-1,2-dione","IUPAC Name Markup":"Naphthalene-1,2-dione","IUPAC Name Preferred":"Naphthalene-1,2-dione","IUPAC Name Systematic":"Naphthalene-1,2-dione","IUPAC Name Traditional":"1,2-naphthoquinone",InChI:"1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H",InChIKey:"KETQAJRQOHHATG-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":158.036779433,"Molecular Formula":"C10H6O2","Molecular Weight":158.15,"Monoisotopic Mass":158.036779433,Charge:0,"Easy Name":"1, 2-Naphthoquinone","Easy Category":"Quinone"},HSDB:{"Color And Form":{Value:"Golden yellow needles"},Density:{Value:"1.450 at 25 °C"},"Melting Point":{Value:"145-7 °C (decomp)"},Odor:{Value:"Odorless"},Solubility:{Value:"Sol in alcohol, benzene, ether, 5% sodium hydroxide, 5% sodium bicarbonate; sol in concn sulfuric acid with green color; practically insol in water"},Uses:{Value:"Chemical reagent and intermediate"},"Vapor Pressure":{Value:"9.9X10-5 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H6O2"},10680:{PUBCHEM:{CID:"10680","Compound Complexity":326,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-phenylchromen-4-one","IUPAC Name CAS-like Style":"2-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"2-phenylchromen-4-one","IUPAC Name Preferred":"2-phenylchromen-4-one","IUPAC Name Systematic":"2-phenylchromen-4-one","IUPAC Name Traditional":"Flavone",InChI:"1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H",InChIKey:"VHBFFQKBGNRLFZ-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":222.068079562,"Molecular Formula":"C15H10O2","Molecular Weight":222.24,"Monoisotopic Mass":222.068079562,Charge:0,"Easy Name":"2-phenylchromen-4-one","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O2"},10686:{PUBCHEM:{CID:"10686","Compound Complexity":76,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3-trimethylbenzene","IUPAC Name CAS-like Style":"1,2,3-trimethylbenzene","IUPAC Name Markup":"1,2,3-trimethylbenzene","IUPAC Name Preferred":"1,2,3-trimethylbenzene","IUPAC Name Systematic":"1,2,3-trimethylbenzene","IUPAC Name Traditional":"Hemimellitene",InChI:"1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3",InChIKey:"FYGHSUNMUKGBRK-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":120.09390039,"Molecular Formula":"C9H12","Molecular Weight":120.19,"Monoisotopic Mass":120.09390039,Charge:0,"Easy Name":"1, 2, 3-Trimethylbenzene","Easy Category":"Aromatic hydrocarbons"},HSDB:{"Boiling Point":{Value:"176.12 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 664.5 K; critical pressure: 3.454 MPa"},Density:{Value:"0.8944 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"49.05 kJ/mol at 20 °C"},"Melting Point":{Value:"-25.4 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},Odor:{Value:"Distinctive, aromatic odor"},"Refractive Index":{Value:"Index of refraction: 1.5139 at 20 °C/D"},Solubility:{Value:"Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetrachloride"},Uses:{Value:"Raw material for chemical synthesis"},"Vapor Density":{Value:"4.15 (Air = 1)"},"Vapor Pressure":{Value:"1.69 mm Hg at 25 °C"}},ReducedFormula:"C9H12"},10690:{PUBCHEM:{CID:"10690","Compound Complexity":170,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":6,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid","IUPAC Name CAS-like Style":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid","IUPAC Name Markup":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid","IUPAC Name Preferred":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid","IUPAC Name Systematic":"(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid","IUPAC Name Traditional":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",InChI:"1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",InChIKey:"RGHNJXZEOKUKBD-SQOUGZDYSA-N","Log P":-3.4,"Exact Mass":196.05830272,"Molecular Formula":"C6H12O7","Molecular Weight":196.16,"Monoisotopic Mass":196.05830272,Charge:0,"Easy Name":"D-Gluconic acid","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"NEEDLES FROM ETHANOL & ETHER"},Density:{Value:"1.24 @ 25 °C/4 °C"},"Melting Point":{Value:"131 °C"},Solubility:{Value:"FREELY SOL IN WATER; SLIGHTLY SOL IN ALC, INSOLUBLE IN ETHER AND MOST OTHER ORGANIC SOLVENTS"},Taste:{Value:"MILD ACID TASTE"},Uses:{Value:"For Gluconic acid (USEPA/OPP Pesticide Code: 000104) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C6H12O7"},10695:{PUBCHEM:{CID:"10695","Compound Complexity":94.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3,5-tetramethylbenzene","IUPAC Name CAS-like Style":"1,2,3,5-tetramethylbenzene","IUPAC Name Markup":"1,2,3,5-tetramethylbenzene","IUPAC Name Preferred":"1,2,3,5-tetramethylbenzene","IUPAC Name Systematic":"1,2,3,5-tetramethylbenzene","IUPAC Name Traditional":"Isodurene",InChI:"1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3",InChIKey:"BFIMMTCNYPIMRN-UHFFFAOYSA-N","Log P":4,"Exact Mass":134.10955045,"Molecular Formula":"C10H14","Molecular Weight":134.22,"Monoisotopic Mass":134.10955045,Charge:0,"Easy Name":"1, 2, 3, 5-tetramethylbenzene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C10H14"},10708:{PUBCHEM:{CID:"10708","Compound Complexity":297,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"Benzene-1,2,4-tricarboxylic acid","IUPAC Name CAS-like Style":"Benzene-1,2,4-tricarboxylic acid","IUPAC Name Markup":"Benzene-1,2,4-tricarboxylic acid","IUPAC Name Preferred":"Benzene-1,2,4-tricarboxylic acid","IUPAC Name Systematic":"Benzene-1,2,4-tricarboxylic acid","IUPAC Name Traditional":"Trimellitic acid",InChI:"1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",InChIKey:"ARCGXLSVLAOJQL-UHFFFAOYSA-N","Log P":.3,"Exact Mass":210.01643791,"Molecular Formula":"C9H6O6","Molecular Weight":210.14,"Monoisotopic Mass":210.01643791,Charge:0,"Easy Name":"Trimellitic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H6O6"},10714:{PUBCHEM:{CID:"10714","Compound Complexity":177,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,4,5-trimethylbenzoic acid","IUPAC Name CAS-like Style":"2,4,5-trimethylbenzoic acid","IUPAC Name Markup":"2,4,5-trimethylbenzoic acid","IUPAC Name Preferred":"2,4,5-trimethylbenzoic acid","IUPAC Name Systematic":"2,4,5-trimethylbenzoic acid","IUPAC Name Traditional":"Durylic acid",InChI:"1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)",InChIKey:"QENJZWZWAWWESF-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":164.08372963,"Molecular Formula":"C10H12O2","Molecular Weight":164.2,"Monoisotopic Mass":164.08372963,Charge:0,"Easy Name":"2, 4, 5-Trimethylbenzoic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H12O2"},10719:{PUBCHEM:{CID:"10719","Compound Complexity":185,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"7-ethyl-1,4-dimethyl-azulene","IUPAC Name CAS-like Style":"7-ethyl-1,4-dimethylazulene","IUPAC Name Markup":"7-ethyl-1,4-dimethylazulene","IUPAC Name Preferred":"7-ethyl-1,4-dimethylazulene","IUPAC Name Systematic":"7-ethyl-1,4-dimethyl-azulene","IUPAC Name Traditional":"Chamazulene",InChI:"1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",InChIKey:"GXGJIOMUZAGVEH-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":184.12520052,"Molecular Formula":"C14H16","Molecular Weight":184.28,"Monoisotopic Mass":184.12520052,Charge:0,"Easy Name":"Chamazulene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C14H16"},10742:{PUBCHEM:{CID:"10742","Compound Complexity":191,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"4-hydroxy-3,5-dimethoxy-benzoic acid","IUPAC Name CAS-like Style":"4-hydroxy-3,5-dimethoxybenzoic acid","IUPAC Name Markup":"4-hydroxy-3,5-dimethoxybenzoic acid","IUPAC Name Preferred":"4-hydroxy-3,5-dimethoxybenzoic acid","IUPAC Name Systematic":"3,5-dimethoxy-4-oxidanyl-benzoic acid","IUPAC Name Traditional":"Syringic acid",InChI:"1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",InChIKey:"JMSVCTWVEWCHDZ-UHFFFAOYSA-N","Log P":1,"Exact Mass":198.05282342,"Molecular Formula":"C9H10O5","Molecular Weight":198.17,"Monoisotopic Mass":198.05282342,Charge:0,"Easy Name":"Syringic acid","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C9H10O5"},10771:{PUBCHEM:{CID:"10771","Compound Complexity":235,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"4-phenylazobenzene-1,3-diamine;hydrochloride","IUPAC Name CAS-like Style":"4-phenyldiazenylbenzene-1,3-diamine;hydrochloride","IUPAC Name Markup":"4-phenyldiazenylbenzene-1,3-diamine;hydrochloride","IUPAC Name Preferred":"4-phenyldiazenylbenzene-1,3-diamine;hydrochloride","IUPAC Name Systematic":"4-phenyldiazenylbenzene-1,3-diamine;hydrochloride","IUPAC Name Traditional":"(3-amino-4-phenylazo-phenyl)amine;hydrochloride",InChI:"1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H",InChIKey:"MCTQNEBFZMBRSQ-UHFFFAOYSA-N","Exact Mass":248.0828741,"Molecular Formula":"C12H13ClN4","Molecular Weight":248.71,"Monoisotopic Mass":248.0828741,Charge:0,"Easy Name":"Chrysoidine","Easy Category":"Azo compound"},HSDB:{"Boiling Point":{Value:"2262 °C"},"Color And Form":{Value:"REDDISH-BROWN CRYSTALLINE POWDER"},"Melting Point":{Value:"118-118.5 °C"},Solubility:{Value:"@ 15 °C: WATER 5.5%, CELLOSOLVE 6.0%, ABSOLUTE ETHANOL 4.75%, ANHYDROUS ETHYLENE GLYCOL 9.5%, XYLENE 0.005%; SLIGHTLY SOL IN ACETONE; PRACTICALLY INSOL IN BENZENE"},Uses:{Value:"DYEING SILK AND COTTON; BIOLOGICAL STAIN"}},ReducedFormula:"C12Cl1H13N4"},10785:{PUBCHEM:{CID:"10785","Compound Complexity":98.7,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2-hydroxycyclohexanone","IUPAC Name CAS-like Style":"2-hydroxy-1-cyclohexanone","IUPAC Name Markup":"2-hydroxycyclohexan-1-one","IUPAC Name Preferred":"2-hydroxycyclohexan-1-one","IUPAC Name Systematic":"2-oxidanylcyclohexan-1-one","IUPAC Name Traditional":"2-hydroxycyclohexanone",InChI:"1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2",InChIKey:"ODZTXUXIYGJLMC-UHFFFAOYSA-N","Log P":.2,"Exact Mass":114.068079562,"Molecular Formula":"C6H10O2","Molecular Weight":114.14,"Monoisotopic Mass":114.068079562,Charge:0,"Easy Name":"2-Hydroxycyclohexan-1-one","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C6H10O2"},10787:{PUBCHEM:{CID:"10787","Compound Complexity":94.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Benzene-1,2,4-triol","IUPAC Name CAS-like Style":"Benzene-1,2,4-triol","IUPAC Name Markup":"Benzene-1,2,4-triol","IUPAC Name Preferred":"Benzene-1,2,4-triol","IUPAC Name Systematic":"Benzene-1,2,4-triol","IUPAC Name Traditional":"Benzene-1,2,4-triol",InChI:"1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H",InChIKey:"GGNQRNBDZQJCCN-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":126.031694052,"Molecular Formula":"C6H6O3","Molecular Weight":126.11,"Monoisotopic Mass":126.031694052,Charge:0,"Easy Name":"Hydroxyquinol","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C6H6O3"},10792:{PUBCHEM:{CID:"10792","Compound Complexity":28.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,2-dibromobutane","IUPAC Name CAS-like Style":"1,2-dibromobutane","IUPAC Name Markup":"1,2-dibromobutane","IUPAC Name Preferred":"1,2-dibromobutane","IUPAC Name Systematic":"1,2-bis(bromanyl)butane","IUPAC Name Traditional":"1,2-dibromobutane",InChI:"1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3",InChIKey:"CZWSZZHGSNZRMW-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":215.89723,"Molecular Formula":"C4H8Br2","Molecular Weight":215.91,"Monoisotopic Mass":213.89928,Charge:0,"Easy Name":"1, 2-Dibromobutane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C4H8"},10796:{PUBCHEM:{CID:"10796","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicesium;carbonate","IUPAC Name CAS-like Style":"Dicesium;carbonate","IUPAC Name Markup":"Dicesium;carbonate","IUPAC Name Preferred":"Dicesium;carbonate","IUPAC Name Systematic":"Dicesium;carbonate","IUPAC Name Traditional":"Dicesium;carbonate",InChI:"1S/CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",InChIKey:"FJDQFPXHSGXQBY-UHFFFAOYSA-L","Exact Mass":325.7956478,"Molecular Formula":"CCs2O3","Molecular Weight":325.82,"Monoisotopic Mass":325.7956478,Charge:0,"Easy Name":"Caesium carbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1Cs2O3"},10820:{PUBCHEM:{CID:"10820","Compound Complexity":155,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"4-isopropylbenzoic acid","IUPAC Name CAS-like Style":"4-propan-2-ylbenzoic acid","IUPAC Name Markup":"4-propan-2-ylbenzoic acid","IUPAC Name Preferred":"4-propan-2-ylbenzoic acid","IUPAC Name Systematic":"4-propan-2-ylbenzoic acid","IUPAC Name Traditional":"Cumic acid",InChI:"1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)",InChIKey:"CKMXAIVXVKGGFM-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":164.08372963,"Molecular Formula":"C10H12O2","Molecular Weight":164.2,"Monoisotopic Mass":164.08372963,Charge:0,"Easy Name":"Cumic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H12O2"},10821:{PUBCHEM:{CID:"10821","Compound Complexity":98.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Ethynylbenzene","IUPAC Name CAS-like Style":"Ethynylbenzene","IUPAC Name Markup":"Ethynylbenzene","IUPAC Name Preferred":"Ethynylbenzene","IUPAC Name Systematic":"Ethynylbenzene","IUPAC Name Traditional":"Ethynylbenzene",InChI:"1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",InChIKey:"UEXCJVNBTNXOEH-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":102.046950193,"Molecular Formula":"C8H6","Molecular Weight":102.13,"Monoisotopic Mass":102.046950193,Charge:0,"Easy Name":"Phenylacetylene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C8H6"},10824:{PUBCHEM:{CID:"10824","Compound Complexity":85,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-methoxyaniline","IUPAC Name CAS-like Style":"3-methoxyaniline","IUPAC Name Markup":"3-methoxyaniline","IUPAC Name Preferred":"3-methoxyaniline","IUPAC Name Systematic":"3-methoxyaniline","IUPAC Name Traditional":"M-anisidine",InChI:"1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3",InChIKey:"NCBZRJODKRCREW-UHFFFAOYSA-N","Log P":.9,"Exact Mass":123.068413914,"Molecular Formula":"C7H9NO","Molecular Weight":123.15,"Monoisotopic Mass":123.068413914,Charge:0,"Easy Name":"M-Anisidine","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"251 °C"},"Color And Form":{Value:"Pale yellow, oily liquid"},"Melting Point":{Value:"-1 °C"},"NFPA Hazard Classification":{Value:"2-1-0"},"Refractive Index":{Value:"Index of refraction = 1.5797 at 20 °C/D"},Solubility:{Value:"Slightly soluble in carbon tetrachloride; soluble in ethanol, ethylene, acetone, benzene"},Uses:{Value:"Anisidines are used in the manufacture of azo dyes, pharmaceuticals, textile-processing chemicals. /Anisidines/"},"Vapor Pressure":{Value:"7.5X10-2 mm Hg at 25 °C"}},ReducedFormula:"C7H9N1O1"},10860:{PUBCHEM:{CID:"10860","Compound Complexity":281,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"1-anilino-3-phenylimino-urea","IUPAC Name CAS-like Style":"1-anilino-3-phenyliminourea","IUPAC Name Markup":"1-anilino-3-phenyliminourea","IUPAC Name Preferred":"1-anilino-3-phenyliminourea","IUPAC Name Systematic":"1-phenylazanyl-3-phenylimino-urea","IUPAC Name Traditional":"1-anilino-3-phenylimino-urea",InChI:"1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)",InChIKey:"ZFWAHZCOKGWUIT-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":240.10111102,"Molecular Formula":"C13H12N4O","Molecular Weight":240.26,"Monoisotopic Mass":240.10111102,Charge:0,"Easy Name":"Diphenylcarbazone","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C13H12N4O1"},10864:{PUBCHEM:{CID:"10864","Compound Complexity":80,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Pentylbenzene","IUPAC Name CAS-like Style":"Pentylbenzene","IUPAC Name Markup":"Pentylbenzene","IUPAC Name Preferred":"Pentylbenzene","IUPAC Name Systematic":"Pentylbenzene","IUPAC Name Traditional":"Amylbenzene",InChI:"1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3",InChIKey:"PWATWSYOIIXYMA-UHFFFAOYSA-N","Log P":5,"Exact Mass":148.12520052,"Molecular Formula":"C11H16","Molecular Weight":148.24,"Monoisotopic Mass":148.12520052,Charge:0,"Easy Name":"N-Amylbenzene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C11H16"},10868:{PUBCHEM:{CID:"10868","Compound Complexity":201,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"N,N'-dicyclohexylmethanediimine","IUPAC Name CAS-like Style":"N,N'-dicyclohexylmethanediimine","IUPAC Name Markup":"N,N'-dicyclohexylmethanediimine","IUPAC Name Preferred":"N,N'-dicyclohexylmethanediimine","IUPAC Name Systematic":"N,N'-dicyclohexylmethanediimine","IUPAC Name Traditional":"Cyclohexyl(cyclohexyliminomethylene)amine",InChI:"1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2",InChIKey:"QOSSAOTZNIDXMA-UHFFFAOYSA-N","Log P":4.7,"Exact Mass":206.17829872,"Molecular Formula":"C13H22N2","Molecular Weight":206.33,"Monoisotopic Mass":206.17829872,Charge:0,"Easy Name":"N, N'-Dicyclohexylcarbodiimide","Easy Category":"Carbodiimide"},HSDB:{"Color And Form":{Value:"Crystalline mass"},"Melting Point":{Value:"34.5 °C"},Odor:{Value:"Heavy sweet odor"},Solubility:{Value:"Moisture sensitive, reacts with water"},"Vapor Pressure":{Value:"3.39X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"C13H22N2"},10882:{PUBCHEM:{CID:"10882","Compound Complexity":79,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"Ethyl pentanoate","IUPAC Name CAS-like Style":"Pentanoic acid ethyl ester","IUPAC Name Markup":"Ethyl pentanoate","IUPAC Name Preferred":"Ethyl pentanoate","IUPAC Name Systematic":"Ethyl pentanoate","IUPAC Name Traditional":"Valeric acid ethyl ester",InChI:"1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3",InChIKey:"ICMAFTSLXCXHRK-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":130.09937969,"Molecular Formula":"C7H14O2","Molecular Weight":130.18,"Monoisotopic Mass":130.09937969,Charge:0,"Easy Name":"Ethyl pentanoate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C7H14O2"},10898:{PUBCHEM:{CID:"10898","Compound Complexity":10,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-bromoethanol","IUPAC Name CAS-like Style":"2-bromoethanol","IUPAC Name Markup":"2-bromoethanol","IUPAC Name Preferred":"2-bromoethanol","IUPAC Name Systematic":"2-bromanylethanol","IUPAC Name Traditional":"2-bromoethanol",InChI:"1S/C2H5BrO/c3-1-2-4/h4H,1-2H2",InChIKey:"LDLCZOVUSADOIV-UHFFFAOYSA-N","Log P":.2,"Exact Mass":123.95238,"Molecular Formula":"C2H5BrO","Molecular Weight":124.96,"Monoisotopic Mass":123.95238,Charge:0,"Easy Name":"2-Bromoethanol","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C2H5O1"},10899:{PUBCHEM:{CID:"10899","Compound Complexity":7.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1-chloropropane","IUPAC Name CAS-like Style":"1-chloropropane","IUPAC Name Markup":"1-chloropropane","IUPAC Name Preferred":"1-chloropropane","IUPAC Name Systematic":"1-chloranylpropane","IUPAC Name Traditional":"1-chloropropane",InChI:"1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3",InChIKey:"SNMVRZFUUCLYTO-UHFFFAOYSA-N","Log P":2,"Exact Mass":78.0236279,"Molecular Formula":"C3H7Cl","Molecular Weight":78.54,"Monoisotopic Mass":78.0236279,Charge:0,"Easy Name":"N-Propyl chloride","Easy Category":"Organochlorides"},HSDB:{"Boiling Point":{Value:"46.60 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature = 230 °C; Critical pressure = 45.18 atm"},Density:{Value:"0.8899 g/cu cm"},"Heat Of Vaporization":{Value:"6.812 kcal/mol at 25 °C"},"Melting Point":{Value:"-122.8 °C"},"NFPA Hazard Classification":{Value:"2-3-0"},Odor:{Value:"Chloroform-like odor"},"Refractive Index":{Value:"Index of refraction: 1.3879 at 20 °C/D"},Solubility:{Value:"In water, 2720 mg/L at 25 °C"},Uses:{Value:"Used as an intermediate in the production of the sweetner sodium 2-(4-methoxybenzoyl) benzoate (known as 23/46) for food and beverages, but had limited applicability."},"Vapor Density":{Value:"2.7 (Air = 1)"},"Vapor Pressure":{Value:"344.4 mm Hg at 25 °C"}},ReducedFormula:"C3Cl1H7"},10900:{PUBCHEM:{CID:"10900","Compound Complexity":19.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2-dichloroethylene","IUPAC Name CAS-like Style":"1,2-dichloroethene","IUPAC Name Markup":"1,2-dichloroethene","IUPAC Name Preferred":"1,2-dichloroethene","IUPAC Name Systematic":"1,2-bis(chloranyl)ethene","IUPAC Name Traditional":"1,2-dichloroethylene",InChI:"1S/C2H2Cl2/c3-1-2-4/h1-2H",InChIKey:"KFUSEUYYWQURPO-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":95.9533555,"Molecular Formula":"C2H2Cl2","Molecular Weight":96.94,"Monoisotopic Mass":95.9533555,Charge:0,"Easy Name":"1, 2-dichloroethylene","Easy Category":"Organochlorides"},HSDB:{"Boiling Point":{Value:"55 °C"},"Color And Form":{Value:"Colorless liquid (usually a mixture of the cis- and trans-isomers) ..."},Density:{Value:"Approximately 1.28"},"Heat Of Vaporization":{Value:"130 Btu/lb = 72 cal/g = 3.0X10+5 J/kg"},"Melting Point":{Value:"-57 °C"},"NFPA Hazard Classification":{Value:"1-3-2- ̵W̵"},Odor:{Value:"Ethereal, slightly acrid"},Solubility:{Value:"In water, 3.50X10+3 mg/L at 25 °C"},Uses:{Value:"1,2-Dichloroethylenes can be used as solvent for waxes, resins, lacquers, and thermoplastics; for the extraction of oil and fats from fish and meat; for vapor degreasing, as surface cleaning agent; for the extraction of rubber, as foam blowing additive; as refrigerant; in the manufacture of pharmaceuticals, and as source of HCl in silicone etching. /1,2-Dichloroethylenes/"},"Vapor Density":{Value:"3.4 (Air = 1)"},"Vapor Pressure":{Value:"2.01X10+2 mm Hg at 25 °C"}},ReducedFormula:"C2Cl2H2"},10903:{PUBCHEM:{CID:"10903","Compound Complexity":7.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Methoxyethane","IUPAC Name CAS-like Style":"Methoxyethane","IUPAC Name Markup":"Methoxyethane","IUPAC Name Preferred":"Methoxyethane","IUPAC Name Systematic":"Methoxyethane","IUPAC Name Traditional":"Methoxyethane",InChI:"1S/C3H8O/c1-3-4-2/h3H2,1-2H3",InChIKey:"XOBKSJJDNFUZPF-UHFFFAOYSA-N","Log P":.4,"Exact Mass":60.057514878,"Molecular Formula":"C3H8O","Molecular Weight":60.1,"Monoisotopic Mass":60.057514878,Charge:0,"Easy Name":"Methoxyethane","Easy Category":"Ether"},HSDB:{"Boiling Point":{Value:"7.4 °C"},"Color And Form":{Value:"COLORLESS LIQUID"},"Critical Temperature And Pressure":{Value:"CRITICAL TEMP: 164.7 °C; CRITICAL PRESSURE: 43.4 ATM"},Density:{Value:"0.7251 @ 0 °C/0 °C"},"Melting Point":{Value:"-113 °C"},"NFPA Hazard Classification":{Value:"1-4-1"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.3420 @ 4 °C/D"},Solubility:{Value:"SOL IN ACETONE"},"Vapor Density":{Value:"2.1 (Air = 1)"},"Vapor Pressure":{Value:"1493 mm Hg @ 25 °C"}},ReducedFormula:"C3H8O1"},10907:{PUBCHEM:{CID:"10907","Compound Complexity":54.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,2,4-trimethylpentane","IUPAC Name CAS-like Style":"2,2,4-trimethylpentane","IUPAC Name Markup":"2,2,4-trimethylpentane","IUPAC Name Preferred":"2,2,4-trimethylpentane","IUPAC Name Systematic":"2,2,4-trimethylpentane","IUPAC Name Traditional":"2,2,4-trimethylpentane",InChI:"1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChIKey:"NHTMVDHEPJAVLT-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":114.14085058,"Molecular Formula":"C8H18","Molecular Weight":114.23,"Monoisotopic Mass":114.14085058,Charge:0,"Easy Name":"2, 2, 4-Trimethylpentane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"99.238 °C"},"Color And Form":{Value:"MOBILE LIQUID"},Density:{Value:"0.69194 @ 20 °C/4 °C"},"Melting Point":{Value:"-107.45 °C"},"NFPA Hazard Classification":{Value:"0-3-0"},Odor:{Value:"ODOR OF GASOLINE"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.39157 @ 20 °C/D"},Solubility:{Value:"PRACTICALLY INSOL IN WATER; SOMEWHAT SOL IN ABS ALC; SOL IN BENZENE, TOLUENE, XYLENE, CHLOROFORM, ETHER, CARBON DISULFIDE, CARBON TETRACHLORIDE, DMF & OILS, EXCEPT CASTOR OIL."},Uses:{Value:"IN DETERMINING OCTANE NUMBERS OF FUELS; IN SPECTROPHOTOMETRIC ANALYSIS; AS SOLVENT & THINNER."},"Vapor Density":{Value:"3.93 (AIR= 1)"},"Vapor Pressure":{Value:"40.6 MM HG @ 21 °C"},Viscosity:{Value:"LESS THAN 32 SAYBOLT UNIVERSAL SECONDS"}},ReducedFormula:"C8H18"},10908:{PUBCHEM:{CID:"10908","Compound Complexity":89.2,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Tert-butyl acetate","IUPAC Name CAS-like Style":"Acetic acid tert-butyl ester","IUPAC Name Markup":"tert-butyl acetate","IUPAC Name Preferred":"Tert-butyl acetate","IUPAC Name Systematic":"Tert-butyl ethanoate","IUPAC Name Traditional":"Acetic acid tert-butyl ester",InChI:"1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3",InChIKey:"WMOVHXAZOJBABW-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":116.08372963,"Molecular Formula":"C6H12O2","Molecular Weight":116.16,"Monoisotopic Mass":116.08372963,Charge:0,"Easy Name":"Tert-Butyl acetate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"95.1 °C"},"Color And Form":{Value:"Liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 541 K; critical pressure: 3.0 MPa"},Density:{Value:"0.8665 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"33.07 kJ/mol at bp; 39.03 kJ/mol at 25 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Fruity odor"},"Refractive Index":{Value:"Index of refraction: 1.3855 at 20 °C"},Solubility:{Value:"Soluble in ethanol, ethyl ether, chloroform, acetic acid"},Uses:{Value:"Solvent, gasoline additive"},"Vapor Density":{Value:"4.0 at BP (Air = 1)"},"Vapor Pressure":{Value:"47 mm Hg at 25 °C /ext/"}},ReducedFormula:"C6H12O2"},10916:{PUBCHEM:{CID:"10916","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxouranium","IUPAC Name CAS-like Style":"Dioxouranium","IUPAC Name Markup":"Dioxouranium","IUPAC Name Preferred":"Dioxouranium","IUPAC Name Systematic":"Bis(oxidanylidene)uranium","IUPAC Name Traditional":"Diketouranium",InChI:"1S/2O.U",InChIKey:"FCTBKIHDJGHPPO-UHFFFAOYSA-N","Exact Mass":270.04062,"Molecular Formula":"O2U","Molecular Weight":270.028,"Monoisotopic Mass":270.04062,Charge:0,"Easy Name":"Uranium dioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O2U1"},10917:{PUBCHEM:{CID:"10917","Compound Complexity":134,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"(3R)-3-hydroxy-4-(trimethylammonio)butanoate","IUPAC Name CAS-like Style":"(3R)-3-hydroxy-4-(trimethylammonio)butanoate","IUPAC Name Markup":"(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate","IUPAC Name Preferred":"(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate","IUPAC Name Systematic":"(3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate","IUPAC Name Traditional":"(3R)-3-hydroxy-4-(trimethylammonio)butyrate",InChI:"1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1",InChIKey:"PHIQHXFUZVPYII-ZCFIWIBFSA-N","Log P":-.2,"Exact Mass":161.10519335,"Molecular Formula":"C7H15NO3","Molecular Weight":161.2,"Monoisotopic Mass":161.10519335,Charge:0,"Easy Name":"L-carnitine","Easy Category":"Vitamin"},HSDB:{"Color And Form":{Value:"White, crystalline, hygroscopic powder"},"Melting Point":{Value:"197 °C (dec)"},Solubility:{Value:"Readily soluble in water and hot alcohol. Practically insoluble in acetone, ether and benzene"},Uses:{Value:"Used to treat carnitine deficiency"}},ReducedFormula:"C7H15N1O3"},10923:{PUBCHEM:{CID:"10923","Compound Complexity":50.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloro(2-chlorovinyl)arsane","IUPAC Name CAS-like Style":"Dichloro(2-chloroethenyl)arsine","IUPAC Name Markup":"Dichloro(2-chloroethenyl)arsane","IUPAC Name Preferred":"Dichloro(2-chloroethenyl)arsane","IUPAC Name Systematic":"Bis(chloranyl)-(2-chloranylethenyl)arsane","IUPAC Name Traditional":"Dichloro(2-chlorovinyl)arsine",InChI:"1S/C2H2AsCl3/c4-2-1-3(5)6/h1-2H",InChIKey:"GIKLTQKNOXNBNY-UHFFFAOYSA-N","Exact Mass":205.843803,"Molecular Formula":"C2H2AsCl3","Molecular Weight":207.31,"Monoisotopic Mass":205.843803,Charge:0,"Easy Name":"Dichloro (2-chloroethenyl)arsane","Easy Category":"Organochlorides"},HSDB:{},ReducedFormula:"As1C2Cl3H2"},10926:{PUBCHEM:{CID:"10926","Compound Complexity":26.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,1-dichlorobutane","IUPAC Name CAS-like Style":"1,1-dichlorobutane","IUPAC Name Markup":"1,1-dichlorobutane","IUPAC Name Preferred":"1,1-dichlorobutane","IUPAC Name Systematic":"1,1-bis(chloranyl)butane","IUPAC Name Traditional":"1,1-dichlorobutane",InChI:"1S/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3",InChIKey:"SEQRDAAUNCRFIT-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":126.0003056,"Molecular Formula":"C4H8Cl2","Molecular Weight":127.01,"Monoisotopic Mass":126.0003056,Charge:0,"Easy Name":"1, 1-Dichlorobutane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C4Cl2H8"},10928:{PUBCHEM:{CID:"10928","Compound Complexity":52.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Ethyl carbonochloridate","IUPAC Name CAS-like Style":"Carbonochloridic acid ethyl ester","IUPAC Name Markup":"Ethyl carbonochloridate","IUPAC Name Preferred":"Ethyl carbonochloridate","IUPAC Name Systematic":"Ethyl carbonochloridate","IUPAC Name Traditional":"Chlorocarbonic acid ethyl ester",InChI:"1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3",InChIKey:"RIFGWPKJUGCATF-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":107.9978071,"Molecular Formula":"C3H5ClO2","Molecular Weight":108.52,"Monoisotopic Mass":107.9978071,Charge:0,"Easy Name":"Ethyl chloroformate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"95 °C @ 760 MM HG"},"Color And Form":{Value:"WATER-WHITE LIQUID"},"Critical Temperature And Pressure":{Value:"Critical temperature = 508.15 deg K; critical pressure = 4.50X10+6 Pa"},Density:{Value:"1.1403 @ 20 °C/4 °C"},"Heat Of Vaporization":{Value:"5.8843X10+7 J/kmol @ melting point"},"Melting Point":{Value:"-80.6 °C"},"NFPA Hazard Classification":{Value:"4-3-1"},Odor:{Value:"Sharp, like hydrochloric acid"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.3947 @ 20 °C/D"},Solubility:{Value:"PRACTICALLY INSOL & GRADUALLY DECOMP IN WATER"},Uses:{Value:"CHEM INT FOR ORE FLOTATION AGENTS; DIETHYL CARBONATE; ISOCYANATES; POLYMERS"},"Vapor Density":{Value:"3.7 (AIR= 1)"},"Vapor Pressure":{Value:"22.4 mm Hg @ 25 °C"}},ReducedFormula:"C3Cl1H5O2"},10932:{PUBCHEM:{CID:"10932","Compound Complexity":72.1,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"3-aminobutanoic acid","IUPAC Name CAS-like Style":"3-aminobutanoic acid","IUPAC Name Markup":"3-aminobutanoic acid","IUPAC Name Preferred":"3-aminobutanoic acid","IUPAC Name Systematic":"3-azanylbutanoic acid","IUPAC Name Traditional":"3-aminobutyric acid",InChI:"1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)",InChIKey:"OQEBBZSWEGYTPG-UHFFFAOYSA-N","Log P":-3.1,"Exact Mass":103.063328534,"Molecular Formula":"C4H9NO2","Molecular Weight":103.12,"Monoisotopic Mass":103.063328534,Charge:0,"Easy Name":"3-Aminobutanoic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C4H9N1O2"},10943:{PUBCHEM:{CID:"10943","Compound Complexity":64.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3-dichlorobenzene","IUPAC Name CAS-like Style":"1,3-dichlorobenzene","IUPAC Name Markup":"1,3-dichlorobenzene","IUPAC Name Preferred":"1,3-dichlorobenzene","IUPAC Name Systematic":"1,3-bis(chloranyl)benzene","IUPAC Name Traditional":"1,3-dichlorobenzene",InChI:"1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H",InChIKey:"ZPQOPVIELGIULI-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":145.9690055,"Molecular Formula":"C6H4Cl2","Molecular Weight":147,"Monoisotopic Mass":145.9690055,Charge:0,"Easy Name":"1, 3-Dichlorobenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"173 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 415.3 °C; Critical pressure: 4864 kPa"},Density:{Value:"1.2884 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"296.8 J/g"},"Melting Point":{Value:"-24.8 °C"},"Refractive Index":{Value:"Index of refraction: 1.5515 at 20 °C/D"},Solubility:{Value:"Sol in ethanol, ether; very soluble in acetone"},Uses:{Value:'The active ingredient is no longer contained in any registered pesticide products ... "cancelled."'},"Vapor Pressure":{Value:"2.15 mm Hg at 25 °C"},Viscosity:{Value:"1.044 mPa.s at 25 °C"}},ReducedFormula:"C6Cl2H4"},10957:{PUBCHEM:{CID:"10957","Compound Complexity":50,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Isobutyl formate","IUPAC Name CAS-like Style":"Formic acid 2-methylpropyl ester","IUPAC Name Markup":"2-methylpropyl formate","IUPAC Name Preferred":"2-methylpropyl formate","IUPAC Name Systematic":"2-methylpropyl methanoate","IUPAC Name Traditional":"Formic acid isobutyl ester",InChI:"1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3",InChIKey:"AVMSWPWPYJVYKY-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"Isobutyl formate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C5H10O2"},10961:{PUBCHEM:{CID:"10961","Compound Complexity":31.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dicyanide","IUPAC Name CAS-like Style":"Barium(2+);dicyanide","IUPAC Name Markup":"Barium(2+);dicyanide","IUPAC Name Preferred":"Barium(2+);dicyanide","IUPAC Name Systematic":"Barium(2+);dicyanide","IUPAC Name Traditional":"Barium(2+);dicyanide",InChI:"1S/2CN.Ba/c2*1-2;/q2*-1;+2",InChIKey:"UNLSXXHOHZUADN-UHFFFAOYSA-N","Exact Mass":189.911395,"Molecular Formula":"C2BaN2","Molecular Weight":189.36,"Monoisotopic Mass":189.911395,Charge:0,"Easy Name":"Barium cyanide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystalline powder"},"NFPA Hazard Classification":{Value:"3-0-0"},Solubility:{Value:"In 70% alcohol, 180 g/L at 14 °C"},Uses:{Value:"Metallurgy, electroplating"}},ReducedFormula:"Ba1C2N2"},10962:{PUBCHEM:{CID:"10962","Compound Complexity":13.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1-iodobutane","IUPAC Name CAS-like Style":"1-iodobutane","IUPAC Name Markup":"1-iodobutane","IUPAC Name Preferred":"1-iodobutane","IUPAC Name Systematic":"1-iodanylbutane","IUPAC Name Traditional":"1-iodobutane",InChI:"1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3",InChIKey:"KMGBZBJJOKUPIA-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":183.9749,"Molecular Formula":"C4H9I","Molecular Weight":184.02,"Monoisotopic Mass":183.9749,Charge:0,"Easy Name":"Butyl iodide","Easy Category":"Organoiodine compound"},HSDB:{},ReducedFormula:"C4H9I1"},10972:{PUBCHEM:{CID:"10972","Compound Complexity":110,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2-acetamidoacetic acid","IUPAC Name CAS-like Style":"2-acetamidoacetic acid","IUPAC Name Markup":"2-acetamidoacetic acid","IUPAC Name Preferred":"2-acetamidoacetic acid","IUPAC Name Systematic":"2-acetamidoethanoic acid","IUPAC Name Traditional":"2-acetamidoacetic acid",InChI:"1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",InChIKey:"OKJIRPAQVSHGFK-UHFFFAOYSA-N","Log P":-1.2,"Exact Mass":117.042593089,"Molecular Formula":"C4H7NO3","Molecular Weight":117.1,"Monoisotopic Mass":117.042593089,Charge:0,"Easy Name":"Aceturic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C4H7N1O3"},10976:{PUBCHEM:{CID:"10976","Compound Complexity":43.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"Heptan-2-ol","IUPAC Name CAS-like Style":"2-heptanol","IUPAC Name Markup":"Heptan-2-ol","IUPAC Name Preferred":"Heptan-2-ol","IUPAC Name Systematic":"Heptan-2-ol","IUPAC Name Traditional":"Heptan-2-ol",InChI:"1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3",InChIKey:"CETWDUZRCINIHU-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":116.12011514,"Molecular Formula":"C7H16O","Molecular Weight":116.2,"Monoisotopic Mass":116.12011514,Charge:0,"Easy Name":"2-Heptanol","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C7H16O1"},10979:{PUBCHEM:{CID:"10979","Compound Complexity":37.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Propyl nitrite","IUPAC Name CAS-like Style":"Nitrous acid propyl ester","IUPAC Name Markup":"Propyl nitrite","IUPAC Name Preferred":"Propyl nitrite","IUPAC Name Systematic":"Propyl nitrite","IUPAC Name Traditional":"Nitrous acid propyl ester",InChI:"1S/C3H7NO2/c1-2-3-6-4-5/h2-3H2,1H3",InChIKey:"KAOQVXHBVNKNHA-UHFFFAOYSA-N","Log P":.9,"Exact Mass":89.047678469,"Molecular Formula":"C3H7NO2","Molecular Weight":89.09,"Monoisotopic Mass":89.047678469,Charge:0,"Easy Name":"Propyl nitrite","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C3H7N1O2"},10980:{PUBCHEM:{CID:"10980","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);diacetate","IUPAC Name CAS-like Style":"Barium(2+);diacetate","IUPAC Name Markup":"Barium(2+);diacetate","IUPAC Name Preferred":"Barium(2+);diacetate","IUPAC Name Systematic":"Barium(2+);diethanoate","IUPAC Name Traditional":"Barium(2+);diacetate",InChI:"1S/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"ITHZDDVSAWDQPZ-UHFFFAOYSA-L","Exact Mass":255.931856,"Molecular Formula":"C4H6BaO4","Molecular Weight":255.41,"Monoisotopic Mass":255.931856,Charge:0,"Easy Name":"Barium acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Ba1C4H6O4"},10987:{PUBCHEM:{CID:"10987","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;diacetate","IUPAC Name CAS-like Style":"Strontium;diacetate","IUPAC Name Markup":"Strontium;diacetate","IUPAC Name Preferred":"Strontium;diacetate","IUPAC Name Systematic":"Strontium;diethanoate","IUPAC Name Traditional":"Strontium;diacetate",InChI:"1S/2C2H4O2.Sr/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"RXSHXLOMRZJCLB-UHFFFAOYSA-L","Exact Mass":205.93222093,"Molecular Formula":"C4H6O4Sr","Molecular Weight":205.7,"Monoisotopic Mass":205.93222093,Charge:0,"Easy Name":"Strontium diacetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C4H6O4Sr1"},10992:{PUBCHEM:{CID:"10992","Compound Complexity":27.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"1-chlorohexane","IUPAC Name CAS-like Style":"1-chlorohexane","IUPAC Name Markup":"1-chlorohexane","IUPAC Name Preferred":"1-chlorohexane","IUPAC Name Systematic":"1-chloranylhexane","IUPAC Name Traditional":"1-chlorohexane",InChI:"1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3",InChIKey:"MLRVZFYXUZQSRU-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":120.0705781,"Molecular Formula":"C6H13Cl","Molecular Weight":120.62,"Monoisotopic Mass":120.0705781,Charge:0,"Easy Name":"1-chlorohexane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C6Cl1H13"},10996:{PUBCHEM:{CID:"10996","Compound Complexity":47,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Butyl nitrite","IUPAC Name CAS-like Style":"Nitrous acid butyl ester","IUPAC Name Markup":"Butyl nitrite","IUPAC Name Preferred":"Butyl nitrite","IUPAC Name Systematic":"Butyl nitrite","IUPAC Name Traditional":"Nitrous acid butyl ester",InChI:"1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3",InChIKey:"JQJPBYFTQAANLE-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":103.063328534,"Molecular Formula":"C4H9NO2","Molecular Weight":103.12,"Monoisotopic Mass":103.063328534,Charge:0,"Easy Name":"Butyl nitrite","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C4H9N1O2"},10997:{PUBCHEM:{CID:"10997","Compound Complexity":7.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;diformate","IUPAC Name CAS-like Style":"Calcium;diformate","IUPAC Name Markup":"Calcium;diformate","IUPAC Name Preferred":"Calcium;diformate","IUPAC Name Systematic":"Calcium;dimethanoate","IUPAC Name Traditional":"Calcium;diformate",InChI:"1S/2CH2O2.Ca/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",InChIKey:"CBOCVOKPQGJKKJ-UHFFFAOYSA-L","Exact Mass":129.9578994,"Molecular Formula":"C2H2CaO4","Molecular Weight":130.11,"Monoisotopic Mass":129.9578994,Charge:0,"Easy Name":"Calcium formate","Easy Category":"Preservative"},HSDB:{"Color And Form":{Value:"Orthorhombic crystals or crystalline powder"},Density:{Value:"2.015"},"Melting Point":{Value:"Greater than 300 °C"},Odor:{Value:"Slight acetic acid-like odor"},Solubility:{Value:"Practically insol in alc"},Uses:{Value:"Preservative for silage, food; binder for fine ore briquets; in drilling fluids and lubricants"}},ReducedFormula:"C2Ca1H2O4"},11005:{PUBCHEM:{CID:"11005","Compound Complexity":155,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"Tetradecanoic acid","IUPAC Name CAS-like Style":"Tetradecanoic acid","IUPAC Name Markup":"Tetradecanoic acid","IUPAC Name Preferred":"Tetradecanoic acid","IUPAC Name Systematic":"Tetradecanoic acid","IUPAC Name Traditional":"Myristic acid",InChI:"1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",InChIKey:"TUNFSRHWOTWDNC-UHFFFAOYSA-N","Log P":5.3,"Exact Mass":228.20893014,"Molecular Formula":"C14H28O2","Molecular Weight":228.37,"Monoisotopic Mass":228.20893014,Charge:0,"Easy Name":"Myristic acid","Easy Category":"Fatty acid"},HSDB:{"Boiling Point":{Value:"326.2 °C"},"Color And Form":{Value:"Oily, white, crystalline solid"},Density:{Value:"0.8622 at 54 °C/4 °C"},"Melting Point":{Value:"53.9 °C"},Odor:{Value:"The odor should be faint with no rancidity."},"Refractive Index":{Value:"Index of refraction: 1.4723 at 70 °C/D"},Solubility:{Value:"Sol in absolute alcohol, methanol, ether, petroleum ether, benzene, chloroform"},Uses:{Value:"CHEM INT FOR NITROGEN DERIVS-EG, ALKANOLAMINE CONDENSATES"},"Vapor Pressure":{Value:"1.40X10-6 mm Hg at 25 °C"},Viscosity:{Value:"5.83 mPa sec at 70 °C"}},ReducedFormula:"C14H28O2"},11009:{PUBCHEM:{CID:"11009","Compound Complexity":12.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cuprous;cyanide","IUPAC Name CAS-like Style":"Copper(1+);cyanide","IUPAC Name Markup":"Copper(1+);cyanide","IUPAC Name Preferred":"Copper(1+);cyanide","IUPAC Name Systematic":"Copper(1+);cyanide","IUPAC Name Traditional":"Cuprous;cyanide",InChI:"1S/CN.Cu/c1-2;/q-1;+1",InChIKey:"DOBRDRYODQBAMW-UHFFFAOYSA-N","Exact Mass":88.932671,"Molecular Formula":"CCuN","Molecular Weight":89.56,"Monoisotopic Mass":88.932671,Charge:0,"Easy Name":"Copper (I) cyanide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes"},"Color And Form":{Value:"White monoclinic prisms or green orthorhombic crystals"},Density:{Value:"2.9"},"Melting Point":{Value:"474 °C"},Solubility:{Value:"Practically insol in water, alcohol, cold dil acids; sol in ammonium hydroxide, sol in alkali cyanide solutions because of formation of stable cyanocuprate(I) ions"},Uses:{Value:"/former use/ As polymerization catalyst; in electroplating copper or iron; as insecticide, fungicide; as antifouling agent in marine paints"}},ReducedFormula:"C1Cu1N1"},11010:{PUBCHEM:{CID:"11010","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;carbanide","IUPAC Name CAS-like Style":"Zinc;carbanide","IUPAC Name Markup":"Zinc;carbanide","IUPAC Name Preferred":"Zinc;carbanide","IUPAC Name Systematic":"Zinc;carbanide","IUPAC Name Traditional":"Zinc;carbanide",InChI:"1S/2CH3.Zn/h2*1H3;/q2*-1;+2",InChIKey:"JRPGMCRJPQJYPE-UHFFFAOYSA-N","Exact Mass":93.976092,"Molecular Formula":"C2H6Zn","Molecular Weight":95.4,"Monoisotopic Mass":93.976092,Charge:0,"Easy Name":"Dimethylzinc","Easy Category":"Organometallic compounds"},HSDB:{"Boiling Point":{Value:"46 °C"},"Color And Form":{Value:"COLORLESS LIQUID"},Density:{Value:"1.386 AT 10.5 °C/4 °C"},"Heat Of Vaporization":{Value:"134.9 BTU/LB= 74.95 CAL/G= 3.138X10+5 J/KG"},"Melting Point":{Value:"-40 °C"},Solubility:{Value:"SOL IN XYLENE"},Uses:{Value:"Vulcanization acceleration, fungicide"},"Vapor Density":{Value:"Saturated vapor density= 0.10090 lb/cu ft @ 70 °C"},"Vapor Pressure":{Value:"vapor pressure = 376 mm Hg @ 25 °C"},Viscosity:{Value:"0.807 cP at 70 °F"}},ReducedFormula:"C2H6Zn1"},11027:{PUBCHEM:{CID:"11027","Compound Complexity":207,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one","IUPAC Name CAS-like Style":"4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanone","IUPAC Name Markup":"4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one","IUPAC Name Preferred":"4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one","IUPAC Name Systematic":"4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one","IUPAC Name Traditional":"1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one",InChI:"1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3",InChIKey:"USMNOWBWPHYOEA-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":"Thujone","Easy Category":"Ketone"},HSDB:{"Boiling Point":{Value:"203 °C"},"Color And Form":{Value:"Colorless or almost colorless liquid"},Density:{Value:"Specific gravity: 0.915-0.919 at 20 °C/20 °C"},Solubility:{Value:"In water, 407 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"0.449 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H16O1"},11029:{PUBCHEM:{CID:"11029","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;carbonate","IUPAC Name CAS-like Style":"Magnesium;carbonate","IUPAC Name Markup":"Magnesium;carbonate","IUPAC Name Preferred":"Magnesium;carbonate","IUPAC Name Systematic":"Magnesium;carbonate","IUPAC Name Traditional":"Magnesium;carbonate",InChI:"1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"ZLNQQNXFFQJAID-UHFFFAOYSA-L","Exact Mass":83.9697856,"Molecular Formula":"CMgO3","Molecular Weight":84.31,"Monoisotopic Mass":83.9697856,Charge:0,"Easy Name":"Magnesium carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Light, bulky, white powder"},Density:{Value:"3.0"},"Melting Point":{Value:"990 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.536 (alpha), 1.741 (beta)"},Solubility:{Value:"0.0106 G/100 CC COLD WATER"},Uses:{Value:"For magnesium carbonate (USEPA/OPP Pesticide Code: 073503) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C1Mg1O3"},11039:{PUBCHEM:{CID:"11039","Compound Complexity":66.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Methyl 2-methylpropanoate","IUPAC Name CAS-like Style":"2-methylpropanoic acid methyl ester","IUPAC Name Markup":"Methyl 2-methylpropanoate","IUPAC Name Preferred":"Methyl 2-methylpropanoate","IUPAC Name Systematic":"Methyl 2-methylpropanoate","IUPAC Name Traditional":"2-methylpropionic acid methyl ester",InChI:"1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3",InChIKey:"BHIWKHZACMWKOJ-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"Methyl isobutyrate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C5H10O2"},11048:{PUBCHEM:{CID:"11048","Compound Complexity":797,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-xanthen-9-yl)benzoate","IUPAC Name CAS-like Style":"Disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-9-xanthenyl)benzoate","IUPAC Name Markup":"Disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate","IUPAC Name Preferred":"Disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate","IUPAC Name Systematic":"Disodium;2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate","IUPAC Name Traditional":"Disodium;2-(2,4,5,7-tetrabromo-3-keto-6-oxido-xanthen-9-yl)benzoate",InChI:"1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",InChIKey:"SEACYXSIPDVVMV-UHFFFAOYSA-L","Exact Mass":691.67031,"Molecular Formula":"C20H6Br4Na2O5","Molecular Weight":691.9,"Monoisotopic Mass":687.67441,Charge:0,"Easy Name":"Eosin Y","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br4C20H6Na2O5"},11057:{PUBCHEM:{CID:"11057","Compound Complexity":542,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium;chloride","IUPAC Name CAS-like Style":"[4-[bis[4-(dimethylamino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium;chloride","IUPAC Name Markup":"[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride","IUPAC Name Preferred":"[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride","IUPAC Name Systematic":"[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium;chloride","IUPAC Name Traditional":"[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium;chloride",InChI:"1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1",InChIKey:"ZXJXZNDDNMQXFV-UHFFFAOYSA-M","Exact Mass":407.2128257,"Molecular Formula":"C25H30ClN3","Molecular Weight":408,"Monoisotopic Mass":407.2128257,Charge:0,"Easy Name":"Crystal violet","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"Dark green powder or greenish, glistening pieces with metallic luster"},"Melting Point":{Value:"215 °C (decomposes)"},Solubility:{Value:"Very soluble in water, chloroform"},Uses:{Value:"Basic violet 3 is a color additive that functions as nonoxidative hair colorants. Under the US Food and Drug Administration (FDA) voluntary cosmetic registration program (VCRP), manufacturers provide information on their use of individual cosmetic ingredients as a function of product type. No current uses of any of these ingredients are reported in the VCRP. Basic Violet 3 also is used as an acid-base indicator (pH 0, green; to pH 2.0, blue), a bacteria stain, and an antiseptic. It is classified as a class I medical device for its use as a dye and stain."},"Vapor Pressure":{Value:"1.02X10-13 mm Hg at 25 °C (est)"}},ReducedFormula:"C25Cl1H30N3"},11077:{PUBCHEM:{CID:"11077","Compound Complexity":463,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"7-hydroxy-10-oxido-phenoxazin-10-ium-3-one","IUPAC Name CAS-like Style":"7-hydroxy-10-oxido-3-phenoxazin-10-iumone","IUPAC Name Markup":"7-hydroxy-10-oxidophenoxazin-10-ium-3-one","IUPAC Name Preferred":"7-hydroxy-10-oxidophenoxazin-10-ium-3-one","IUPAC Name Systematic":"10-oxidanidyl-7-oxidanyl-phenoxazin-10-ium-3-one","IUPAC Name Traditional":"7-hydroxy-10-oxido-phenoxazin-10-ium-3-one",InChI:"1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H",InChIKey:"PLXBWHJQWKZRKG-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":229.037507709,"Molecular Formula":"C12H7NO4","Molecular Weight":229.19,"Monoisotopic Mass":229.037507709,Charge:0,"Easy Name":"Resazurin","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C12H7N1O4"},11087:{PUBCHEM:{CID:"11087","Compound Complexity":198,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-nitrobenzoic acid","IUPAC Name CAS-like Style":"2-nitrobenzoic acid","IUPAC Name Markup":"2-nitrobenzoic acid","IUPAC Name Preferred":"2-nitrobenzoic acid","IUPAC Name Systematic":"2-nitrobenzoic acid","IUPAC Name Traditional":"2-nitrobenzoic acid",InChI:"1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)",InChIKey:"SLAMLWHELXOEJZ-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":167.021857644,"Molecular Formula":"C7H5NO4","Molecular Weight":167.12,"Monoisotopic Mass":167.021857644,Charge:0,"Easy Name":"2-nitrobenzoic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C7H5N1O4"},11105:{PUBCHEM:{CID:"11105","Compound Complexity":319,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"N8,N8,3-trimethylphenazine-2,8-diamine;hydrochloride","IUPAC Name CAS-like Style":"N8,N8,3-trimethylphenazine-2,8-diamine;hydrochloride","IUPAC Name Markup":"8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride","IUPAC Name Preferred":"8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride","IUPAC Name Systematic":"N8,N8,3-trimethylphenazine-2,8-diamine;hydrochloride","IUPAC Name Traditional":"(8-amino-7-methyl-phenazin-2-yl)-dimethyl-amine;hydrochloride",InChI:"1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H",InChIKey:"PGSADBUBUOPOJS-UHFFFAOYSA-N","Exact Mass":288.1141743,"Molecular Formula":"C15H17ClN4","Molecular Weight":288.77,"Monoisotopic Mass":288.1141743,Charge:0,"Easy Name":"Neutral red","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C15Cl1H17N4"},11120:{PUBCHEM:{CID:"11120","Compound Complexity":92.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Dimethyl oxalate","IUPAC Name CAS-like Style":"Oxalic acid dimethyl ester","IUPAC Name Markup":"Dimethyl oxalate","IUPAC Name Preferred":"Dimethyl oxalate","IUPAC Name Systematic":"Dimethyl ethanedioate","IUPAC Name Traditional":"Oxalic acid dimethyl ester",InChI:"1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3",InChIKey:"LOMVENUNSWAXEN-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":118.026608672,"Molecular Formula":"C4H6O4","Molecular Weight":118.09,"Monoisotopic Mass":118.026608672,Charge:0,"Easy Name":"Dimethyl oxalate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C4H6O4"},11124:{PUBCHEM:{CID:"11124","Compound Complexity":49.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Methyl propanoate","IUPAC Name CAS-like Style":"Propanoic acid methyl ester","IUPAC Name Markup":"Methyl propanoate","IUPAC Name Preferred":"Methyl propanoate","IUPAC Name Systematic":"Methyl propanoate","IUPAC Name Traditional":"Propionic acid methyl ester",InChI:"1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3",InChIKey:"RJUFJBKOKNCXHH-UHFFFAOYSA-N","Log P":.8,"Exact Mass":88.052429497,"Molecular Formula":"C4H8O2","Molecular Weight":88.11,"Monoisotopic Mass":88.052429497,Charge:0,"Easy Name":"Methyl propionate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"79.8 °C"},"Color And Form":{Value:"Colorless liq"},Density:{Value:"0.915 @ 20 °C/4 °C"},"Melting Point":{Value:"-87.5 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"SWEET, FRUITY, RUM-LIKE ODOR"},"Refractive Index":{Value:"Index of refraction: 1.3775 @ 20 °C/D"},Solubility:{Value:"COMPLETELY MISCIBLE WITH PROPYLENE GLYCOL"},Taste:{Value:"SWEET, RUM TASTE"},Uses:{Value:"In org synthesis"},"Vapor Density":{Value:"3.03 (Air= 1)"},"Vapor Pressure":{Value:"84.04 mm Hg @ 25 °C"}},ReducedFormula:"C4H8O2"},11125:{PUBCHEM:{CID:"11125","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dilithium;carbonate","IUPAC Name CAS-like Style":"Dilithium;carbonate","IUPAC Name Markup":"Dilithium;carbonate","IUPAC Name Preferred":"Dilithium;carbonate","IUPAC Name Systematic":"Dilithium;carbonate","IUPAC Name Traditional":"Dilithium;carbonate",InChI:"1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",InChIKey:"XGZVUEUWXADBQD-UHFFFAOYSA-L","Exact Mass":74.01675073,"Molecular Formula":"CLi2O3","Molecular Weight":73.9,"Monoisotopic Mass":74.01675073,Charge:0,"Easy Name":"Lithium carbonate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes at 1300 °C"},"Color And Form":{Value:"White, light, alkaline powder"},Density:{Value:"2.11 g/cu cm"},"Melting Point":{Value:"723 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.428, 1.567, 1.572"},Solubility:{Value:"Solubility in water (wt%): 1.52 at 0 °C; 1.31 at 20 °C; 1.16 at 40 °C; 1.00 at 60 °C; 0.84 at 80 °C; 0.71 at 100 °C"},Uses:{Value:"MEDICATION"}},ReducedFormula:"C1Li2O3"},11137:{PUBCHEM:{CID:"11137","Compound Complexity":131,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"3-nitrophenol","IUPAC Name CAS-like Style":"3-nitrophenol","IUPAC Name Markup":"3-nitrophenol","IUPAC Name Preferred":"3-nitrophenol","IUPAC Name Systematic":"3-nitrophenol","IUPAC Name Traditional":"3-nitrophenol",InChI:"1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H",InChIKey:"RTZZCYNQPHTPPL-UHFFFAOYSA-N","Log P":2,"Exact Mass":139.026943024,"Molecular Formula":"C6H5NO3","Molecular Weight":139.11,"Monoisotopic Mass":139.026943024,Charge:0,"Easy Name":"3-nitrophenol","Easy Category":"Nitro compound"},HSDB:{"Color And Form":{Value:"Monoclinic prisms from ether and dilute hydrochloric acid"},Density:{Value:"1.485 at 20 °C/4 °C; 1.2797 at 100 °C/4 °C"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of 3-nitrophenol stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, dermal absorption), exposure to this sweet-smelling, colorless to yellow, crystalline substance, may occur from its use as a fungicide for leather products or as a chemical intermediate in organic sytheses. Effects from exposure may include burns to the skin and eyes, headache, dizziness, shock, unconsciousness, and death from cardiac or pulmonary failure. Contact with 3-nitrophenol should be protected against by wearing a self-contained breathing apparatus, rubber gloves, goggles, and chemical protective clothing which is specifically recommended by the shipper or producer. If contact does occur, immediately flush affected skin or eyes with running water for at least 15 minutes, and remove and isolate contaminated clothing at the site. While 3-nitrophenol does not ignite easily, it can burn, emitting toxic oxides of nitrogen. Also, containers may explode in the heat of a fire. For small fires involving 3-nitrophenol, extinguish with dry chemical, CO2, Halon, water spray, or standard foam, and for large fires, use water spray, fog, or standard foam. Runoff from fire control water may give off poisonous gases or cause pollution, and should be controlled by diking, as necessary. 3-Nitrophenol should be stored away from oxidizing agents, in a cool, well-ventilated, fireproofed area. Small spills of 3-nitrophenol may be taken up (if liquid, with sand or other noncombustible absorbent) and placed into containers for later disposal. Large spills should be contained in pits, or other holding areas that are sealed with an impermeable flexible membrane liner. Solids should be covered with a plastic sheet. Liquids should be neutralized with slaked lime, crushed limestone, or sodium bicarbonate, and diked, if necessary, to prevent runoff from entering water sources or sewers. Spills of 3-nitrophenol in water may need to be trapped at the bottom with sand bag barriers, activated charcoal applied, and the trapped material removed with suction hoses, mechanical dredges, or lifts. Prior to implementing permanent land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance."},"Melting Point":{Value:"96.8 °C"},Solubility:{Value:"Soluble in hot and dilute acids, in caustic solutions; insoluble in petroleum ether"},Uses:{Value:"As indicator in 0.3% solution in 50% alcohol. pH: 6.8 colorless, 8.6 yellow."},"Vapor Pressure":{Value:"1.5X10-4 mm Hg at 25 °C /extrapolated from 0.09 mm Hg at 84 °C, 0.26 mm Hg at 96.1 °C/"}},ReducedFormula:"C6H5N1O3"},11138:{PUBCHEM:{CID:"11138","Compound Complexity":237,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"Benzene-1,3,5-tricarboxylic acid","IUPAC Name CAS-like Style":"Benzene-1,3,5-tricarboxylic acid","IUPAC Name Markup":"Benzene-1,3,5-tricarboxylic acid","IUPAC Name Preferred":"Benzene-1,3,5-tricarboxylic acid","IUPAC Name Systematic":"Benzene-1,3,5-tricarboxylic acid","IUPAC Name Traditional":"Trimesic acid",InChI:"1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",InChIKey:"QMKYBPDZANOJGF-UHFFFAOYSA-N","Log P":.5,"Exact Mass":210.01643791,"Molecular Formula":"C9H6O6","Molecular Weight":210.14,"Monoisotopic Mass":210.01643791,Charge:0,"Easy Name":"Trimesic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H6O6"},11146:{PUBCHEM:{CID:"11146","Compound Complexity":886,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":56,"IUPAC Name Allowed":"2,3-di(octadecanoyloxy)propyl octadecanoate","IUPAC Name CAS-like Style":"Octadecanoic acid 2,3-bis(1-oxooctadecoxy)propyl ester","IUPAC Name Markup":"2,3-di(octadecanoyloxy)propyl octadecanoate","IUPAC Name Preferred":"2,3-di(octadecanoyloxy)propyl octadecanoate","IUPAC Name Systematic":"2,3-di(octadecanoyloxy)propyl octadecanoate","IUPAC Name Traditional":"Stearic acid 2,3-distearoyloxypropyl ester",InChI:"1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3",InChIKey:"DCXXMTOCNZCJGO-UHFFFAOYSA-N","Log P":25.2,"Exact Mass":890.83024126,"Molecular Formula":"C57H110O6","Molecular Weight":891.5,"Monoisotopic Mass":890.83024126,Charge:0,"Easy Name":"Stearin","Easy Category":"Triglyceride"},HSDB:{"Color And Form":{Value:"White powder"},Density:{Value:"0.8559 at 90 °C/4 °C"},"Melting Point":{Value:"MP: 55 °C (ALPHA), 64.5 °C (BETA'), 73 °C (BETA)"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction = 1.4385 at 80 °C/D"},Solubility:{Value:"Insoluble in water. Soluble in chloroform, carbon disulfide"},Taste:{Value:"Tasteless"},Uses:{Value:"In textile sizes. Formerly in making candles."},"Vapor Pressure":{Value:"5.4X10-17 mm Hg at 25 °C /Estimated/"}},ReducedFormula:"C57H110O6"},11147:{PUBCHEM:{CID:"11147","Compound Complexity":798,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":50,"IUPAC Name Allowed":"2,3-di(hexadecanoyloxy)propyl hexadecanoate","IUPAC Name CAS-like Style":"Hexadecanoic acid 2,3-bis(1-oxohexadecoxy)propyl ester","IUPAC Name Markup":"2,3-di(hexadecanoyloxy)propyl hexadecanoate","IUPAC Name Preferred":"2,3-di(hexadecanoyloxy)propyl hexadecanoate","IUPAC Name Systematic":"2,3-di(hexadecanoyloxy)propyl hexadecanoate","IUPAC Name Traditional":"Palmitic acid 2,3-di(hexadecanoyloxy)propyl ester",InChI:"1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3",InChIKey:"PVNIQBQSYATKKL-UHFFFAOYSA-N","Log P":21.9,"Exact Mass":806.73634088,"Molecular Formula":"C51H98O6","Molecular Weight":807.3,"Monoisotopic Mass":806.73634088,Charge:0,"Easy Name":"Palmitin","Easy Category":"Triglyceride"},HSDB:{},ReducedFormula:"C51H98O6"},11148:{PUBCHEM:{CID:"11148","Compound Complexity":711,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":44,"IUPAC Name Allowed":"2,3-di(tetradecanoyloxy)propyl tetradecanoate","IUPAC Name CAS-like Style":"Tetradecanoic acid 2,3-bis(1-oxotetradecoxy)propyl ester","IUPAC Name Markup":"2,3-di(tetradecanoyloxy)propyl tetradecanoate","IUPAC Name Preferred":"2,3-di(tetradecanoyloxy)propyl tetradecanoate","IUPAC Name Systematic":"2,3-di(tetradecanoyloxy)propyl tetradecanoate","IUPAC Name Traditional":"Myristic acid 2,3-di(tetradecanoyloxy)propyl ester",InChI:"1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3",InChIKey:"DUXYWXYOBMKGIN-UHFFFAOYSA-N","Log P":18.7,"Exact Mass":722.64244049,"Molecular Formula":"C45H86O6","Molecular Weight":723.2,"Monoisotopic Mass":722.64244049,Charge:0,"Easy Name":"Trimyristin","Easy Category":"Triglyceride"},HSDB:{},ReducedFormula:"C45H86O6"},11177:{PUBCHEM:{CID:"11177","Compound Complexity":196,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":30,"IUPAC Name Allowed":"Magnesium;octadecanoate","IUPAC Name CAS-like Style":"Magnesium;octadecanoate","IUPAC Name Markup":"Magnesium;octadecanoate","IUPAC Name Preferred":"Magnesium;octadecanoate","IUPAC Name Systematic":"Magnesium;octadecanoate","IUPAC Name Traditional":"Magnesium;stearate",InChI:"1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",InChIKey:"HQKMJHAJHXVSDF-UHFFFAOYSA-L","Exact Mass":590.5124524,"Molecular Formula":"C36H70MgO4","Molecular Weight":591.2,"Monoisotopic Mass":590.5124524,Charge:0,"Easy Name":"Magnesium stearate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"LUMPS"},Density:{Value:"1.028"},"Melting Point":{Value:"88.5 °C (pure)"},Odor:{Value:"Odorless"},Solubility:{Value:"IN 100 CC WATER: 0.003 G @ 15 °C; 0.004 G @ 25 °C; 0.008 G @ 50 °C"},Taste:{Value:"Tasteless"},Uses:{Value:"IN BABY DUSTING POWDERS"}},ReducedFormula:"C36H70Mg1O4"},11183:{PUBCHEM:{CID:"11183","Compound Complexity":3.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;ethane","IUPAC Name CAS-like Style":"Magnesium;ethane","IUPAC Name Markup":"Magnesium;ethane","IUPAC Name Preferred":"Magnesium;ethane","IUPAC Name Systematic":"Magnesium;ethane","IUPAC Name Traditional":"Magnesium;ethane",InChI:"1S/2C2H5.Mg/c2*1-2;/h2*1H2,2H3;/q2*-1;+2",InChIKey:"DLPASUVGCQPFFO-UHFFFAOYSA-N","Exact Mass":82.063292,"Molecular Formula":"C4H10Mg","Molecular Weight":82.43,"Monoisotopic Mass":82.063292,Charge:0,"Easy Name":"Diethylmagnesium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C4H10Mg1"},11184:{PUBCHEM:{CID:"11184","Compound Complexity":31.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;dicyanide","IUPAC Name CAS-like Style":"Nickel(2+);dicyanide","IUPAC Name Markup":"Nickel(2+);dicyanide","IUPAC Name Preferred":"Nickel(2+);dicyanide","IUPAC Name Systematic":"Nickel(2+);dicyanide","IUPAC Name Traditional":"Nickelous;dicyanide",InChI:"1S/2CN.Ni/c2*1-2;/q2*-1;+2",InChIKey:"NLEUXPOVZGDKJI-UHFFFAOYSA-N","Exact Mass":109.94149,"Molecular Formula":"C2N2Ni","Molecular Weight":110.73,"Monoisotopic Mass":109.94149,Charge:0,"Easy Name":"Nickel (II) cyanide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"YELLOW-BROWN"},Density:{Value:"2.393 g/cu cm"},"Melting Point":{Value:">200 °C"},Odor:{Value:"WEAK CHARACTERISTIC ODOR OF CYANIDE"},Solubility:{Value:"INSOL IN COLD OR HOT WATER"},Uses:{Value:"In nickel plating"}},ReducedFormula:"C2N2Ni1"},11185:{PUBCHEM:{CID:"11185","Compound Complexity":3.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;ethane","IUPAC Name CAS-like Style":"Zinc;ethane","IUPAC Name Markup":"Zinc;ethane","IUPAC Name Preferred":"Zinc;ethane","IUPAC Name Systematic":"Zinc;ethane","IUPAC Name Traditional":"Zinc;ethane",InChI:"1S/2C2H5.Zn/c2*1-2;/h2*1H2,2H3;/q2*-1;+2",InChIKey:"IPSRAFUHLHIWAR-UHFFFAOYSA-N","Exact Mass":122.007392,"Molecular Formula":"C4H10Zn","Molecular Weight":123.5,"Monoisotopic Mass":122.007392,Charge:0,"Easy Name":"Diethylzinc","Easy Category":"Organometallic compounds"},HSDB:{"Boiling Point":{Value:"118 °C"},"Color And Form":{Value:"MOBILE LIQUID"},Density:{Value:"1.2065 @ 20 °C/4 °C"},"Heat Of Vaporization":{Value:"120 BTU/LB= 68 CAL/G= 2.8X10+5 J/KG"},"Melting Point":{Value:"-28 °C"},"NFPA Hazard Classification":{Value:"3-4-3"},Odor:{Value:"Garlic-like odor"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4936 @ 20 °C/ALPHA HYDROGEN"},Solubility:{Value:"MISCIBLE WITH ETHER, PETROLEUM ETHER, BENZENE, HYDROCARBONS"},Uses:{Value:"ORGANIC SYNTHESIS; CATALYST FOR POLYMERIZATION OF OLEFINS; HIGH ENERGY AIRCRAFT & MISSILE FUEL; PRODUCTION OF ETHYL MERCURIC CHLORIDE"},"Vapor Pressure":{Value:"20.8 mm Hg @ 25 °C"},Viscosity:{Value:"0.682 cP at 70 °F"}},ReducedFormula:"C4H10Zn1"},11186:{PUBCHEM:{CID:"11186","Compound Complexity":31.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;dicyanide","IUPAC Name CAS-like Style":"Zinc;dicyanide","IUPAC Name Markup":"Zinc;dicyanide","IUPAC Name Preferred":"Zinc;dicyanide","IUPAC Name Systematic":"Zinc;dicyanide","IUPAC Name Traditional":"Zinc;dicyanide",InChI:"1S/2CN.Zn/c2*1-2;/q2*-1;+2",InChIKey:"GTLDTDOJJJZVBW-UHFFFAOYSA-N","Exact Mass":115.93529,"Molecular Formula":"C2N2Zn","Molecular Weight":117.4,"Monoisotopic Mass":115.93529,Charge:0,"Easy Name":"Zinc cyanide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White powder"},Density:{Value:"1.852 at 20 °C/4 °C"},"Melting Point":{Value:"800 °C, decomposes"},Odor:{Value:"Odor of bitter almonds"},Solubility:{Value:"Sol in solutions of alkali cyanides or hydroxides"},Taste:{Value:"Tasteless"},Uses:{Value:"Metal plating; chemical reagent; in insecticide"}},ReducedFormula:"C2N2Zn1"},11192:{PUBCHEM:{CID:"11192","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;diacetate","IUPAC Name CAS-like Style":"Zinc;diacetate","IUPAC Name Markup":"Zinc;diacetate","IUPAC Name Preferred":"Zinc;diacetate","IUPAC Name Systematic":"Zinc;diethanoate","IUPAC Name Traditional":"Zinc;diacetate",InChI:"1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"DJWUNCQRNNEAKC-UHFFFAOYSA-L","Exact Mass":181.95575,"Molecular Formula":"C4H6O4Zn","Molecular Weight":183.5,"Monoisotopic Mass":181.95575,Charge:0,"Easy Name":"Zinc acetate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"Exists in two crystalline forms, alpha (wurtzite) and beta (sphalerite)"},Density:{Value:"4.04 g/cu cm (sphalerite); 4.09 g/cu cm (wurtzite)"},Solubility:{Value:"Insol in alkalies; sol in dil mineral acids"},Uses:{Value:"Preserving wood; as mordant in dyeing; manutactures glazes for painting on porcelain; as a reagent in testing for albumin, tannin, urobilin, phosphate, blood."}},ReducedFormula:"C4H6O4Zn1"},11197:{PUBCHEM:{CID:"11197","Compound Complexity":275,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":22,"IUPAC Name Allowed":"Tetracosanoic acid","IUPAC Name CAS-like Style":"Tetracosanoic acid","IUPAC Name Markup":"Tetracosanoic acid","IUPAC Name Preferred":"Tetracosanoic acid","IUPAC Name Systematic":"Tetracosanoic acid","IUPAC Name Traditional":"Lignoceric acid",InChI:"1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",InChIKey:"QZZGJDVWLFXDLK-UHFFFAOYSA-N","Log P":10.7,"Exact Mass":368.36543079,"Molecular Formula":"C24H48O2","Molecular Weight":368.6,"Monoisotopic Mass":368.36543079,Charge:0,"Easy Name":"Lignoceric acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C24H48O2"},11204:{PUBCHEM:{CID:"11204","Compound Complexity":33,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Acetyl fluoride","IUPAC Name CAS-like Style":"Acetyl fluoride","IUPAC Name Markup":"Acetyl fluoride","IUPAC Name Preferred":"Acetyl fluoride","IUPAC Name Systematic":"Ethanoyl fluoride","IUPAC Name Traditional":"Acetyl fluoride",InChI:"1S/C2H3FO/c1-2(3)4/h1H3",InChIKey:"JUCMRTZQCZRJDC-UHFFFAOYSA-N","Log P":.2,"Exact Mass":62.016792879,"Molecular Formula":"C2H3FO","Molecular Weight":62.04,"Monoisotopic Mass":62.016792879,Charge:0,"Easy Name":"Acetyl fluoride","Easy Category":"Organofluorides"},HSDB:{},ReducedFormula:"C2F1H3O1"},11205:{PUBCHEM:{CID:"11205","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon tetrabromide","IUPAC Name CAS-like Style":"Tetrabromomethane","IUPAC Name Markup":"Tetrabromomethane","IUPAC Name Preferred":"Tetrabromomethane","IUPAC Name Systematic":"Tetrakis(bromanyl)methane","IUPAC Name Traditional":"Carbon tetrabromide",InChI:"1S/CBr4/c2-1(3,4)5",InChIKey:"HJUGFYREWKUQJT-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":331.66925,"Molecular Formula":"CBr4","Molecular Weight":331.63,"Monoisotopic Mass":327.67335,Charge:0,"Easy Name":"Tetrabromomethane","Easy Category":"Organobromides"},HSDB:{"Boiling Point":{Value:"189.5 °C"},"Color And Form":{Value:"Colorless, monoclinic tablets"},Density:{Value:"2.9608 @ 100 °C/4 °C"},"Heat Of Vaporization":{Value:"10,771.4 gcal/gmole"},"Melting Point":{Value:"90.1 °C"},Odor:{Value:"Slight odor."},"Refractive Index":{Value:"Index of refraction: 1.5942 @ 100 °C/D (alpha)"},Solubility:{Value:"Sol in alcohol, ether, chloroform"},Uses:{Value:"Organic synthesis"},"Vapor Density":{Value:"11.4"},"Vapor Pressure":{Value:"0.72 mm Hg @ 25 °C"}},ReducedFormula:"Br4C1"},11215:{PUBCHEM:{CID:"11215","Compound Complexity":60.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,3,3-trimethylpentane","IUPAC Name CAS-like Style":"2,3,3-trimethylpentane","IUPAC Name Markup":"2,3,3-trimethylpentane","IUPAC Name Preferred":"2,3,3-trimethylpentane","IUPAC Name Systematic":"2,3,3-trimethylpentane","IUPAC Name Traditional":"2,3,3-trimethylpentane",InChI:"1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3",InChIKey:"OKVWYBALHQFVFP-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":114.14085058,"Molecular Formula":"C8H18","Molecular Weight":114.23,"Monoisotopic Mass":114.14085058,Charge:0,"Easy Name":"2, 3, 3-Trimethylpentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C8H18"},11229:{PUBCHEM:{CID:"11229","Compound Complexity":38,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3,3-dimethylpentane","IUPAC Name CAS-like Style":"3,3-dimethylpentane","IUPAC Name Markup":"3,3-dimethylpentane","IUPAC Name Preferred":"3,3-dimethylpentane","IUPAC Name Systematic":"3,3-dimethylpentane","IUPAC Name Traditional":"3,3-dimethylpentane",InChI:"1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3",InChIKey:"AEXMKKGTQYQZCS-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":100.12520052,"Molecular Formula":"C7H16","Molecular Weight":100.2,"Monoisotopic Mass":100.12520052,Charge:0,"Easy Name":"3, 3-Dimethylpentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C7H16"},11240:{PUBCHEM:{CID:"11240","Compound Complexity":35.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-methylbut-1-ene","IUPAC Name CAS-like Style":"2-methyl-1-butene","IUPAC Name Markup":"2-methylbut-1-ene","IUPAC Name Preferred":"2-methylbut-1-ene","IUPAC Name Systematic":"2-methylbut-1-ene","IUPAC Name Traditional":"2-methylbut-1-ene",InChI:"1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3",InChIKey:"MHNNAWXXUZQSNM-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"2-Methylbut-1-ene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"31.2 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.6504 @ 20 °C/4 °C"},"Melting Point":{Value:"-137.5 °C"},"NFPA Hazard Classification":{Value:"2-4-0"},Odor:{Value:"Disagreeable odor"},"Refractive Index":{Value:"Index of refraction: 1.3378 @ 20 °C/D"},Solubility:{Value:"Sol in alcohol, ether, benzene"},Uses:{Value:"Organic synthesis, pesticide formulations"},"Vapor Pressure":{Value:"610 mm Hg @ 25 °C"}},ReducedFormula:"C5H10"},11246:{PUBCHEM:{CID:"11246","Compound Complexity":25.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;acetate","IUPAC Name CAS-like Style":"Silver;acetate","IUPAC Name Markup":"Silver;acetate","IUPAC Name Preferred":"Silver;acetate","IUPAC Name Systematic":"Silver;ethanoate","IUPAC Name Traditional":"Silver;acetate",InChI:"1S/C2H4O2.Ag/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",InChIKey:"CQLFBEKRDQMJLZ-UHFFFAOYSA-M","Exact Mass":165.9184,"Molecular Formula":"C2H3AgO2","Molecular Weight":166.91,"Monoisotopic Mass":165.9184,Charge:0,"Easy Name":"Silver acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Ag1C2H3O2"},11247:{PUBCHEM:{CID:"11247","Compound Complexity":25.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(1+);acetate","IUPAC Name CAS-like Style":"Thallium(1+);acetate","IUPAC Name Markup":"Thallium(1+);acetate","IUPAC Name Preferred":"Thallium(1+);acetate","IUPAC Name Systematic":"Thallium(1+);ethanoate","IUPAC Name Traditional":"Thallium(1+);acetate",InChI:"1S/C2H4O2.Tl/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",InChIKey:"HQOJMTATBXYHNR-UHFFFAOYSA-M","Exact Mass":263.98773,"Molecular Formula":"C2H3O2Tl","Molecular Weight":263.43,"Monoisotopic Mass":263.98773,Charge:0,"Easy Name":"Thallous acetate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"WHITE CRYSTALS"},Density:{Value:"3.68"},"Melting Point":{Value:"131 °C"},Odor:{Value:"... Odorless"},Solubility:{Value:"SOL IN ALCOHOL AND WATER"},Uses:{Value:"HIGH SPECIFIC GRAVITY SOLN USED TO SEPARATE ORE CONSTITUENTS BY FLOTATION"}},ReducedFormula:"C2H3O2Tl1"},11248:{PUBCHEM:{CID:"11248","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;carbonate","IUPAC Name CAS-like Style":"Iron(2+);carbonate","IUPAC Name Markup":"Iron(2+);carbonate","IUPAC Name Preferred":"Iron(2+);carbonate","IUPAC Name Systematic":"Iron(2+);carbonate","IUPAC Name Traditional":"Ferrous;carbonate",InChI:"1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"RAQDACVRFCEPDA-UHFFFAOYSA-L","Exact Mass":115.919679,"Molecular Formula":"CFeO3","Molecular Weight":115.85,"Monoisotopic Mass":115.919679,Charge:0,"Easy Name":"Iron (II) carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Precipitates as a white solid"},Density:{Value:"3.9 g/cu cm"},Solubility:{Value:"0.0067 G SOL IN 1 LITER OF WATER @ 25 °C; SOL IN CARBONIC ACID SOLUTION"},Uses:{Value:"MEDICATION (VET)"}},ReducedFormula:"C1Fe1O3"},11260:{PUBCHEM:{CID:"11260","Compound Complexity":37.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,3-dimethylpentane","IUPAC Name CAS-like Style":"2,3-dimethylpentane","IUPAC Name Markup":"2,3-dimethylpentane","IUPAC Name Preferred":"2,3-dimethylpentane","IUPAC Name Systematic":"2,3-dimethylpentane","IUPAC Name Traditional":"2,3-dimethylpentane",InChI:"1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3",InChIKey:"WGECXQBGLLYSFP-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":100.12520052,"Molecular Formula":"C7H16","Molecular Weight":100.2,"Monoisotopic Mass":100.12520052,Charge:0,"Easy Name":"2, 3-Dimethylpentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C7H16"},11261:{PUBCHEM:{CID:"11261","Compound Complexity":43.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"3-methylpentan-2-ol","IUPAC Name CAS-like Style":"3-methyl-2-pentanol","IUPAC Name Markup":"3-methylpentan-2-ol","IUPAC Name Preferred":"3-methylpentan-2-ol","IUPAC Name Systematic":"3-methylpentan-2-ol","IUPAC Name Traditional":"3-methylpentan-2-ol",InChI:"1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3",InChIKey:"ZXNBBWHRUSXUFZ-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":102.10446507,"Molecular Formula":"C6H14O","Molecular Weight":102.17,"Monoisotopic Mass":102.10446507,Charge:0,"Easy Name":"3-Methyl-2-pentanol","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C6H14O1"},11264:{PUBCHEM:{CID:"11264","Compound Complexity":41.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-methylpentan-3-ol","IUPAC Name CAS-like Style":"2-methyl-3-pentanol","IUPAC Name Markup":"2-methylpentan-3-ol","IUPAC Name Preferred":"2-methylpentan-3-ol","IUPAC Name Systematic":"2-methylpentan-3-ol","IUPAC Name Traditional":"2-methylpentan-3-ol",InChI:"1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3",InChIKey:"ISTJMQSHILQAEC-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":102.10446507,"Molecular Formula":"C6H14O","Molecular Weight":102.17,"Monoisotopic Mass":102.10446507,Charge:0,"Easy Name":"2-Methyl-3-pentanol","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C6H14O1"},11271:{PUBCHEM:{CID:"11271","Compound Complexity":72.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,4-dimethylpentan-3-one","IUPAC Name CAS-like Style":"2,4-dimethyl-3-pentanone","IUPAC Name Markup":"2,4-dimethylpentan-3-one","IUPAC Name Preferred":"2,4-dimethylpentan-3-one","IUPAC Name Systematic":"2,4-dimethylpentan-3-one","IUPAC Name Traditional":"2,4-dimethylpentan-3-one",InChI:"1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3",InChIKey:"HXVNBWAKAOHACI-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":114.10446507,"Molecular Formula":"C7H14O","Molecular Weight":114.19,"Monoisotopic Mass":114.10446507,Charge:0,"Easy Name":"Diisopropyl ketone","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C7H14O1"},11279:{PUBCHEM:{CID:"11279","Compound Complexity":155,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"2-hydroxy-6-methyl-benzoic acid","IUPAC Name CAS-like Style":"2-hydroxy-6-methylbenzoic acid","IUPAC Name Markup":"2-hydroxy-6-methylbenzoic acid","IUPAC Name Preferred":"2-hydroxy-6-methylbenzoic acid","IUPAC Name Systematic":"2-methyl-6-oxidanyl-benzoic acid","IUPAC Name Traditional":"2-hydroxy-6-methyl-benzoic acid",InChI:"1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)",InChIKey:"HCJMNOSIAGSZBM-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":152.047344117,"Molecular Formula":"C8H8O3","Molecular Weight":152.15,"Monoisotopic Mass":152.047344117,Charge:0,"Easy Name":"6-methylsalicylic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C8H8O3"},11287:{PUBCHEM:{CID:"11287","Compound Complexity":134,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,8-dimethylnaphthalene","IUPAC Name CAS-like Style":"1,8-dimethylnaphthalene","IUPAC Name Markup":"1,8-dimethylnaphthalene","IUPAC Name Preferred":"1,8-dimethylnaphthalene","IUPAC Name Systematic":"1,8-dimethylnaphthalene","IUPAC Name Traditional":"1,8-dimethylnaphthalene",InChI:"1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3",InChIKey:"XAABPYINPXYOLM-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":156.09390039,"Molecular Formula":"C12H12","Molecular Weight":156.22,"Monoisotopic Mass":156.09390039,Charge:0,"Easy Name":"1, 8-Dimethylnaphthalene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C12H12"},11288:{PUBCHEM:{CID:"11288","Compound Complexity":275,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"Benzene-1,2,3-tricarboxylic acid","IUPAC Name CAS-like Style":"Benzene-1,2,3-tricarboxylic acid","IUPAC Name Markup":"Benzene-1,2,3-tricarboxylic acid","IUPAC Name Preferred":"Benzene-1,2,3-tricarboxylic acid","IUPAC Name Systematic":"Benzene-1,2,3-tricarboxylic acid","IUPAC Name Traditional":"Hemimellitic acid",InChI:"1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",InChIKey:"UJMDYLWCYJJYMO-UHFFFAOYSA-N","Log P":.3,"Exact Mass":210.01643791,"Molecular Formula":"C9H6O6","Molecular Weight":210.14,"Monoisotopic Mass":210.01643791,Charge:0,"Easy Name":"Hemimellitic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H6O6"},11294:{PUBCHEM:{CID:"11294","Compound Complexity":516,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"[4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium;chloride","IUPAC Name CAS-like Style":"[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium;chloride","IUPAC Name Markup":"[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride","IUPAC Name Preferred":"[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride","IUPAC Name Systematic":"[4-[[4-(dimethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium;chloride","IUPAC Name Traditional":"[4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium;chloride",InChI:"1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1",InChIKey:"FDZZZRQASAIRJF-UHFFFAOYSA-M","Exact Mass":364.1706265,"Molecular Formula":"C23H25ClN2","Molecular Weight":364.9,"Monoisotopic Mass":364.1706265,Charge:0,"Easy Name":"Malachite green","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Color And Form":{Value:"Green crystals with metallic luster"},pH:{Value:"1% sol in water has a pH of 1.4"},Solubility:{Value:"Sol in alcohol, methanol, amyl alcohol"},Uses:{Value:'The active ingredient is no longer contained in any registered products ... "cancelled."'},"Vapor Pressure":{Value:"2.4X10-13 mm Hg at 25 °C /Estimated/"}},ReducedFormula:"C23Cl1H25N2"},11304:{PUBCHEM:{CID:"11304","Compound Complexity":132,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4-dimethylnaphthalene","IUPAC Name CAS-like Style":"1,4-dimethylnaphthalene","IUPAC Name Markup":"1,4-dimethylnaphthalene","IUPAC Name Preferred":"1,4-dimethylnaphthalene","IUPAC Name Systematic":"1,4-dimethylnaphthalene","IUPAC Name Traditional":"1,4-dimethylnaphthalene",InChI:"1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3",InChIKey:"APQSQLNWAIULLK-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":156.09390039,"Molecular Formula":"C12H12","Molecular Weight":156.22,"Monoisotopic Mass":156.09390039,Charge:0,"Easy Name":"1, 4-dimethylnaphthalene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C12H12"},11306:{PUBCHEM:{CID:"11306","Compound Complexity":132,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,5-dimethylnaphthalene","IUPAC Name CAS-like Style":"1,5-dimethylnaphthalene","IUPAC Name Markup":"1,5-dimethylnaphthalene","IUPAC Name Preferred":"1,5-dimethylnaphthalene","IUPAC Name Systematic":"1,5-dimethylnaphthalene","IUPAC Name Traditional":"1,5-dimethylnaphthalene",InChI:"1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3",InChIKey:"SDDBCEWUYXVGCQ-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":156.09390039,"Molecular Formula":"C12H12","Molecular Weight":156.22,"Monoisotopic Mass":156.09390039,Charge:0,"Easy Name":"1, 5-Dimethylnaphthalene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C12H12"},11312:{PUBCHEM:{CID:"11312","Compound Complexity":198,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2,6-dinitrophenol","IUPAC Name CAS-like Style":"2,6-dinitrophenol","IUPAC Name Markup":"2,6-dinitrophenol","IUPAC Name Preferred":"2,6-dinitrophenol","IUPAC Name Systematic":"2,6-dinitrophenol","IUPAC Name Traditional":"2,6-dinitrophenol",InChI:"1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H",InChIKey:"JCRIDWXIBSEOEG-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":184.01202124,"Molecular Formula":"C6H4N2O5","Molecular Weight":184.11,"Monoisotopic Mass":184.01202124,Charge:0,"Easy Name":"2, 6-Dinitrophenol","Easy Category":"PH indicator"},HSDB:{"Color And Form":{Value:"Pale yellow rhomboid needles or leaflets from dilute alcohol"},"Melting Point":{Value:"63.5 °C"},pH:{Value:"pH range: 2.0 colorless; 4.0 yellow"},Solubility:{Value:"Slightly soluble in cold water or cold alcohol; freely soluble in chloroform, ether, boiling alcohol, fixed alkali hydroxide solution"},Uses:{Value:"In manufacture of dyes and organic chemicals, as indicator"},"Vapor Density":{Value:"6.35 (Air= 1)"},"Vapor Pressure":{Value:"1.2X10-5 mm Hg at 25 °C (est)"}},ReducedFormula:"C6H4N2O5"},11313:{PUBCHEM:{CID:"11313","Compound Complexity":1180,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"Disodium;4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]phenyl]phenyl]azo-naphthalene-1-sulfonate","IUPAC Name CAS-like Style":"Disodium;4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]phenyl]phenyl]azo-1-naphthalenesulfonate","IUPAC Name Markup":"Disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate","IUPAC Name Preferred":"Disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate","IUPAC Name Systematic":"Disodium;4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate","IUPAC Name Traditional":"Disodium;4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]phenyl]phenyl]azo-naphthalene-1-sulfonate",InChI:"1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",InChIKey:"IQFVPQOLBLOTPF-UHFFFAOYSA-L","Exact Mass":696.08376337,"Molecular Formula":"C32H22N6Na2O6S2","Molecular Weight":696.7,"Monoisotopic Mass":696.08376337,Charge:0,"Easy Name":"Congo red","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"BROWNISH-RED POWDER; IN WATER YELLOWISH-RED & IN ETHANOL ORANGE"},"Melting Point":{Value:">360 °C"},Odor:{Value:"ODORLESS"},pH:{Value:"SOLN HAVE PH OF 8-9.5"},Solubility:{Value:"Sol in ethanol; very slightly sol in acetone; practically insol in ether"},Uses:{Value:"AS INDICATOR, USUALLY IN 0.1% AQ SOLN FOR EST FREE MINERAL ACIDS, PARTICULARLY IN PRESENCE OF ORGANIC ACIDS; PH: 3.0 BLUE-VIOLET, 5.0 RED; DETECTING & EST FREE HCL IN GASTRIC CONTENTS; DETECTING ACIDITY OF PAPERS; AS ADDITION TO CULTURE MEDIA; ALSO AS REAGENT FOR BITTER-ALMOND WATER, DYE; BIOLOGICAL STAIN"}},ReducedFormula:"C32H22N6Na2O6S2"},11317:{PUBCHEM:{CID:"11317","Compound Complexity":150,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2-dimethylnaphthalene","IUPAC Name CAS-like Style":"1,2-dimethylnaphthalene","IUPAC Name Markup":"1,2-dimethylnaphthalene","IUPAC Name Preferred":"1,2-dimethylnaphthalene","IUPAC Name Systematic":"1,2-dimethylnaphthalene","IUPAC Name Traditional":"1,2-dimethylnaphthalene",InChI:"1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",InChIKey:"QNLZIZAQLLYXTC-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":156.09390039,"Molecular Formula":"C12H12","Molecular Weight":156.22,"Monoisotopic Mass":156.09390039,Charge:0,"Easy Name":"1, 2-dimethylnaphthalene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C12H12"},11327:{PUBCHEM:{CID:"11327","Compound Complexity":150,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3-dimethylnaphthalene","IUPAC Name CAS-like Style":"1,3-dimethylnaphthalene","IUPAC Name Markup":"1,3-dimethylnaphthalene","IUPAC Name Preferred":"1,3-dimethylnaphthalene","IUPAC Name Systematic":"1,3-dimethylnaphthalene","IUPAC Name Traditional":"1,3-dimethylnaphthalene",InChI:"1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3",InChIKey:"QHJMFSMPSZREIF-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":156.09390039,"Molecular Formula":"C12H12","Molecular Weight":156.22,"Monoisotopic Mass":156.09390039,Charge:0,"Easy Name":"1, 3-Dimethylnaphthalene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C12H12"},11328:{PUBCHEM:{CID:"11328","Compound Complexity":150,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,6-dimethylnaphthalene","IUPAC Name CAS-like Style":"1,6-dimethylnaphthalene","IUPAC Name Markup":"1,6-dimethylnaphthalene","IUPAC Name Preferred":"1,6-dimethylnaphthalene","IUPAC Name Systematic":"1,6-dimethylnaphthalene","IUPAC Name Traditional":"1,6-dimethylnaphthalene",InChI:"1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3",InChIKey:"CBMXCNPQDUJNHT-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":156.09390039,"Molecular Formula":"C12H12","Molecular Weight":156.22,"Monoisotopic Mass":156.09390039,Charge:0,"Easy Name":"1, 6-dimethylnaphthalene","Easy Category":"Aromatic hydrocarbons"},HSDB:{"Boiling Point":{Value:"264 °C"},Density:{Value:"1.003 @ 20 °C"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of 1,6-dimethylnaphthalene stem from its toxicologic properties. Toxic primarily via dermal contact and inhalation. Exposure to this substance may occur from its presence as a combustion product of fossil fuels such as coal, gasoline, and heating oil. Effects from exposure include skin irritation and photosensitization. Before implementing land disposal of waste 1,6-dimethylnaphthalene, consult with environmental regulatory agencies for guidance."},"Melting Point":{Value:"-16.9 °C"},"Refractive Index":{Value:"Index of refraction: 1.6166 @ 20 °C/D"},Solubility:{Value:"Insoluble in water; sol in ether and benzene"},"Vapor Pressure":{Value:"1.46X10-2 mm Hg @ 25 °C"}},ReducedFormula:"C12H12"},11333:{PUBCHEM:{CID:"11333","Compound Complexity":395,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)-3-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Markup":"(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Preferred":"(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Systematic":"(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-4,5-bis(oxidanyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Traditional":"(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-dimethylol-tetrahydrofuran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1",InChIKey:"JCQLYHFGKNRPGE-FCVZTGTOSA-N","Log P":-4.3,"Exact Mass":342.11621152,"Molecular Formula":"C12H22O11","Molecular Weight":342.3,"Monoisotopic Mass":342.11621152,Charge:0,"Easy Name":"Lactulose","Easy Category":"Sugar"},HSDB:{},ReducedFormula:"C12H22O11"},11348:{PUBCHEM:{CID:"11348","Compound Complexity":220,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"3,4-dinitrophenol","IUPAC Name CAS-like Style":"3,4-dinitrophenol","IUPAC Name Markup":"3,4-dinitrophenol","IUPAC Name Preferred":"3,4-dinitrophenol","IUPAC Name Systematic":"3,4-dinitrophenol","IUPAC Name Traditional":"3,4-dinitrophenol",InChI:"1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H",InChIKey:"AKLOLDQYWQAREW-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":184.01202124,"Molecular Formula":"C6H4N2O5","Molecular Weight":184.11,"Monoisotopic Mass":184.01202124,Charge:0,"Easy Name":"3, 4-Dinitrophenol","Easy Category":"Nitro compound"},HSDB:{},ReducedFormula:"C6H4N2O5"},11349:{PUBCHEM:{CID:"11349","Compound Complexity":366,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-hydroxy-2-phenyl-chromen-4-one","IUPAC Name CAS-like Style":"3-hydroxy-2-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"3-hydroxy-2-phenylchromen-4-one","IUPAC Name Preferred":"3-hydroxy-2-phenylchromen-4-one","IUPAC Name Systematic":"3-oxidanyl-2-phenyl-chromen-4-one","IUPAC Name Traditional":"3-hydroxy-2-phenyl-chromone",InChI:"1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H",InChIKey:"HVQAJTFOCKOKIN-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":238.06299418,"Molecular Formula":"C15H10O3","Molecular Weight":238.24,"Monoisotopic Mass":238.06299418,Charge:0,"Easy Name":"Flavonol","Easy Category":"Flavonoid"},HSDB:{"Color And Form":{Value:"Yellow needles"},"Melting Point":{Value:"171 to 172 °C"},Solubility:{Value:"Soluble in ethanol"},Uses:{Value:"Plant-derived dye."},"Vapor Pressure":{Value:"2.75X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H10O3"},11357:{PUBCHEM:{CID:"11357","Compound Complexity":80.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-ethylaniline","IUPAC Name CAS-like Style":"2-ethylaniline","IUPAC Name Markup":"2-ethylaniline","IUPAC Name Preferred":"2-ethylaniline","IUPAC Name Systematic":"2-ethylaniline","IUPAC Name Traditional":"(2-ethylphenyl)amine",InChI:"1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3",InChIKey:"MLPVBIWIRCKMJV-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":121.08914936,"Molecular Formula":"C8H11N","Molecular Weight":121.18,"Monoisotopic Mass":121.08914936,Charge:0,"Easy Name":"2-Ethylaniline","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"209.65 °C"},"Color And Form":{Value:"Brown liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 431 °C; critical pressure: 3.74X10+6 Pa"},Density:{Value:"0.982 @ 20 °C"},"Heat Of Vaporization":{Value:"6.257X10+7 J/kmol @ -46.5 °C"},"Melting Point":{Value:"-46.5 °C"},"Refractive Index":{Value:"Index of refraction: 1.5582 @ 22 °C"},Solubility:{Value:"Soluble in alcohol and toluene; insoluble in water"},Uses:{Value:"Intermediate for pharmaceuticals, dyestuffs, pesticides, and other products."},"Vapor Pressure":{Value:"0.170 mm Hg"},Viscosity:{Value:"6.0242X10-2 Pa.s @ -46.5 °C"}},ReducedFormula:"C8H11N1"},11362:{PUBCHEM:{CID:"11362","Compound Complexity":214,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"10-chloro-5H-phenarsazinine","IUPAC Name CAS-like Style":"10-chloro-5H-phenarsazinine","IUPAC Name Markup":"10-chloro-5H-phenarsazinine","IUPAC Name Preferred":"10-chloro-5H-phenarsazinine","IUPAC Name Systematic":"10-chloranyl-5H-phenarsazinine","IUPAC Name Traditional":"10-chloro-5H-phenarsazinine",InChI:"1S/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H",InChIKey:"PBNSPNYJYOYWTA-UHFFFAOYSA-N","Exact Mass":276.963947,"Molecular Formula":"C12H9AsClN","Molecular Weight":277.58,"Monoisotopic Mass":276.963947,Charge:0,"Easy Name":"Adamsite","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"410 °C (decomposes)"},"Color And Form":{Value:"Canary yellow crystals from carbon tetrachloride"},Density:{Value:"1.65"},"Heat Of Vaporization":{Value:"80 °C"},"Melting Point":{Value:"195 °C"},Odor:{Value:"None"},Solubility:{Value:"Practically insoluble in water. Slightly soluble in benzene, xylene and carbon tetrachloride."},Uses:{Value:"War gas. For riot control in combination with tear gas ... . In the formulation of wood treating solutions against marine borers and similar pests."},"Vapor Pressure":{Value:"2X10-13 mm Hg at 20 °C"}},ReducedFormula:"As1C12Cl1H9N1"},11372:{PUBCHEM:{CID:"11372","Compound Complexity":133,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2-bromonaphthalene","IUPAC Name CAS-like Style":"2-bromonaphthalene","IUPAC Name Markup":"2-bromonaphthalene","IUPAC Name Preferred":"2-bromonaphthalene","IUPAC Name Systematic":"2-bromanylnaphthalene","IUPAC Name Traditional":"2-bromonaphthalene",InChI:"1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H",InChIKey:"APSMUYYLXZULMS-UHFFFAOYSA-N","Log P":4.2,"Exact Mass":205.97311,"Molecular Formula":"C10H7Br","Molecular Weight":207.07,"Monoisotopic Mass":205.97311,Charge:0,"Easy Name":"2-Bromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br1C10H7"},11399:{PUBCHEM:{CID:"11399","Compound Complexity":98,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;benzoate","IUPAC Name CAS-like Style":"Potassium;benzoate","IUPAC Name Markup":"Potassium;benzoate","IUPAC Name Preferred":"Potassium;benzoate","IUPAC Name Systematic":"Potassium;benzoate","IUPAC Name Traditional":"Potassium;benzoate",InChI:"1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",InChIKey:"XAEFZNCEHLXOMS-UHFFFAOYSA-M","Exact Mass":159.99266089,"Molecular Formula":"C7H5KO2","Molecular Weight":160.21,"Monoisotopic Mass":159.99266089,Charge:0,"Easy Name":"Potassium benzoate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C7H5K1O2"},11413:{PUBCHEM:{CID:"11413","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;oxalate","IUPAC Name CAS-like Style":"Dipotassium;oxalate","IUPAC Name Markup":"Dipotassium;oxalate","IUPAC Name Preferred":"Dipotassium;oxalate","IUPAC Name Systematic":"Dipotassium;ethanedioate","IUPAC Name Traditional":"Dipotassium;oxalate",InChI:"1S/C2H2O4.2K/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",InChIKey:"IRXRGVFLQOSHOH-UHFFFAOYSA-L","Exact Mass":165.90707145,"Molecular Formula":"C2K2O4","Molecular Weight":166.22,"Monoisotopic Mass":165.90707145,Charge:0,"Easy Name":"Potassium oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2K2O4"},11428:{PUBCHEM:{CID:"11428","Compound Complexity":23.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Pentan-3-ol","IUPAC Name CAS-like Style":"3-pentanol","IUPAC Name Markup":"Pentan-3-ol","IUPAC Name Preferred":"Pentan-3-ol","IUPAC Name Systematic":"Pentan-3-ol","IUPAC Name Traditional":"Pentan-3-ol",InChI:"1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3",InChIKey:"AQIXEPGDORPWBJ-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":88.08881501,"Molecular Formula":"C5H12O","Molecular Weight":88.15,"Monoisotopic Mass":88.08881501,Charge:0,"Easy Name":"3-Pentanol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O1"},11430:{PUBCHEM:{CID:"11430","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;carbonate","IUPAC Name CAS-like Style":"Dipotassium;carbonate","IUPAC Name Markup":"Dipotassium;carbonate","IUPAC Name Preferred":"Dipotassium;carbonate","IUPAC Name Systematic":"Dipotassium;carbonate","IUPAC Name Traditional":"Dipotassium;carbonate",InChI:"1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",InChIKey:"BWHMMNNQKKPAPP-UHFFFAOYSA-L","Exact Mass":137.91215683,"Molecular Formula":"CK2O3","Molecular Weight":138.205,"Monoisotopic Mass":137.91215683,Charge:0,"Easy Name":"Potassium carbonate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes"},"Color And Form":{Value:"Colorless cubic crystals; hygroscopic"},Density:{Value:"2.29 g/cu cm"},"Melting Point":{Value:"899 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH = 11.6 (aqueous solution)"},Solubility:{Value:"Insoluble in alcohol and acetone"},Taste:{Value:"Alkaline taste"},Uses:{Value:"For potassium carbonate (USEPA/OPP Pesticide Code: 073504) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C1K2O3"},11431:{PUBCHEM:{CID:"11431","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);carbonate","IUPAC Name CAS-like Style":"Rubidium(1+);carbonate","IUPAC Name Markup":"Rubidium(1+);carbonate","IUPAC Name Preferred":"Rubidium(1+);carbonate","IUPAC Name Systematic":"Rubidium(1+);carbonate","IUPAC Name Traditional":"Rubidium(1+);carbonate",InChI:"1S/CH2O3.2Rb/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",InChIKey:"WPFGFHJALYCVMO-UHFFFAOYSA-L","Exact Mass":229.8083233,"Molecular Formula":"CO3Rb2","Molecular Weight":230.94,"Monoisotopic Mass":229.8083233,Charge:0,"Easy Name":"Rubidium carbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1O3Rb2"},11451:{PUBCHEM:{CID:"11451","Compound Complexity":215,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"3-hydroxybenzenesulfonic acid","IUPAC Name CAS-like Style":"3-hydroxybenzenesulfonic acid","IUPAC Name Markup":"3-hydroxybenzenesulfonic acid","IUPAC Name Preferred":"3-hydroxybenzenesulfonic acid","IUPAC Name Systematic":"3-oxidanylbenzenesulfonic acid","IUPAC Name Traditional":"3-hydroxybesylic acid",InChI:"1S/C6H6O4S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4,7H,(H,8,9,10)",InChIKey:"ZCLXQTGLKVQKFD-UHFFFAOYSA-N","Log P":.3,"Exact Mass":173.99867985,"Molecular Formula":"C6H6O4S","Molecular Weight":174.18,"Monoisotopic Mass":173.99867985,Charge:0,"Easy Name":"3-Hydroxybenzenesulfonic acid","Easy Category":"Sulfonic acid"},HSDB:{},ReducedFormula:"C6H6O4S1"},11454:{PUBCHEM:{CID:"11454","Compound Complexity":74.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1-bromoethylbenzene","IUPAC Name CAS-like Style":"1-bromoethylbenzene","IUPAC Name Markup":"1-bromoethylbenzene","IUPAC Name Preferred":"1-bromoethylbenzene","IUPAC Name Systematic":"1-bromoethylbenzene","IUPAC Name Traditional":"1-bromoethylbenzene",InChI:"1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3",InChIKey:"CRRUGYDDEMGVDY-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":183.98876,"Molecular Formula":"C8H9Br","Molecular Weight":185.06,"Monoisotopic Mass":183.98876,Charge:0,"Easy Name":" (1-bromoethyl)benzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"94 °C at 16 mm Hg"},Density:{Value:"Density = 1.356"},"Melting Point":{Value:"-65 °C"},"Vapor Density":{Value:"6.4"}},ReducedFormula:"Br1C8H9"},11475:{PUBCHEM:{CID:"11475","Compound Complexity":80.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-ethylaniline","IUPAC 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°C"}},ReducedFormula:"C12H11N1"},11488:{PUBCHEM:{CID:"11488","Compound Complexity":116,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Diphenylmercury","IUPAC Name CAS-like Style":"Diphenylmercury","IUPAC Name Markup":"Diphenylmercury","IUPAC Name Preferred":"Diphenylmercury","IUPAC Name Systematic":"Diphenylmercury","IUPAC Name Traditional":"Diphenylmercury",InChI:"1S/2C6H5.Hg/c2*1-2-4-6-5-3-1;/h2*1-5H;",InChIKey:"HWMTUNCVVYPZHZ-UHFFFAOYSA-N","Exact Mass":356.048894,"Molecular Formula":"C12H10Hg","Molecular Weight":354.8,"Monoisotopic Mass":356.048894,Charge:0,"Easy Name":"Diphenylmercury","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C12H10Hg1"},11502:{PUBCHEM:{CID:"11502","Compound Complexity":149,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Stilbene","IUPAC Name CAS-like Style":"Stilbene","IUPAC Name Markup":"Stilbene","IUPAC Name Preferred":"Stilbene","IUPAC Name 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salt"},HSDB:{},ReducedFormula:"C1K1N1O1"},11543:{PUBCHEM:{CID:"11543","Compound Complexity":48.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-methylpentan-2-ol","IUPAC Name CAS-like Style":"2-methyl-2-pentanol","IUPAC Name Markup":"2-methylpentan-2-ol","IUPAC Name Preferred":"2-methylpentan-2-ol","IUPAC Name Systematic":"2-methylpentan-2-ol","IUPAC Name Traditional":"2-methylpentan-2-ol",InChI:"1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3",InChIKey:"WFRBDWRZVBPBDO-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":102.10446507,"Molecular Formula":"C6H14O","Molecular Weight":102.17,"Monoisotopic Mass":102.10446507,Charge:0,"Easy Name":"2-Methyl-2-pentanol","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C6H14O1"},11552:{PUBCHEM:{CID:"11552","Compound Complexity":39.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3-methylbutanal","IUPAC Name CAS-like Style":"3-methylbutanal","IUPAC Name Markup":"3-methylbutanal","IUPAC Name Preferred":"3-methylbutanal","IUPAC Name Systematic":"3-methylbutanal","IUPAC Name Traditional":"3-methylbutyraldehyde",InChI:"1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3",InChIKey:"YGHRJJRRZDOVPD-UHFFFAOYSA-N","Log P":1,"Exact Mass":86.073164942,"Molecular Formula":"C5H10O","Molecular Weight":86.13,"Monoisotopic Mass":86.073164942,Charge:0,"Easy Name":"Isovalerylaldehyde","Easy Category":"Aldehyde"},HSDB:{"Boiling Point":{Value:"92.5 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.7977 g/cu cm at 20 °C"},"Melting Point":{Value:"-51 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Apple-like odor"},"Refractive Index":{Value:"Index of refraction: 1.3902 at 20 °C/D"},Solubility:{Value:"Slightly soluble in water; soluble in ethanol, ethyl ether"},Taste:{Value:"AT VERY LOW LEVELS THE FLAVOR IS WARM, HERBACEOUS, SLIGHTLY FRUIT, AND NUT-LIKE"},Uses:{Value:"Reported uses (PPM): (FEMA, 2005)"},"Vapor Density":{Value:"2.96 (Air = 1)"},"Vapor Pressure":{Value:"50 mm Hg at approx 25 °C"},Viscosity:{Value:"0.58 mPa.S at 20 °C"}},ReducedFormula:"C5H10O1"},11563:{PUBCHEM:{CID:"11563","Compound Complexity":74.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"3-bromophenol","IUPAC Name CAS-like Style":"3-bromophenol","IUPAC Name Markup":"3-bromophenol","IUPAC Name Preferred":"3-bromophenol","IUPAC Name Systematic":"3-bromanylphenol","IUPAC Name Traditional":"3-bromophenol",InChI:"1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H",InChIKey:"MNOJRWOWILAHAV-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":171.95238,"Molecular Formula":"C6H5BrO","Molecular Weight":173.01,"Monoisotopic Mass":171.95238,Charge:0,"Easy Name":"3-bromophenol","Easy Category":"Phenols"},HSDB:{"Boiling Point":{Value:"236.5 °C"},"Color And Form":{Value:"Crystals"},"Melting Point":{Value:"33 °C"},Solubility:{Value:"Slightly soluble in carbon tetrachloride; soluble in chloroform, alkali; very soluble in ethanol, ether"},"Vapor Pressure":{Value:"3.73X10-2 mm Hg at 25 °C (est)"}},ReducedFormula:"Br1C6H5O1"},11579:{PUBCHEM:{CID:"11579","Compound Complexity":106,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"4-oxopentanoic acid","IUPAC Name CAS-like Style":"4-oxopentanoic acid","IUPAC Name Markup":"4-oxopentanoic acid","IUPAC Name Preferred":"4-oxopentanoic acid","IUPAC Name Systematic":"4-oxidanylidenepentanoic acid","IUPAC Name Traditional":"4-ketovaleric acid",InChI:"1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)",InChIKey:"JOOXCMJARBKPKM-UHFFFAOYSA-N","Log P":-.5,"Exact Mass":116.047344117,"Molecular Formula":"C5H8O3","Molecular Weight":116.11,"Monoisotopic Mass":116.047344117,Charge:0,"Easy Name":"Levulinic acid","Easy Category":"Keto acids"},HSDB:{},ReducedFormula:"C5H8O3"},11582:{PUBCHEM:{CID:"11582","Compound Complexity":29,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2-methylhexane","IUPAC Name CAS-like Style":"2-methylhexane","IUPAC Name Markup":"2-methylhexane","IUPAC Name Preferred":"2-methylhexane","IUPAC Name Systematic":"2-methylhexane","IUPAC Name Traditional":"2-methylhexane",InChI:"1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3",InChIKey:"GXDHCNNESPLIKD-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":100.12520052,"Molecular Formula":"C7H16","Molecular Weight":100.2,"Monoisotopic Mass":100.12520052,Charge:0,"Easy Name":"2-Methylhexane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C7H16"},11590:{PUBCHEM:{CID:"11590","Compound Complexity":31.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dicyanide","IUPAC Name CAS-like Style":"Calcium;dicyanide","IUPAC Name Markup":"Calcium;dicyanide","IUPAC Name Preferred":"Calcium;dicyanide","IUPAC Name Systematic":"Calcium;dicyanide","IUPAC Name Traditional":"Calcium;dicyanide",InChI:"1S/2CN.Ca/c2*1-2;/q2*-1;+2",InChIKey:"ZQULWKDLLXZZSP-UHFFFAOYSA-N","Exact Mass":91.9687389,"Molecular 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Preferred":"2-methylheptane","IUPAC Name Systematic":"2-methylheptane","IUPAC Name Traditional":"2-methylheptane",InChI:"1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3",InChIKey:"JVSWJIKNEAIKJW-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":114.14085058,"Molecular Formula":"C8H18","Molecular Weight":114.23,"Monoisotopic Mass":114.14085058,Charge:0,"Easy Name":"2-Methylheptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C8H18"},11597:{PUBCHEM:{CID:"11597","Compound Complexity":29,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hex-1-ene","IUPAC Name CAS-like Style":"1-hexene","IUPAC Name Markup":"Hex-1-ene","IUPAC Name Preferred":"Hex-1-ene","IUPAC Name Systematic":"Hex-1-ene","IUPAC Name Traditional":"Hex-1-ene",InChI:"1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",InChIKey:"LIKMAJRDDDTEIG-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":84.09390039,"Molecular Formula":"C6H12","Molecular Weight":84.16,"Monoisotopic Mass":84.09390039,Charge:0,"Easy Name":"1-Hexene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"63.4 °C @ 760 mm Hg"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.6731 @ 20 °C/4 °C"},"Melting Point":{Value:"-139.7 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},"Refractive Index":{Value:"Index of refraction: 1.3837 at 20 °C/D"},Solubility:{Value:"Very sol in ethanol, ethyl ether, benzene, and petroleum ether"},Uses:{Value:"IN LINEAR ALPHA-OLEFIN MIXT FOR PRODN OF PRIMARY ALCOHOLS; COMONOMER FOR HIGH DENSITY POLYETHYLENE"},"Vapor Density":{Value:"3.0 (Air= 1)"},"Vapor Pressure":{Value:"183.7 mm Hg at 25 °C"},Viscosity:{Value:"0.39 sq mm/s"}},ReducedFormula:"C6H12"},11605:{PUBCHEM:{CID:"11605","Compound Complexity":66,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclohexa-1,3-diene","IUPAC Name CAS-like Style":"Cyclohexa-1,3-diene","IUPAC Name Markup":"Cyclohexa-1,3-diene","IUPAC Name Preferred":"Cyclohexa-1,3-diene","IUPAC Name Systematic":"Cyclohexa-1,3-diene","IUPAC Name Traditional":"Cyclohexa-1,3-diene",InChI:"1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2",InChIKey:"MGNZXYYWBUKAII-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":80.062600258,"Molecular Formula":"C6H8","Molecular Weight":80.13,"Monoisotopic Mass":80.062600258,Charge:0,"Easy Name":"1, 3-Cyclohexadiene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C6H8"},11610:{PUBCHEM:{CID:"11610","Compound Complexity":37.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Hept-1-ene","IUPAC Name CAS-like Style":"1-heptene","IUPAC Name Markup":"Hept-1-ene","IUPAC Name Preferred":"Hept-1-ene","IUPAC Name Systematic":"Hept-1-ene","IUPAC Name Traditional":"Hept-1-ene",InChI:"1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3",InChIKey:"ZGEGCLOFRBLKSE-UHFFFAOYSA-N","Log P":4,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"Heptene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"93.6 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.6970 @ 20 °C/4 °C"},"Melting Point":{Value:"-119.7 °C"},"NFPA Hazard Classification":{Value:"0-3-0"},"Refractive Index":{Value:"Index of refraction: 1.3994 @ 20 °C"},Solubility:{Value:"Soluble in ethanol and ether; slightly soluble in carbon tetrachloride"},Uses:{Value:"Organic synthesis"},"Vapor Density":{Value:"0.7 (AIR= 1)"},"Vapor Pressure":{Value:"59.3 mm Hg @ 25 °C"},Viscosity:{Value:"0.5 sq mm/s"}},ReducedFormula:"C7H14"},11611:{PUBCHEM:{CID:"11611","Compound Complexity":44,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hept-2-ene","IUPAC Name CAS-like Style":"2-heptene","IUPAC Name Markup":"Hept-2-ene","IUPAC Name Preferred":"Hept-2-ene","IUPAC Name Systematic":"Hept-2-ene","IUPAC Name Traditional":"Hept-2-ene",InChI:"1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3",InChIKey:"OTTZHAVKAVGASB-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"2-Heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},11612:{PUBCHEM:{CID:"11612","Compound Complexity":44,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hept-3-ene","IUPAC Name CAS-like Style":"3-heptene","IUPAC Name Markup":"Hept-3-ene","IUPAC Name Preferred":"Hept-3-ene","IUPAC Name Systematic":"Hept-3-ene","IUPAC Name Traditional":"Hept-3-ene",InChI:"1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3",InChIKey:"WZHKDGJSXCTSCK-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"3-Heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},11614:{PUBCHEM:{CID:"11614","Compound Complexity":43.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Butyl formate","IUPAC Name CAS-like Style":"Formic acid butyl ester","IUPAC Name Markup":"Butyl formate","IUPAC Name Preferred":"Butyl formate","IUPAC Name Systematic":"Butyl methanoate","IUPAC Name Traditional":"Formic acid butyl ester",InChI:"1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3",InChIKey:"NMJJFJNHVMGPGM-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"Butyl formate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C5H10O2"},11616:{PUBCHEM:{CID:"11616","Compound Complexity":31.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Plumbous;dithiocyanate","IUPAC Name CAS-like Style":"Lead(2+);dithiocyanate","IUPAC Name Markup":"Lead(2+);dithiocyanate","IUPAC Name Preferred":"Lead(2+);dithiocyanate","IUPAC Name Systematic":"Lead(2+);dithiocyanate","IUPAC Name Traditional":"Plumbous;dithiocyanate",InChI:"1S/2CHNS.Pb/c2*2-1-3;/h2*3H;/q;;+2/p-2",InChIKey:"VRNINGUKUJWZTH-UHFFFAOYSA-L","Exact Mass":323.92694,"Molecular Formula":"C2N2PbS2","Molecular Weight":323,"Monoisotopic Mass":323.92694,Charge:0,"Easy Name":"Lead (II) thiocyanate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White or light yellow crystalline powder"},Density:{Value:"3.82 at 20 °C"},"Melting Point":{Value:"190 °C, DECOMPOSES"},Odor:{Value:"Odorless"},Solubility:{Value:"0.05 g/100 cc water at 20 °C"},Uses:{Value:"Reverse dyeing with aniline black; manufacture of safety matches and cartridges[The Merck Index, Fourteenth Edition (2006)"}},ReducedFormula:"C2N2Pb1S2"},11635:{PUBCHEM:{CID:"11635","Compound Complexity":112,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":15,"IUPAC Name Allowed":"Octadecane","IUPAC Name CAS-like Style":"Octadecane","IUPAC Name Markup":"Octadecane","IUPAC Name Preferred":"Octadecane","IUPAC Name Systematic":"Octadecane","IUPAC Name Traditional":"Octadecane",InChI:"1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",InChIKey:"RZJRJXONCZWCBN-UHFFFAOYSA-N","Log P":9.3,"Exact Mass":254.29735123,"Molecular Formula":"C18H38","Molecular Weight":254.5,"Monoisotopic Mass":254.29735123,Charge:0,"Easy Name":"Octadecane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"316 °C"},"Color And Form":{Value:"Needles from alcohol, ether-methanol"},Density:{Value:"0.7768 g/cu cm at 28 °C"},"Melting Point":{Value:"28.17 °C"},Odor:{Value:"Fuel-like"},"Refractive Index":{Value:"Index of refraction = 1.4390 at 20 °C"},Solubility:{Value:"In water, 6.00X10-3 mg/L at 25 °C"},"Vapor Pressure":{Value:"3.41X10-4 mm Hg at 25 °C"}},ReducedFormula:"C18H38"},11638:{PUBCHEM:{CID:"11638","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Fluoromethane","IUPAC Name CAS-like Style":"Fluoromethane","IUPAC Name Markup":"Fluoromethane","IUPAC Name Preferred":"Fluoromethane","IUPAC Name Systematic":"Fluoranylmethane","IUPAC Name Traditional":"Fluoromethane",InChI:"1S/CH3F/c1-2/h1H3",InChIKey:"NBVXSUQYWXRMNV-UHFFFAOYSA-N","Log P":.6,"Exact Mass":34.02187826,"Molecular Formula":"CH3F","Molecular Weight":34.033,"Monoisotopic Mass":34.02187826,Charge:0,"Easy Name":"Fluoromethane","Easy Category":"Organofluorides"},HSDB:{},ReducedFormula:"C1F1H3"},11645:{PUBCHEM:{CID:"11645","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dimethylmercury","IUPAC Name CAS-like Style":"Dimethylmercury","IUPAC Name Markup":"Dimethylmercury","IUPAC Name Preferred":"Dimethylmercury","IUPAC Name Systematic":"Dimethylmercury","IUPAC Name Traditional":"Dimethylmercury",InChI:"1S/2CH3.Hg/h2*1H3;",InChIKey:"ATZBPOVXVPIOMR-UHFFFAOYSA-N","Exact Mass":232.017594,"Molecular Formula":"C2H6Hg","Molecular Weight":230.66,"Monoisotopic Mass":232.017594,Charge:0,"Easy Name":"Dimethylmercury","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C2H6Hg1"},11657:{PUBCHEM:{CID:"11657","Compound Complexity":19.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Methylcyclopropane","IUPAC Name CAS-like Style":"Methylcyclopropane","IUPAC Name Markup":"Methylcyclopropane","IUPAC Name Preferred":"Methylcyclopropane","IUPAC Name Systematic":"Methylcyclopropane","IUPAC Name Traditional":"Methylcyclopropane",InChI:"1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3",InChIKey:"VNXBKJFUJUWOCW-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":56.062600258,"Molecular Formula":"C4H8","Molecular Weight":56.11,"Monoisotopic Mass":56.062600258,Charge:0,"Easy Name":"Methylcyclopropane","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C4H8"},11658:{PUBCHEM:{CID:"11658","Compound Complexity":27.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,2-dibromopropane","IUPAC Name CAS-like Style":"2,2-dibromopropane","IUPAC Name Markup":"2,2-dibromopropane","IUPAC Name Preferred":"2,2-dibromopropane","IUPAC Name Systematic":"2,2-bis(bromanyl)propane","IUPAC Name Traditional":"2,2-dibromopropane",InChI:"1S/C3H6Br2/c1-3(2,4)5/h1-2H3",InChIKey:"ARITXYXYCOZKMU-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":201.88158,"Molecular Formula":"C3H6Br2","Molecular Weight":201.89,"Monoisotopic Mass":199.88363,Charge:0,"Easy Name":"2, 2-Dibromopropane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C3H6"},11660:{PUBCHEM:{CID:"11660","Compound Complexity":27.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,2-dichloropropane","IUPAC Name CAS-like Style":"2,2-dichloropropane","IUPAC Name Markup":"2,2-dichloropropane","IUPAC Name Preferred":"2,2-dichloropropane","IUPAC Name Systematic":"2,2-bis(chloranyl)propane","IUPAC Name Traditional":"2,2-dichloropropane",InChI:"1S/C3H6Cl2/c1-3(2,4)5/h1-2H3",InChIKey:"ZEOVXNVKXIPWMS-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":111.9846556,"Molecular Formula":"C3H6Cl2","Molecular Weight":112.98,"Monoisotopic Mass":111.9846556,Charge:0,"Easy Name":"2, 2-dichloropropane","Easy Category":"Organochlorides"},HSDB:{},ReducedFormula:"C3Cl2H6"},11661:{PUBCHEM:{CID:"11661","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetramethylstannane","IUPAC Name CAS-like Style":"Tetramethylstannane","IUPAC Name Markup":"Tetramethylstannane","IUPAC Name Preferred":"Tetramethylstannane","IUPAC Name Systematic":"Tetramethylstannane","IUPAC Name Traditional":"Tetramethylstannane",InChI:"1S/4CH3.Sn/h4*1H3;",InChIKey:"VXKWYPOMXBVZSJ-UHFFFAOYSA-N","Exact Mass":179.996102,"Molecular Formula":"C4H12Sn","Molecular Weight":178.85,"Monoisotopic Mass":179.996102,Charge:0,"Easy Name":"Tetramethyltin","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C4H12Sn1"},11662:{PUBCHEM:{CID:"11662","Compound Complexity":285,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Dichloro(triphenyl)-lambda5-stibane","IUPAC Name CAS-like Style":"Dichloro(triphenyl)stiborane","IUPAC Name Markup":"Dichloro(triphenyl)-λ5-stibane","IUPAC Name Preferred":"Dichloro(triphenyl)-lambda5-stibane","IUPAC Name Systematic":"Bis(chloranyl)-triphenyl-lambda5-stibane","IUPAC Name Traditional":"Dichloro(triphenyl)stiborane",InChI:"1S/3C6H5.2ClH.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q;;;;;+2/p-2",InChIKey:"PDGPVQHGCLPCES-UHFFFAOYSA-L","Exact Mass":421.95889,"Molecular Formula":"C18H15Cl2Sb","Molecular Weight":424,"Monoisotopic Mass":421.95889,Charge:0,"Easy Name":"Triphenylantimony dichloride","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C18Cl2H15Sb1"},11663:{PUBCHEM:{CID:"11663","Compound Complexity":32.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1,1-dibromo-2-methyl-propane","IUPAC Name CAS-like Style":"1,1-dibromo-2-methylpropane","IUPAC Name Markup":"1,1-dibromo-2-methylpropane","IUPAC Name Preferred":"1,1-dibromo-2-methylpropane","IUPAC Name Systematic":"1,1-bis(bromanyl)-2-methyl-propane","IUPAC Name Traditional":"1,1-dibromo-2-methyl-propane",InChI:"1S/C4H8Br2/c1-3(2)4(5)6/h3-4H,1-2H3",InChIKey:"FGOANQWFWXSPKL-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":215.89723,"Molecular Formula":"C4H8Br2","Molecular Weight":215.91,"Monoisotopic Mass":213.89928,Charge:0,"Easy Name":"1, 1-Dibromo-2-methylpropane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C4H8"},11676:{PUBCHEM:{CID:"11676","Compound Complexity":76.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3,3-trimethylbutan-2-ol","IUPAC Name CAS-like Style":"2,3,3-trimethyl-2-butanol","IUPAC Name Markup":"2,3,3-trimethylbutan-2-ol","IUPAC Name Preferred":"2,3,3-trimethylbutan-2-ol","IUPAC Name Systematic":"2,3,3-trimethylbutan-2-ol","IUPAC Name Traditional":"2,3,3-trimethylbutan-2-ol",InChI:"1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3",InChIKey:"OKXVARYIKDXAEO-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":116.12011514,"Molecular Formula":"C7H16O","Molecular Weight":116.2,"Monoisotopic Mass":116.12011514,Charge:0,"Easy Name":"2, 3, 3-trimethylbutan-2-ol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C7H16O1"},11721:{PUBCHEM:{CID:"11721","Compound Complexity":17.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-methoxypropane","IUPAC Name CAS-like Style":"2-methoxypropane","IUPAC Name Markup":"2-methoxypropane","IUPAC Name Preferred":"2-methoxypropane","IUPAC Name Systematic":"2-methoxypropane","IUPAC Name Traditional":"2-methoxypropane",InChI:"1S/C4H10O/c1-4(2)5-3/h4H,1-3H3",InChIKey:"RMGHERXMTMUMMV-UHFFFAOYSA-N","Log P":.9,"Exact Mass":74.073164942,"Molecular Formula":"C4H10O","Molecular Weight":74.12,"Monoisotopic Mass":74.073164942,Charge:0,"Easy Name":"2-methoxypropane","Easy Category":"Ether"},HSDB:{},ReducedFormula:"C4H10O1"},11726:{PUBCHEM:{CID:"11726","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Manganous;carbonate","IUPAC Name CAS-like Style":"Manganese(2+);carbonate","IUPAC Name Markup":"Manganese(2+);carbonate","IUPAC Name Preferred":"Manganese(2+);carbonate","IUPAC Name Systematic":"Manganese(2+);carbonate","IUPAC Name Traditional":"Manganous;carbonate",InChI:"1S/CH2O3.Mn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"XMWCXZJXESXBBY-UHFFFAOYSA-L","Exact Mass":114.922787,"Molecular Formula":"CMnO3","Molecular Weight":114.947,"Monoisotopic Mass":114.922787,Charge:0,"Easy Name":"Manganese (II) carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Pink to almost white powder when freshly precipitated; rhombohedral, calcite structure"},Density:{Value:"3.7"},"Melting Point":{Value:"Decomposes >200 °C"},Solubility:{Value:"Sol in dil acid; insol in water or alcohol"},Uses:{Value:'As pigment ("Manganese White"); drier for varnishes; in feeds'}},ReducedFormula:"C1Mn1O3"},11727:{PUBCHEM:{CID:"11727","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Plumbous;carbonate","IUPAC Name CAS-like Style":"Lead(2+);carbonate","IUPAC Name Markup":"Lead(2+);carbonate","IUPAC Name Preferred":"Lead(2+);carbonate","IUPAC Name Systematic":"Lead(2+);carbonate","IUPAC Name Traditional":"Plumbous;carbonate",InChI:"1S/CH2O3.Pb/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"MFEVGQHCNVXMER-UHFFFAOYSA-L","Exact Mass":267.9614,"Molecular Formula":"CO3Pb","Molecular Weight":267,"Monoisotopic Mass":267.9614,Charge:0,"Easy Name":"Lead carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless, rhombic crystals"},Density:{Value:"6.582 g/cu cm"},"Melting Point":{Value:"315 °C, decomposes"},"Refractive Index":{Value:"Index of refraction: 1.804, 2.076, 2.078"},Solubility:{Value:"Sol in acids and alkalies; insoluble in alcohol and ammonia"},Uses:{Value:"Catalyzes the polymerization of formaldehyde to high molecular weight crystalline poly(oxymethylene) products; used in poly(vinyl chloride) friction liners for pulleys on drive cables of hoisting engines; to improve the bond of polychloroprene to metals in wire-reinforced hoses, 10-25 parts of lead carbonate are used in the elastomer; used as a component of high pressure lubricating greases, as a catalyst in the curing of moldable thermosetting silicone resins, as a coating on vinyl chloride polymers to improve their dielectric properties, as a component of corrosion-resistant, dispersion-strengthened grids in lead-acid storage batteries, as a photoconductor for electrophotography, as a coating on heat-sensitive sheets for thermographic copying, as a component of a lubricant-stabilizer for poly(vinyl chloride), as a component in the manufacture of thermistors, and as a component in slip-preventing waxes for steel cables to provide higher wear resistance."}},ReducedFormula:"C1O3Pb1"},11732:{PUBCHEM:{CID:"11732","Compound Complexity":32.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-methylbutan-2-ol","IUPAC Name CAS-like Style":"3-methyl-2-butanol","IUPAC Name Markup":"3-methylbutan-2-ol","IUPAC Name Preferred":"3-methylbutan-2-ol","IUPAC Name Systematic":"3-methylbutan-2-ol","IUPAC Name Traditional":"3-methylbutan-2-ol",InChI:"1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3",InChIKey:"MXLMTQWGSQIYOW-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":88.08881501,"Molecular Formula":"C5H12O","Molecular Weight":88.15,"Monoisotopic Mass":88.08881501,Charge:0,"Easy Name":"3-Methyl-2-butanol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O1"},11733:{PUBCHEM:{CID:"11733","Compound Complexity":35,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1,1,2-trichloropropane","IUPAC Name CAS-like Style":"1,1,2-trichloropropane","IUPAC Name Markup":"1,1,2-trichloropropane","IUPAC Name Preferred":"1,1,2-trichloropropane","IUPAC Name Systematic":"1,1,2-tris(chloranyl)propane","IUPAC Name Traditional":"1,1,2-trichloropropane",InChI:"1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3",InChIKey:"GRSQYISVQKPZCW-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":145.945683,"Molecular Formula":"C3H5Cl3","Molecular Weight":147.43,"Monoisotopic Mass":145.945683,Charge:0,"Easy Name":"1, 1, 2-trichloropropane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3Cl3H5"},11734:{PUBCHEM:{CID:"11734","Compound Complexity":61.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-chloropropanoic acid","IUPAC Name CAS-like Style":"2-chloropropanoic acid","IUPAC Name Markup":"2-chloropropanoic acid","IUPAC Name Preferred":"2-chloropropanoic acid","IUPAC Name Systematic":"2-chloranylpropanoic acid","IUPAC Name Traditional":"2-chloropropionic acid",InChI:"1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)",InChIKey:"GAWAYYRQGQZKCR-UHFFFAOYSA-N","Log P":.8,"Exact Mass":107.9978071,"Molecular Formula":"C3H5ClO2","Molecular Weight":108.52,"Monoisotopic Mass":107.9978071,Charge:0,"Easy Name":"2-Chloropropionic acid","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"186 °C"},"Color And Form":{Value:"CRYSTALS"},Density:{Value:"1.2585 @ 20 °C/4 °C"},"Melting Point":{Value:"-12.1 °C"},"NFPA Hazard Classification":{Value:"0-1-0"},Odor:{Value:"Pungent"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4380 @ 20 °C/D"},Solubility:{Value:"SOL IN ALL PROP IN WATER, ALC, ETHER; SOL IN ACETONE"},Uses:{Value:"INTERMEDIATE FOR WEED KILLERS"},"Vapor Pressure":{Value:"0.13 torr @ 20 °C"}},ReducedFormula:"C3Cl1H5O2"},11747:{PUBCHEM:{CID:"11747","Compound Complexity":94.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Pentane-2,3-dione","IUPAC Name CAS-like Style":"Pentane-2,3-dione","IUPAC Name Markup":"Pentane-2,3-dione","IUPAC Name Preferred":"Pentane-2,3-dione","IUPAC Name Systematic":"Pentane-2,3-dione","IUPAC Name Traditional":"Pentane-2,3-dione",InChI:"1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",InChIKey:"TZMFJUDUGYTVRY-UHFFFAOYSA-N","Log P":.1,"Exact Mass":100.052429497,"Molecular Formula":"C5H8O2","Molecular Weight":100.12,"Monoisotopic Mass":100.052429497,Charge:0,"Easy Name":"Acetylpropionyl","Easy Category":"Ketone"},HSDB:{"Boiling Point":{Value:"109.9 °C"},"Color And Form":{Value:"Yellow liquid"},"Critical Temperature And Pressure":{Value:"0.955-0.959 (15/4 °C)"},"Melting Point":{Value:"-52 °C"},Odor:{Value:"Somewhat sweet odor similar to quinone ... Detection: 20 ppb. Aroma characteristics at 1.0%: buttery diacytl-like, fermented dairy and creamy, popcorn buttery"},"Refractive Index":{Value:"Index of refraction: 1.4014 at 19 °C"},Solubility:{Value:"In water, 6.67X10+4 at 15 °C"},Taste:{Value:"Penetrating buttery taste on dilution...Taste characteristics at 1 to 5 ppm: sweet buttery, creamy, cheesy, slightly toasted dairy, with a rich baked goods nuance and good mouth feel"},"Vapor Pressure":{Value:"2.67 kPa at 20 °C /20.0 mm Hg at 20 °C/"}},ReducedFormula:"C5H8O2"},11775:{PUBCHEM:{CID:"11775","Compound Complexity":202,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"N,N-diphenylaniline","IUPAC Name CAS-like Style":"N,N-diphenylaniline","IUPAC Name Markup":"N,N-diphenylaniline","IUPAC Name Preferred":"N,N-diphenylaniline","IUPAC Name Systematic":"N,N-diphenylaniline","IUPAC Name Traditional":"Triphenylamine",InChI:"1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",InChIKey:"ODHXBMXNKOYIBV-UHFFFAOYSA-N","Log P":5.7,"Exact Mass":245.12044949,"Molecular Formula":"C18H15N","Molecular Weight":245.3,"Monoisotopic Mass":245.12044949,Charge:0,"Easy Name":"Triphenylamine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"365 °C"},"Color And Form":{Value:"MONOCLINIC CRYSTALS FROM METHANOL, ETHYL ACETATE, BENZENE"},Density:{Value:"0.774 @ 0 °C/0 °C"},"Melting Point":{Value:"127 °C"},"Refractive Index":{Value:"Index of refraction= 1.353 @ 16 °C/D"},Solubility:{Value:"Insoluble in water, slightly soluble in ethanol, and soluble in ethyl ether and benzene"},Uses:{Value:"Coated on film bases as primary photoconductor"},"Vapor Pressure":{Value:"3.92X10-4 mm Hg @ 25 °C"}},ReducedFormula:"C18H15N1"},11776:{PUBCHEM:{CID:"11776","Compound Complexity":202,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Triphenylphosphane","IUPAC Name CAS-like Style":"Triphenylphosphine","IUPAC Name Markup":"Triphenylphosphane","IUPAC Name Preferred":"Triphenylphosphane","IUPAC Name Systematic":"Triphenylphosphane","IUPAC Name Traditional":"Triphenylphosphine",InChI:"1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",InChIKey:"RIOQSEWOXXDEQQ-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":262.09113748,"Molecular Formula":"C18H15P","Molecular Weight":262.3,"Monoisotopic Mass":262.09113748,Charge:0,"Easy Name":"Triphenylphosphine","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"MORE THAN 360 °C"},"Color And Form":{Value:"MONOCLINIC PLATELETS OR PRISMS FROM ETHER"},Density:{Value:"1.075 @ 80 °C/4 °C"},"Melting Point":{Value:"80.5 °C"},"NFPA Hazard Classification":{Value:"0-1-0"},Odor:{Value:"ODORLESS"},"Refractive Index":{Value:"MAX ABSORPTION (DILUTED ALCOHOL): 260 NM (LOG E= 4.0); INDEX OF REFRACTION: 1.6358 @ 80 °C/D"},Solubility:{Value:"FREELY SOL IN ETHER; SOL IN BENZENE, CHLOROFORM, GLACIAL ACETIC ACID; LESS SOL IN ALCOHOL; PRACTICALLY INSOL IN WATER"},Uses:{Value:"ORGANIC SYNTHESIS; POLYMERIZATION INITIATOR"}},ReducedFormula:"C18H15P1"},11777:{PUBCHEM:{CID:"11777","Compound Complexity":202,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Triphenylstibane","IUPAC Name CAS-like Style":"Triphenylstibine","IUPAC Name Markup":"Triphenylstibane","IUPAC Name Preferred":"Triphenylstibane","IUPAC Name Systematic":"Triphenylstibane","IUPAC Name Traditional":"Triphenylstibine",InChI:"1S/3C6H5.Sb/c3*1-2-4-6-5-3-1;/h3*1-5H;",InChIKey:"HVYVMSPIJIWUNA-UHFFFAOYSA-N","Exact Mass":352.02119,"Molecular Formula":"C18H15Sb","Molecular Weight":353.1,"Monoisotopic Mass":352.02119,Charge:0,"Easy Name":"Triphenylstibine","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C18H15Sb1"},11782:{PUBCHEM:{CID:"11782","Compound Complexity":154,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3-dimethylbenzoic acid","IUPAC Name CAS-like Style":"2,3-dimethylbenzoic acid","IUPAC Name Markup":"2,3-dimethylbenzoic acid","IUPAC Name Preferred":"2,3-dimethylbenzoic acid","IUPAC Name Systematic":"2,3-dimethylbenzoic acid","IUPAC Name Traditional":"Hemellitic acid",InChI:"1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)",InChIKey:"RIZUCYSQUWMQLX-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":150.068079562,"Molecular Formula":"C9H10O2","Molecular Weight":150.17,"Monoisotopic Mass":150.068079562,Charge:0,"Easy Name":"Hemellitic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H10O2"},11815:{PUBCHEM:{CID:"11815","Compound Complexity":186,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Indane-1,3-dione","IUPAC Name CAS-like Style":"Indene-1,3-dione","IUPAC Name Markup":"Indene-1,3-dione","IUPAC Name Preferred":"Indene-1,3-dione","IUPAC Name Systematic":"Indene-1,3-dione","IUPAC Name Traditional":"Indane-1,3-quinone",InChI:"1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2",InChIKey:"UHKAJLSKXBADFT-UHFFFAOYSA-N","Log P":.6,"Exact Mass":146.036779433,"Molecular Formula":"C9H6O2","Molecular Weight":146.14,"Monoisotopic Mass":146.036779433,Charge:0,"Easy Name":"1, 3-Indandione","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H6O2"},11847:{PUBCHEM:{CID:"11847","Compound Complexity":87.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2,6-dibromophenol","IUPAC Name CAS-like Style":"2,6-dibromophenol","IUPAC Name Markup":"2,6-dibromophenol","IUPAC Name Preferred":"2,6-dibromophenol","IUPAC Name Systematic":"2,6-bis(bromanyl)phenol","IUPAC Name Traditional":"2,6-dibromophenol",InChI:"1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H",InChIKey:"SSIZLKDLDKIHEV-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":251.86084,"Molecular Formula":"C6H4Br2O","Molecular Weight":251.9,"Monoisotopic Mass":249.86289,Charge:0,"Easy Name":"2, 6-dibromophenol","Easy Category":"Organobromides"},HSDB:{"Boiling Point":{Value:"255 °C; 162 °C at 21 mm Hg"},"Color And Form":{Value:"Needles from water"},"Melting Point":{Value:"56.5 °C"},Solubility:{Value:"Very soluble in ethanol, ether"},"Vapor Pressure":{Value:"1.34X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"Br2C6H4O1"},11850:{PUBCHEM:{CID:"11850","Compound Complexity":105,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":6,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol","IUPAC Name CAS-like Style":"(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol","IUPAC Name Markup":"(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol","IUPAC Name Preferred":"(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol","IUPAC Name Systematic":"(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol","IUPAC Name Traditional":"(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol",InChI:"1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",InChIKey:"FBPFZTCFMRRESA-GUCUJZIJSA-N","Log P":-3.1,"Exact Mass":182.07903817,"Molecular Formula":"C6H14O6","Molecular Weight":182.17,"Monoisotopic Mass":182.07903817,Charge:0,"Easy Name":"Galactitol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C6H14O6"},11852:{PUBCHEM:{CID:"11852","Compound Complexity":150,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2,3,4,5,6-pentabromophenol","IUPAC Name CAS-like Style":"2,3,4,5,6-pentabromophenol","IUPAC Name Markup":"2,3,4,5,6-pentabromophenol","IUPAC Name Preferred":"2,3,4,5,6-pentabromophenol","IUPAC Name Systematic":"2,3,4,5,6-pentakis(bromanyl)phenol","IUPAC Name Traditional":"2,3,4,5,6-pentabromophenol",InChI:"1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H",InChIKey:"SVHOVVJFOWGYJO-UHFFFAOYSA-N","Log P":5,"Exact Mass":487.59033,"Molecular Formula":"C6HBr5O","Molecular Weight":488.59,"Monoisotopic Mass":483.59443,Charge:0,"Easy Name":"Pentabromophenol","Easy Category":"Phenols"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"Monoclinic prisms from acetic acid; needles from alcohol"},"Melting Point":{Value:"229.5 °C"},Solubility:{Value:"Soluble in ethanol, benzene, acetic acid; slightly soluble in ether"},Uses:{Value:"Flame retardant"},"Vapor Pressure":{Value:"3.85X10-7 mm Hg at 25 °C (est)"}},ReducedFormula:"Br5C6H1O1"},11892:{PUBCHEM:{CID:"11892","Compound Complexity":154,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,5-dimethylbenzoic acid","IUPAC Name CAS-like Style":"2,5-dimethylbenzoic acid","IUPAC Name Markup":"2,5-dimethylbenzoic acid","IUPAC Name Preferred":"2,5-dimethylbenzoic acid","IUPAC Name Systematic":"2,5-dimethylbenzoic acid","IUPAC Name Traditional":"2,5-xylic acid",InChI:"1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)",InChIKey:"XZRHNAFEYMSXRG-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":150.068079562,"Molecular Formula":"C9H10O2","Molecular Weight":150.17,"Monoisotopic Mass":150.068079562,Charge:0,"Easy Name":"Isoxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C9H10O2"},11914:{PUBCHEM:{CID:"11914","Compound Complexity":138,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R)-2-hydroxy-2-phenyl-acetic acid","IUPAC Name CAS-like Style":"(2R)-2-hydroxy-2-phenylacetic acid","IUPAC Name Markup":"(2R)-2-hydroxy-2-phenylacetic acid","IUPAC Name Preferred":"(2R)-2-hydroxy-2-phenylacetic acid","IUPAC Name Systematic":"(2R)-2-oxidanyl-2-phenyl-ethanoic acid","IUPAC Name Traditional":"(2R)-2-hydroxy-2-phenyl-acetic acid",InChI:"1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1",InChIKey:"IWYDHOAUDWTVEP-SSDOTTSWSA-N","Log P":.6,"Exact Mass":152.047344117,"Molecular Formula":"C8H8O3","Molecular Weight":152.15,"Monoisotopic Mass":152.047344117,Charge:0,"Easy Name":" (2R)-2-hydroxy-2-phenylacetic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C8H8O3"},11930:{PUBCHEM:{CID:"11930","Compound Complexity":285,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,3,5-triphenylbenzene","IUPAC Name CAS-like Style":"1,3,5-triphenylbenzene","IUPAC Name Markup":"1,3,5-triphenylbenzene","IUPAC Name Preferred":"1,3,5-triphenylbenzene","IUPAC Name Systematic":"1,3,5-triphenylbenzene","IUPAC Name Traditional":"1,3,5-triphenylbenzene",InChI:"1S/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H",InChIKey:"SXWIAEOZZQADEY-UHFFFAOYSA-N","Log P":6.8,"Exact Mass":306.14085058,"Molecular Formula":"C24H18","Molecular Weight":306.4,"Monoisotopic Mass":306.14085058,Charge:0,"Easy Name":"1, 3, 5-Triphenylbenzene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C24H18"},12003:{PUBCHEM:{CID:"12003","Compound Complexity":97.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"3,4-dibromophenol","IUPAC Name CAS-like Style":"3,4-dibromophenol","IUPAC Name Markup":"3,4-dibromophenol","IUPAC Name Preferred":"3,4-dibromophenol","IUPAC Name Systematic":"3,4-bis(bromanyl)phenol","IUPAC Name Traditional":"3,4-dibromophenol",InChI:"1S/C6H4Br2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H",InChIKey:"KYZSNVXYOQKZAK-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":251.86084,"Molecular Formula":"C6H4Br2O","Molecular Weight":251.9,"Monoisotopic Mass":249.86289,Charge:0,"Easy Name":"3, 4-Dibromophenol","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C6H4O1"},12005:{PUBCHEM:{CID:"12005","Compound Complexity":97.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4-dibromophenol","IUPAC Name CAS-like Style":"2,4-dibromophenol","IUPAC Name Markup":"2,4-dibromophenol","IUPAC Name Preferred":"2,4-dibromophenol","IUPAC Name Systematic":"2,4-bis(bromanyl)phenol","IUPAC Name Traditional":"2,4-dibromophenol",InChI:"1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",InChIKey:"FAXWFCTVSHEODL-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":251.86084,"Molecular Formula":"C6H4Br2O","Molecular Weight":251.9,"Monoisotopic Mass":249.86289,Charge:0,"Easy Name":"2, 4-dibromophenol","Easy Category":"Phenols"},HSDB:{"Boiling Point":{Value:"238.5 °C"},"Color And Form":{Value:"Needles from petroleum ether"},Density:{Value:"2.0700 g/cu cm at 20 °C"},"Melting Point":{Value:"38 °C"},Solubility:{Value:"Slightly soluble in carbon tetrachloride; very soluble in ethanol, ether, benzene"},"Vapor Pressure":{Value:"1.34X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"Br2C6H4O1"},12017:{PUBCHEM:{CID:"12017","Compound Complexity":28.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,2-dichlorobutane","IUPAC Name CAS-like Style":"1,2-dichlorobutane","IUPAC Name Markup":"1,2-dichlorobutane","IUPAC Name Preferred":"1,2-dichlorobutane","IUPAC Name Systematic":"1,2-bis(chloranyl)butane","IUPAC Name Traditional":"1,2-dichlorobutane",InChI:"1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3",InChIKey:"PQBOTZNYFQWRHU-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":126.0003056,"Molecular Formula":"C4H8Cl2","Molecular Weight":127.01,"Monoisotopic Mass":126.0003056,Charge:0,"Easy Name":"1, 2-Dichlorobutane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"124.1 °C"},Density:{Value:"1.1116 @ 25 °C/4 °C"},"NFPA Hazard Classification":{Value:"2-2-0"},"Refractive Index":{Value:"Index of refraction: 1.4450 @ 20 °C"},Solubility:{Value:"Insoluble in water; soluble in ether, chloroform and carbon tetrachloride."},"Vapor Density":{Value:"4.38 (AIR= 1)"},"Vapor Pressure":{Value:"20.9 mm Hg @ 25 °C"}},ReducedFormula:"C4Cl2H8"},12018:{PUBCHEM:{CID:"12018","Compound Complexity":32,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2,3-dichloropropan-1-ol","IUPAC Name CAS-like Style":"2,3-dichloro-1-propanol","IUPAC Name Markup":"2,3-dichloropropan-1-ol","IUPAC Name Preferred":"2,3-dichloropropan-1-ol","IUPAC Name Systematic":"2,3-bis(chloranyl)propan-1-ol","IUPAC Name Traditional":"2,3-dichloropropan-1-ol",InChI:"1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2",InChIKey:"ZXCYIJGIGSDJQQ-UHFFFAOYSA-N","Log P":.8,"Exact Mass":127.9795702,"Molecular Formula":"C3H6Cl2O","Molecular Weight":128.98,"Monoisotopic Mass":127.9795702,Charge:0,"Easy Name":"2, 3-dichloro-1-propanol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"183-185 °C"},"Color And Form":{Value:"VISCOUS LIQ"},Density:{Value:"1.3607 @ 20 °C/4 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4819 @ 20 °C/D"},Solubility:{Value:"Soluble in ethanol, ether, acetone"},Uses:{Value:"Production of epichlorohydrin"}},ReducedFormula:"C3Cl2H6O1"},12021:{PUBCHEM:{CID:"12021","Compound Complexity":44,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Dimethyl carbonate","IUPAC Name CAS-like Style":"Carbonic acid dimethyl ester","IUPAC Name Markup":"Dimethyl carbonate","IUPAC Name Preferred":"Dimethyl carbonate","IUPAC Name Systematic":"Dimethyl carbonate","IUPAC Name Traditional":"Carbonic acid dimethyl ester",InChI:"1S/C3H6O3/c1-5-3(4)6-2/h1-2H3",InChIKey:"IEJIGPNLZYLLBP-UHFFFAOYSA-N","Log P":.5,"Exact Mass":90.031694052,"Molecular Formula":"C3H6O3","Molecular Weight":90.08,"Monoisotopic Mass":90.031694052,Charge:0,"Easy Name":"Dimethyl carbonate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"90.5 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 548.00 K; Critical pressure: 4.5X10+6 Pa"},Density:{Value:"1.0636 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"3.8363X10+7 J/Kmol at 273.15 K"},"Melting Point":{Value:"0.5 °C"},"NFPA Hazard Classification":{Value:"1-3-1"},Odor:{Value:"Pleasant odor"},"Refractive Index":{Value:"Index of refraction: 1.3687"},Solubility:{Value:"In water, 1.38X10+5 mg/L at 25 °C (est)"},Uses:{Value:"Organic synthesis, specialty solvent"},"Vapor Pressure":{Value:"55.364 mm Hg at 25 °C"},Viscosity:{Value:"0.664 mPa.s at 20 °C"}},ReducedFormula:"C3H6O3"},12025:{PUBCHEM:{CID:"12025","Compound Complexity":69.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyrrolidin-2-one","IUPAC Name CAS-like Style":"2-pyrrolidinone","IUPAC Name Markup":"Pyrrolidin-2-one","IUPAC Name Preferred":"Pyrrolidin-2-one","IUPAC Name Systematic":"Pyrrolidin-2-one","IUPAC Name Traditional":"2-pyrrolidone",InChI:"1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",InChIKey:"HNJBEVLQSNELDL-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":85.05276385,"Molecular Formula":"C4H7NO","Molecular Weight":85.1,"Monoisotopic Mass":85.05276385,Charge:0,"Easy Name":"2-Pyrrolidone","Easy Category":"Lactam"},HSDB:{"Boiling Point":{Value:"245 °C @ 760 mm Hg; 113-114 @ 9.2 mm Hg; 76 °C @ 0.2 mm Hg"},"Color And Form":{Value:"CRYSTALS FROM COLD PETROLEUM ETHER"},"Critical Temperature And Pressure":{Value:"Critical Temperature: 802 K; Critical Pressure: 6.17X10+6 Pa"},Density:{Value:"1.116 @ 25 °C"},"Heat Of Vaporization":{Value:"666 kJ/kg (enthalpy of evaporation)"},"Melting Point":{Value:"25.0 °C"},"NFPA Hazard Classification":{Value:"2-1-0"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4806 @ 30 °C/D; SADTLER REF NUMBER: 7235 (IR, PRISM); 818 (NMR)"},Solubility:{Value:"Very sol in alcohol, ether, benzene, chloroform, carbon disulfide"},Uses:{Value:"Intermediate in mfr of polyvinylpyrrolidone & polypyrrolidone (polymer, formed in presence of alkaline catalysts); used as high-boiling solvent in petroleum processing, acrylonitrile mfr; in specialty printers inks; industrial solvent for polymers, Chlordane, DDT, sorbitol, glycerol, iodine, sugars; as plasticizer & coalescing agent for acrylic-styrene emulsion-type floor polishes"},"Vapor Pressure":{Value:"9.49X10-3 mm Hg @ 25 °C"},Viscosity:{Value:"13.3 CP @ 25 °C"}},ReducedFormula:"C4H7N1O1"},12039:{PUBCHEM:{CID:"12039","Compound Complexity":392,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(3R,4R)-3-(1-carboxyvinyloxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid","IUPAC Name CAS-like Style":"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-1-cyclohexa-1,5-dienecarboxylic acid","IUPAC Name Markup":"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid","IUPAC Name Preferred":"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid","IUPAC Name Systematic":"(3R,4R)-4-oxidanyl-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohexa-1,5-diene-1-carboxylic acid","IUPAC Name Traditional":"(3R,4R)-3-(1-carboxyvinyloxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",InChI:"1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1",InChIKey:"WTFXTQVDAKGDEY-HTQZYQBOSA-N","Log P":.2,"Exact Mass":226.04773804,"Molecular Formula":"C10H10O6","Molecular Weight":226.18,"Monoisotopic Mass":226.04773804,Charge:0,"Easy Name":"Chorismic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C10H10O6"},12048:{PUBCHEM:{CID:"12048","Compound Complexity":21.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"3-ethylpentane","IUPAC Name CAS-like Style":"3-ethylpentane","IUPAC Name Markup":"3-ethylpentane","IUPAC Name Preferred":"3-ethylpentane","IUPAC Name Systematic":"3-ethylpentane","IUPAC Name Traditional":"3-ethylpentane",InChI:"1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3",InChIKey:"AORMDLNPRGXHHL-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":100.12520052,"Molecular Formula":"C7H16","Molecular Weight":100.2,"Monoisotopic Mass":100.12520052,Charge:0,"Easy Name":"3-Ethylpentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C7H16"},12073:{PUBCHEM:{CID:"12073","Compound Complexity":154,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3,4-dimethylbenzoic acid","IUPAC Name CAS-like Style":"3,4-dimethylbenzoic acid","IUPAC Name Markup":"3,4-dimethylbenzoic acid","IUPAC Name Preferred":"3,4-dimethylbenzoic acid","IUPAC Name Systematic":"3,4-dimethylbenzoic acid","IUPAC Name Traditional":"3,4-xylic acid",InChI:"1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)",InChIKey:"OPVAJFQBSDUNQA-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":150.068079562,"Molecular Formula":"C9H10O2","Molecular Weight":150.17,"Monoisotopic Mass":150.068079562,Charge:0,"Easy Name":"Paraxylic Acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H10O2"},12096:{PUBCHEM:{CID:"12096","Compound Complexity":35.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"3-ethylhexane","IUPAC Name CAS-like Style":"3-ethylhexane","IUPAC Name Markup":"3-ethylhexane","IUPAC Name Preferred":"3-ethylhexane","IUPAC Name Systematic":"3-ethylhexane","IUPAC Name Traditional":"3-ethylhexane",InChI:"1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3",InChIKey:"SFRKSDZMZHIISH-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":114.14085058,"Molecular 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Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Hexan-3-ol","IUPAC Name CAS-like Style":"3-hexanol","IUPAC Name Markup":"Hexan-3-ol","IUPAC Name Preferred":"Hexan-3-ol","IUPAC Name Systematic":"Hexan-3-ol","IUPAC Name Traditional":"Hexan-3-ol",InChI:"1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3",InChIKey:"ZOCHHNOQQHDWHG-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":102.10446507,"Molecular Formula":"C6H14O","Molecular Weight":102.17,"Monoisotopic Mass":102.10446507,Charge:0,"Easy Name":"3-Hexanol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C6H14O1"},12180:{PUBCHEM:{CID:"12180","Compound Complexity":59.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Methyl butanoate","IUPAC Name CAS-like Style":"Butanoic acid methyl ester","IUPAC Name Markup":"Methyl butanoate","IUPAC Name Preferred":"Methyl butanoate","IUPAC Name Systematic":"Methyl butanoate","IUPAC Name Traditional":"Butyric acid methyl ester",InChI:"1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3",InChIKey:"UUIQMZJEGPQKFD-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"Methyl butyrate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"102.8 °C @ 760 mm Hg"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.8984 @ 20 °C/4 °C"},"Melting Point":{Value:"-85.8 °C"},"NFPA Hazard Classification":{Value:"2-3-0"},Odor:{Value:"APPLE-LIKE ODOR"},"Refractive Index":{Value:"Index of refraction: 1.3878 @ 20 °C/D"},Solubility:{Value:"Miscible in ethanol, ethyl ether; slightly soluble in carbon tetrachloride"},Taste:{Value:"APPLE-LIKE, SWEET TASTE; NOT VERY POWERFUL; BELOW 100 PPM MAY HAVE BANANA-PINEAPPLE FLAVOR"},Uses:{Value:"Solvent for ethylcellulose; solvent mixture for nitrocellulose"},"Vapor Density":{Value:"3.5 (AIR= 1)"},"Vapor Pressure":{Value:"32.3 mm Hg @ 25 °C"}},ReducedFormula:"C5H10O2"},12206:{PUBCHEM:{CID:"12206","Compound Complexity":68.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Methyl pentanoate","IUPAC Name CAS-like Style":"Pentanoic acid methyl ester","IUPAC Name Markup":"Methyl pentanoate","IUPAC Name Preferred":"Methyl pentanoate","IUPAC Name Systematic":"Methyl pentanoate","IUPAC Name Traditional":"Valeric acid methyl ester",InChI:"1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3",InChIKey:"HNBDRPTVWVGKBR-UHFFFAOYSA-N","Log P":2,"Exact Mass":116.08372963,"Molecular Formula":"C6H12O2","Molecular Weight":116.16,"Monoisotopic Mass":116.08372963,Charge:0,"Easy Name":"Methyl pentanoate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C6H12O2"},12220:{PUBCHEM:{CID:"12220","Compound Complexity":15.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"But-2-ene","IUPAC Name CAS-like Style":"2-butene","IUPAC Name Markup":"But-2-ene","IUPAC Name Preferred":"But-2-ene","IUPAC Name Systematic":"But-2-ene","IUPAC Name Traditional":"But-2-ene",InChI:"1S/C4H8/c1-3-4-2/h3-4H,1-2H3",InChIKey:"IAQRGUVFOMOMEM-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":56.062600258,"Molecular Formula":"C4H8","Molecular Weight":56.11,"Monoisotopic Mass":56.062600258,Charge:0,"Easy Name":"2-butene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"3.73 °C at 760 mm Hg /cis-2-Butene/"},"Color And Form":{Value:"Colorless gas"},"Melting Point":{Value:"-139.3 °C /cis-2-Butene/"},Solubility:{Value:"In water, 594 mg/L at 25 °C (est)"},Uses:{Value:"INT FOR BUTADIENE, HEPTENES, SEC-BUTYL ALC, BUTYLENE OXIDE; PRODN OF HIGH-DENSITY POLYETHYLENE & POLYMER GASOLINES"},"Vapor Pressure":{Value:"1600 mm Hg at 25 °C /cis-2-Butene/"}},ReducedFormula:"C4H8"},12228:{PUBCHEM:{CID:"12228","Compound Complexity":44,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Methylimino(oxo)methane","IUPAC Name CAS-like Style":"Methylimino(oxo)methane","IUPAC Name Markup":"Methylimino(oxo)methane","IUPAC Name Preferred":"Methylimino(oxo)methane","IUPAC Name Systematic":"Methylimino(oxidanylidene)methane","IUPAC Name Traditional":"Keto(methylimino)methane",InChI:"1S/C2H3NO/c1-3-2-4/h1H3",InChIKey:"HAMGRBXTJNITHG-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":57.021463721,"Molecular Formula":"C2H3NO","Molecular Weight":57.05,"Monoisotopic Mass":57.021463721,Charge:0,"Easy Name":"Methyl isocyanate","Easy Category":"Organic compound"},HSDB:{"Boiling Point":{Value:"39.5 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.9230 g/cu cm at 27 °C"},"Melting Point":{Value:"-45 °C"},"NFPA Hazard Classification":{Value:"4-3-2- ̵W̵"},Odor:{Value:"Sharp, unpleasant odor"},"Refractive Index":{Value:"Index of refraction = 1.3419 at 18 °C"},Solubility:{Value:"10 G/100 ML WATER AT 15 °C"},Uses:{Value:"Intermediate"},"Vapor Density":{Value:"1.42 (AIR= 1)"},"Vapor Pressure":{Value:"348 mm Hg at 20 °C"}},ReducedFormula:"C2H3N1O1"},12231:{PUBCHEM:{CID:"12231","Compound Complexity":20,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Methyl nitrite","IUPAC Name CAS-like Style":"Nitrous acid methyl ester","IUPAC Name Markup":"Methyl nitrite","IUPAC Name Preferred":"Methyl nitrite","IUPAC Name Systematic":"Methyl nitrite","IUPAC Name Traditional":"Nitrous acid methyl ester",InChI:"1S/CH3NO2/c1-4-2-3/h1H3",InChIKey:"BLLFVUPNHCTMSV-UHFFFAOYSA-N","Log P":0,"Exact Mass":61.01637834,"Molecular Formula":"CH3NO2","Molecular Weight":61.04,"Monoisotopic Mass":61.01637834,Charge:0,"Easy Name":"Methyl nitrite","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"64.6 °C @ 760 mm Hg (explodes)"},"Color And Form":{Value:"Gas"},Density:{Value:"0.991"},"Melting Point":{Value:"-16 °C"},Solubility:{Value:"Soluble in ethanol and ether"},Uses:{Value:"It has uses in the synthesis of nitrite and nitroso esters."},"Vapor Pressure":{Value:"1,650 mm Hg @ 25 °C /Estimated/"}},ReducedFormula:"C1H3N1O2"},12259:{PUBCHEM:{CID:"12259","Compound Complexity":47.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Ethyl nitrate","IUPAC Name CAS-like Style":"Nitric acid ethyl ester","IUPAC Name Markup":"Ethyl nitrate","IUPAC Name Preferred":"Ethyl nitrate","IUPAC Name Systematic":"Ethyl nitrate","IUPAC Name Traditional":"Nitric acid ethyl ester",InChI:"1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3",InChIKey:"IDNUEBSJWINEMI-UHFFFAOYSA-N","Log P":.9,"Exact Mass":91.026943024,"Molecular Formula":"C2H5NO3","Molecular Weight":91.07,"Monoisotopic Mass":91.026943024,Charge:0,"Easy Name":"Ethyl nitrate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"87.2 °C @ 762 mm Hg"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"1.1084 @ 20 °C/4 °C"},"Melting Point":{Value:"-94.6 °C"},"NFPA Hazard Classification":{Value:"2-3-4"},Odor:{Value:"Pleasant odor"},"Refractive Index":{Value:"Index of refraction: 1.3852 @ 20 °C"},Solubility:{Value:"Sol in alcohol and ether; insoluble in water"},Taste:{Value:"Sweet taste"},Uses:{Value:"Organic synthesis of drugs, perfumes, and dyes, and as rocket propellant."},"Vapor Density":{Value:"3.1 (Air= 1)"},"Vapor Pressure":{Value:"64.0 mm Hg @ 25 °C"}},ReducedFormula:"C2H5N1O3"},12280:{PUBCHEM:{CID:"12280","Compound Complexity":87.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"3,5-dibromophenol","IUPAC Name CAS-like Style":"3,5-dibromophenol","IUPAC Name Markup":"3,5-dibromophenol","IUPAC Name Preferred":"3,5-dibromophenol","IUPAC Name Systematic":"3,5-bis(bromanyl)phenol","IUPAC Name Traditional":"3,5-dibromophenol",InChI:"1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H",InChIKey:"PZFMWYNHJFZBPO-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":251.86084,"Molecular Formula":"C6H4Br2O","Molecular Weight":251.9,"Monoisotopic Mass":249.86289,Charge:0,"Easy Name":"3, 5-dibromophenol","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C6H4O1"},12296:{PUBCHEM:{CID:"12296","Compound Complexity":33.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"4-methylpentan-1-ol","IUPAC Name CAS-like Style":"4-methyl-1-pentanol","IUPAC Name Markup":"4-methylpentan-1-ol","IUPAC Name Preferred":"4-methylpentan-1-ol","IUPAC Name Systematic":"4-methylpentan-1-ol","IUPAC Name Traditional":"4-methylpentan-1-ol",InChI:"1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3",InChIKey:"PCWGTDULNUVNBN-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":102.10446507,"Molecular Formula":"C6H14O","Molecular Weight":102.17,"Monoisotopic Mass":102.10446507,Charge:0,"Easy Name":"4-Methyl-1-pentanol","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C6H14O1"},12297:{PUBCHEM:{CID:"12297","Compound Complexity":35.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Hexan-2-ol","IUPAC Name CAS-like Style":"2-hexanol","IUPAC Name Markup":"Hexan-2-ol","IUPAC Name Preferred":"Hexan-2-ol","IUPAC Name Systematic":"Hexan-2-ol","IUPAC Name Traditional":"Hexan-2-ol",InChI:"1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3",InChIKey:"QNVRIHYSUZMSGM-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":102.10446507,"Molecular Formula":"C6H14O","Molecular Weight":102.17,"Monoisotopic Mass":102.10446507,Charge:0,"Easy Name":"2-Hexanol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C6H14O1"},12309:{PUBCHEM:{CID:"12309","Compound Complexity":44.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Pent-1-yne","IUPAC Name CAS-like Style":"1-pentyne","IUPAC Name Markup":"Pent-1-yne","IUPAC Name Preferred":"Pent-1-yne","IUPAC Name Systematic":"Pent-1-yne","IUPAC Name Traditional":"Pent-1-yne",InChI:"1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3",InChIKey:"IBXNCJKFFQIKKY-UHFFFAOYSA-N","Log P":2,"Exact Mass":68.062600258,"Molecular Formula":"C5H8","Molecular Weight":68.12,"Monoisotopic Mass":68.062600258,Charge:0,"Easy Name":"1-Pentyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C5H8"},12310:{PUBCHEM:{CID:"12310","Compound Complexity":58.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pent-2-yne","IUPAC Name CAS-like Style":"2-pentyne","IUPAC Name Markup":"Pent-2-yne","IUPAC Name Preferred":"Pent-2-yne","IUPAC Name Systematic":"Pent-2-yne","IUPAC Name Traditional":"Pent-2-yne",InChI:"1S/C5H8/c1-3-5-4-2/h3H2,1-2H3",InChIKey:"NKTDTMONXHODTI-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":68.062600258,"Molecular Formula":"C5H8","Molecular Weight":68.12,"Monoisotopic Mass":68.062600258,Charge:0,"Easy Name":"2-Pentyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C5H8"},12315:{PUBCHEM:{CID:"12315","Compound Complexity":13.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"N-methylpropan-1-amine","IUPAC Name CAS-like Style":"N-methyl-1-propanamine","IUPAC Name Markup":"N-methylpropan-1-amine","IUPAC Name Preferred":"N-methylpropan-1-amine","IUPAC Name Systematic":"N-methylpropan-1-amine","IUPAC Name Traditional":"Methyl(propyl)amine",InChI:"1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3",InChIKey:"GVWISOJSERXQBM-UHFFFAOYSA-N","Log P":.8,"Exact Mass":73.08914936,"Molecular Formula":"C4H11N","Molecular Weight":73.14,"Monoisotopic Mass":73.08914936,Charge:0,"Easy Name":"Methyl-n-propylamine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C4H11N1"},12318:{PUBCHEM:{CID:"12318","Compound Complexity":11.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diethylmercury","IUPAC Name CAS-like Style":"Diethylmercury","IUPAC Name Markup":"Diethylmercury","IUPAC Name Preferred":"Diethylmercury","IUPAC Name Systematic":"Diethylmercury","IUPAC Name Traditional":"Diethylmercury",InChI:"1S/2C2H5.Hg/c2*1-2;/h2*1H2,2H3;",InChIKey:"SPIUPAOJDZNUJH-UHFFFAOYSA-N","Exact Mass":260.048894,"Molecular Formula":"C4H10Hg","Molecular Weight":258.71,"Monoisotopic Mass":260.048894,Charge:0,"Easy Name":"Diethylmercury","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C4H10Hg1"},12334:{PUBCHEM:{CID:"12334","Compound Complexity":72.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"3-chloropropyl acetate","IUPAC Name CAS-like Style":"Acetic acid 3-chloropropyl ester","IUPAC Name Markup":"3-chloropropyl acetate","IUPAC Name Preferred":"3-chloropropyl acetate","IUPAC Name Systematic":"3-chloranylpropyl ethanoate","IUPAC Name Traditional":"Acetic acid 3-chloropropyl ester",InChI:"1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3",InChIKey:"KPOHQIPNNIMWRL-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":136.0291072,"Molecular Formula":"C5H9ClO2","Molecular Weight":136.58,"Monoisotopic Mass":136.0291072,Charge:0,"Easy Name":"3-Chloropropyl acetate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C5Cl1H9O2"},12340:{PUBCHEM:{CID:"12340","Compound Complexity":19.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1-ethoxypropane","IUPAC Name CAS-like Style":"1-ethoxypropane","IUPAC Name Markup":"1-ethoxypropane","IUPAC Name Preferred":"1-ethoxypropane","IUPAC Name Systematic":"1-ethoxypropane","IUPAC Name Traditional":"1-ethoxypropane",InChI:"1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3",InChIKey:"NVJUHMXYKCUMQA-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":88.08881501,"Molecular Formula":"C5H12O","Molecular Weight":88.15,"Monoisotopic Mass":88.08881501,Charge:0,"Easy Name":"1-Ethoxypropane","Easy Category":"Ether"},HSDB:{},ReducedFormula:"C5H12O1"},12343:{PUBCHEM:{CID:"12343","Compound Complexity":58,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclohexa-1,4-diene","IUPAC Name CAS-like Style":"Cyclohexa-1,4-diene","IUPAC Name Markup":"Cyclohexa-1,4-diene","IUPAC Name Preferred":"Cyclohexa-1,4-diene","IUPAC Name Systematic":"Cyclohexa-1,4-diene","IUPAC Name Traditional":"Cyclohexa-1,4-diene",InChI:"1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2",InChIKey:"UVJHQYIOXKWHFD-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":80.062600258,"Molecular Formula":"C6H8","Molecular Weight":80.13,"Monoisotopic Mass":80.062600258,Charge:0,"Easy Name":"1, 4-Cyclohexadiene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C6H8"},12344:{PUBCHEM:{CID:"12344","Compound Complexity":86.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"5-methylhexanoic acid","IUPAC Name CAS-like Style":"5-methylhexanoic acid","IUPAC Name Markup":"5-methylhexanoic acid","IUPAC Name Preferred":"5-methylhexanoic acid","IUPAC Name Systematic":"5-methylhexanoic acid","IUPAC Name Traditional":"5-methylhexanoic acid",InChI:"1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",InChIKey:"MHPUGCYGQWGLJL-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":130.09937969,"Molecular Formula":"C7H14O2","Molecular Weight":130.18,"Monoisotopic Mass":130.09937969,Charge:0,"Easy Name":"5-methylhexanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H14O2"},12348:{PUBCHEM:{CID:"12348","Compound Complexity":79,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"Pentyl acetate","IUPAC Name CAS-like Style":"Acetic acid pentyl ester","IUPAC Name Markup":"Pentyl acetate","IUPAC Name Preferred":"Pentyl acetate","IUPAC Name Systematic":"Pentyl ethanoate","IUPAC Name Traditional":"Acetic acid amyl ester",InChI:"1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",InChIKey:"PGMYKACGEOXYJE-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":130.09937969,"Molecular Formula":"C7H14O2","Molecular Weight":130.18,"Monoisotopic Mass":130.09937969,Charge:0,"Easy Name":"Pentyl acetate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"149.2 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 600 K; critical pressure: 2.79 MPa"},Density:{Value:"0.8756 at 20 °C"},"Heat Of Vaporization":{Value:"38.42 kJ/mol at bp; 48.56 kJ/mol at 25 °C"},"Melting Point":{Value:"-70.8 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Persistent banana-like odor"},"Refractive Index":{Value:"Index of refraction: 1.4023 at 20 °C"},Solubility:{Value:"Miscible with ethanol, ethyl ether; soluble in carbon tetrachloride"},Uses:{Value:"Solvent for lacquers and paints, extraction of penicillin, photographic film, leather polishes, nail polish, warning odor, flavoring agent, printing and finishing fabrics, solvent for phosphors in fluorescent lamps."},"Vapor Density":{Value:"4.5 (Air = 1)"},"Vapor Pressure":{Value:"3.5 mm Hg at 25 °C /from experimentally derived coefficients/"},Viscosity:{Value:"1.58 cP at 11 °C"}},ReducedFormula:"C7H14O2"},12350:{PUBCHEM:{CID:"12350","Compound Complexity":63.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hept-1-yne","IUPAC Name CAS-like 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Markup":"Tetradecane","IUPAC Name Preferred":"Tetradecane","IUPAC Name Systematic":"Tetradecane","IUPAC Name Traditional":"Tetradecane",InChI:"1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3",InChIKey:"BGHCVCJVXZWKCC-UHFFFAOYSA-N","Log P":7.2,"Exact Mass":198.23475097,"Molecular Formula":"C14H30","Molecular Weight":198.39,"Monoisotopic Mass":198.23475097,Charge:0,"Easy Name":"Tetradecane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"253.57 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 693 deg K; critical pressure: 1.56 MPa"},Density:{Value:"0.7628 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"71.3 KJ/mole at 25 °C"},"Melting Point":{Value:"5.87 °C"},"NFPA Hazard Classification":{Value:"1-1-0"},"Refractive Index":{Value:"Index of refraction: 1.4290 at 20 °C"},Solubility:{Value:"In water, 3.3X10-4 mg/L at 25 °C"},Uses:{Value:"Organic synthesis, solvent standardized hydrocarbon, distillation chaser."},"Vapor Density":{Value:"6.83 (Air = 1)"},"Vapor Pressure":{Value:"0.015 mm Hg at 25 °C"},Viscosity:{Value:"2.13 mPa s at 25 °C"}},ReducedFormula:"C14H30"},12391:{PUBCHEM:{CID:"12391","Compound Complexity":84.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":12,"IUPAC Name Allowed":"Pentadecane","IUPAC Name CAS-like Style":"Pentadecane","IUPAC Name Markup":"Pentadecane","IUPAC Name Preferred":"Pentadecane","IUPAC Name Systematic":"Pentadecane","IUPAC Name Traditional":"Pentadecane",InChI:"1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3",InChIKey:"YCOZIPAWZNQLMR-UHFFFAOYSA-N","Log P":7.7,"Exact Mass":212.25040103,"Molecular Formula":"C15H32","Molecular Weight":212.41,"Monoisotopic Mass":212.25040103,Charge:0,"Easy Name":"Pentadecane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"270.6 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 707 deg K; critical pressure: 1.54 MPa"},Density:{Value:"0.7685 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"76.77 kJ/mol at 25 °C"},"Melting Point":{Value:"9.95 °C"},"Refractive Index":{Value:"Index of refraction: 1.4315 at 20 °C"},Solubility:{Value:"In water, 4.0X10-5 mg/L at 25 °C"},Uses:{Value:"It is used in organic synthesis and as solvent."},"Vapor Pressure":{Value:"4.92X10-3 mm Hg at 25 °C"}},ReducedFormula:"C15H32"},12398:{PUBCHEM:{CID:"12398","Compound Complexity":103,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":14,"IUPAC Name Allowed":"Heptadecane","IUPAC Name CAS-like Style":"Heptadecane","IUPAC Name Markup":"Heptadecane","IUPAC Name Preferred":"Heptadecane","IUPAC Name Systematic":"Heptadecane","IUPAC Name Traditional":"Heptadecane",InChI:"1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3",InChIKey:"NDJKXXJCMXVBJW-UHFFFAOYSA-N","Log P":8.8,"Exact Mass":240.28170116,"Molecular Formula":"C17H36","Molecular Weight":240.5,"Monoisotopic 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Mass":268.31300129,"Molecular Formula":"C19H40","Molecular Weight":268.5,"Monoisotopic Mass":268.31300129,Charge:0,"Easy Name":"Nonadecane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"330 °C"},"Color And Form":{Value:"Waxy solid"},Density:{Value:"0.7855 g/cu cm at 20 °C"},"Melting Point":{Value:"31.50 °C"},Odor:{Value:"Fuel-like"},"Refractive Index":{Value:"Index of refraction: 1.4409 at 20 °C/D"},Solubility:{Value:"In water, 3.7X10-5 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"4.9X10-5 mm Hg at 25 °C (extrapolated)"}},ReducedFormula:"C19H40"},12403:{PUBCHEM:{CID:"12403","Compound Complexity":143,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":18,"IUPAC Name Allowed":"Henicosane","IUPAC Name CAS-like Style":"Heneicosane","IUPAC Name Markup":"Henicosane","IUPAC Name Preferred":"Henicosane","IUPAC Name Systematic":"Henicosane","IUPAC Name Traditional":"Heneicosane",InChI:"1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3",InChIKey:"FNAZRRHPUDJQCJ-UHFFFAOYSA-N","Log P":11,"Exact Mass":296.34430142,"Molecular Formula":"C21H44","Molecular Weight":296.6,"Monoisotopic Mass":296.34430142,Charge:0,"Easy Name":"Heneicosane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"359 °C"},"Color And Form":{Value:"Crystals from water"},Density:{Value:"0.7919 g/cu cm at 20 °C"},"Melting Point":{Value:"40.4 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.4441 at 20 °C/D"},Solubility:{Value:"In water, 2.9X10-8 mg/L at 25 °C (extrapolated)"},"Vapor Pressure":{Value:"8.73X10-5 mm Hg at 25 °C (extrapolated)"}},ReducedFormula:"C21H44"},12405:{PUBCHEM:{CID:"12405","Compound Complexity":153,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":19,"IUPAC Name Allowed":"Docosane","IUPAC Name CAS-like Style":"Docosane","IUPAC Name Markup":"Docosane","IUPAC Name Preferred":"Docosane","IUPAC Name Systematic":"Docosane","IUPAC Name Traditional":"Docosane",InChI:"1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",InChIKey:"HOWGUJZVBDQJKV-UHFFFAOYSA-N","Log P":11.5,"Exact Mass":310.35995148,"Molecular Formula":"C22H46","Molecular Weight":310.6,"Monoisotopic Mass":310.35995148,Charge:0,"Easy Name":"Docosane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"369 °C"},"Color And Form":{Value:"Platelets from toluene; crystals from ether"},Density:{Value:"0.7944 g/cu cm at 20 °C"},"Melting Point":{Value:"43.8 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.4455 at 20 °C/D"},Solubility:{Value:"In water. 7.77X10-7 mg/L at 25 °C"},"Vapor Pressure":{Value:"1.28X10-6 mm Hg at 25 °C"}},ReducedFormula:"C22H46"},12410:{PUBCHEM:{CID:"12410","Compound Complexity":254,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":28,"IUPAC Name Allowed":"Hentriacontane","IUPAC Name CAS-like Style":"Hentriacontane","IUPAC Name Markup":"Hentriacontane","IUPAC Name Preferred":"Hentriacontane","IUPAC Name Systematic":"Hentriacontane","IUPAC Name Traditional":"Hentriacontane",InChI:"1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",InChIKey:"IUJAMGNYPWYUPM-UHFFFAOYSA-N","Log P":16.4,"Exact Mass":436.50080206,"Molecular Formula":"C31H64","Molecular Weight":436.8,"Monoisotopic Mass":436.50080206,Charge:0,"Easy Name":"Hentriacontane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"438 °C"},"Color And Form":{Value:"Leaves from ethyl acetate"},"Melting Point":{Value:"68 °C"},"Refractive Index":{Value:"Index of refraction: 1.4278 at 90 °C"},Solubility:{Value:"In water, 1.52X10-11 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"1.40X10-11 mm Hg at 25 °C (Extrapolated)"}},ReducedFormula:"C31H64"},12418:{PUBCHEM:{CID:"12418","Compound Complexity":35.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,1,2-tetrachloroethane","IUPAC Name CAS-like Style":"1,1,1,2-tetrachloroethane","IUPAC Name Markup":"1,1,1,2-tetrachloroethane","IUPAC Name Preferred":"1,1,1,2-tetrachloroethane","IUPAC Name Systematic":"1,1,1,2-tetrakis(chloranyl)ethane","IUPAC Name Traditional":"1,1,1,2-tetrachloroethane",InChI:"1S/C2H2Cl4/c3-1-2(4,5)6/h1H2",InChIKey:"QVLAWKAXOMEXPM-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":167.888111,"Molecular Formula":"C2H2Cl4","Molecular Weight":167.8,"Monoisotopic Mass":165.891061,Charge:0,"Easy Name":"1, 1, 1, 2-Tetrachloroethane","Easy Category":"Organochlorides"},HSDB:{"Boiling Point":{Value:"130.2 °C"},"Color And Form":{Value:"Colorless, heavy liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature = 624 K; Critical pressure = 4.02X10+06 Pa"},Density:{Value:"1.5406 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"243.50 joules/g at 20 °C"},"Melting Point":{Value:"-70.2 °C"},"Refractive Index":{Value:"Index of refraction = 1.4821 at 20 °C/D"},Solubility:{Value:"Soluble in acetone, benzene, chloroform; miscible in ethanol and ether"},Uses:{Value:"AS SOLVENT; MFR OF INSECTICIDES, HERBICIDES, SOIL FUMIGANTS, BLEACHES, PAINTS & VARNISHES"},"Vapor Pressure":{Value:"12.0 mm Hg at 25 °C"},Viscosity:{Value:"1.50X10-3 Pa-sec at 20 °C"}},ReducedFormula:"C2Cl4H2"},12439:{PUBCHEM:{CID:"12439","Compound Complexity":144,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,6-dimethylbenzoic acid","IUPAC Name CAS-like Style":"2,6-dimethylbenzoic acid","IUPAC Name Markup":"2,6-dimethylbenzoic acid","IUPAC Name Preferred":"2,6-dimethylbenzoic acid","IUPAC Name Systematic":"2,6-dimethylbenzoic acid","IUPAC Name Traditional":"2,6-xylic acid",InChI:"1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)",InChIKey:"HCBHQDKBSKYGCK-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":150.068079562,"Molecular Formula":"C9H10O2","Molecular Weight":150.17,"Monoisotopic Mass":150.068079562,Charge:0,"Easy Name":"2, 6-Dimethylbenzoic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H10O2"},12447:{PUBCHEM:{CID:"12447","Compound Complexity":515,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"4-[(4-aminophenyl)-(4-imino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride","IUPAC Name CAS-like Style":"4-[(4-aminophenyl)-(4-imino-3-methyl-1-cyclohexa-2,5-dienylidene)methyl]aniline;hydrochloride","IUPAC Name Markup":"4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride","IUPAC Name Preferred":"4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride","IUPAC Name Systematic":"4-[(4-aminophenyl)-(4-azanylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride","IUPAC Name Traditional":"[4-[(4-aminophenyl)-(4-imino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]phenyl]amine;hydrochloride",InChI:"1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,23H,21-22H2,1H3;1H",InChIKey:"AXDJCCTWPBKUKL-UHFFFAOYSA-N","Exact Mass":337.1345754,"Molecular Formula":"C20H20ClN3","Molecular Weight":337.8,"Monoisotopic Mass":337.1345754,Charge:0,"Easy Name":"Fuchsine","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Color And Form":{Value:"METALLIC GREEN LUSTROUS CRYSTALS"},Solubility:{Value:"2.65 PARTS DISSOLVE IN 1000 PARTS WATER; SOL IN ALCOHOL WITH A CARMINE RED COLOR; PRACTICALLY INSOL IN ETHER"},Uses:{Value:"ANTIFUNGAL AGENT"}},ReducedFormula:"C20Cl1H20N3"},12449:{PUBCHEM:{CID:"12449","Compound Complexity":642,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"[4-[[4-(diethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium;hydrogen sulfate","IUPAC Name CAS-like Style":"[4-[[4-(diethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium;hydrogen sulfate","IUPAC Name Markup":"[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;hydrogen sulfate","IUPAC Name Preferred":"[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;hydrogen sulfate","IUPAC Name Systematic":"[4-[[4-(diethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium;hydrogen sulfate","IUPAC Name Traditional":"[4-[[4-(diethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium;bisulfate",InChI:"1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",InChIKey:"NNBFNNNWANBMTI-UHFFFAOYSA-M","Exact Mass":482.22392876,"Molecular Formula":"C27H34N2O4S","Molecular Weight":482.6,"Monoisotopic Mass":482.22392876,Charge:0,"Easy Name":"Brilliant Green","Easy Category":"Pharmaceutical drug"},HSDB:{"Color And Form":{Value:"Minute, glistening, golden crystals"},"Melting Point":{Value:"210 °C, decomposes."},Solubility:{Value:"40 mg/ml in water; 60 mg/ml in 2-methoxyethanol; 50 mg/ml in ethanol"},Uses:{Value:"Use as an agriculture fungicide."}},ReducedFormula:"C27H34N2O4S1"},12521:{PUBCHEM:{CID:"12521","Compound Complexity":35.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2-chlorohexane","IUPAC Name CAS-like Style":"2-chlorohexane","IUPAC Name Markup":"2-chlorohexane","IUPAC Name Preferred":"2-chlorohexane","IUPAC Name Systematic":"2-chloranylhexane","IUPAC Name Traditional":"2-chlorohexane",InChI:"1S/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3",InChIKey:"GLCIPJOIEVLTPR-UHFFFAOYSA-N","Log P":3,"Exact Mass":120.0705781,"Molecular Formula":"C6H13Cl","Molecular Weight":120.62,"Monoisotopic Mass":120.0705781,Charge:0,"Easy Name":"2-chlorohexane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C6Cl1H13"},12522:{PUBCHEM:{CID:"12522","Compound Complexity":110,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"4-amino-4-oxo-butanoic acid","IUPAC Name CAS-like Style":"4-amino-4-oxobutanoic acid","IUPAC Name Markup":"4-amino-4-oxobutanoic acid","IUPAC Name Preferred":"4-amino-4-oxobutanoic acid","IUPAC Name Systematic":"4-azanyl-4-oxidanylidene-butanoic acid","IUPAC Name Traditional":"4-amino-4-keto-butyric acid",InChI:"1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)",InChIKey:"JDVPQXZIJDEHAN-UHFFFAOYSA-N","Log P":-1.2,"Exact Mass":117.042593089,"Molecular Formula":"C4H7NO3","Molecular Weight":117.1,"Monoisotopic Mass":117.042593089,Charge:0,"Easy Name":"Succinamic acid","Easy Category":"Amide"},HSDB:{},ReducedFormula:"C4H7N1O3"},12524:{PUBCHEM:{CID:"12524","Compound Complexity":41.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Butanedial","IUPAC Name CAS-like Style":"Butanedial","IUPAC Name Markup":"Butanedial","IUPAC Name Preferred":"Butanedial","IUPAC Name Systematic":"Butanedial","IUPAC Name Traditional":"Succinaldehyde",InChI:"1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",InChIKey:"PCSMJKASWLYICJ-UHFFFAOYSA-N","Log P":-.9,"Exact Mass":86.036779433,"Molecular Formula":"C4H6O2","Molecular Weight":86.09,"Monoisotopic Mass":86.036779433,Charge:0,"Easy Name":"Succinaldehyde","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C4H6O2"},12530:{PUBCHEM:{CID:"12530","Compound Complexity":144,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":11,"IUPAC Name Allowed":"Tridecanoic acid","IUPAC Name CAS-like Style":"Tridecanoic acid","IUPAC Name Markup":"Tridecanoic acid","IUPAC Name Preferred":"Tridecanoic acid","IUPAC Name Systematic":"Tridecanoic acid","IUPAC Name Traditional":"Tridecanoic acid",InChI:"1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",InChIKey:"SZHOJFHSIKHZHA-UHFFFAOYSA-N","Log P":4.7,"Exact Mass":214.19328008,"Molecular Formula":"C13H26O2","Molecular Weight":214.34,"Monoisotopic Mass":214.19328008,Charge:0,"Easy Name":"Tridecylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C13H26O2"},12531:{PUBCHEM:{CID:"12531","Compound Complexity":178,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":14,"IUPAC Name Allowed":"Tetradecyl acetate","IUPAC Name CAS-like Style":"Acetic acid tetradecyl ester","IUPAC Name Markup":"Tetradecyl acetate","IUPAC Name Preferred":"Tetradecyl acetate","IUPAC Name Systematic":"Tetradecyl ethanoate","IUPAC Name Traditional":"Acetic acid myristyl ester",InChI:"1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3",InChIKey:"IOUUIFSIQMVYKP-UHFFFAOYSA-N","Log P":6.7,"Exact Mass":256.24023027,"Molecular Formula":"C16H32O2","Molecular Weight":256.42,"Monoisotopic Mass":256.24023027,Charge:0,"Easy Name":"Myristyl Acetate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C16H32O2"},12534:{PUBCHEM:{CID:"12534","Compound Complexity":165,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":20,"IUPAC Name Allowed":"Tricosane","IUPAC Name CAS-like Style":"Tricosane","IUPAC Name Markup":"Tricosane","IUPAC Name Preferred":"Tricosane","IUPAC Name Systematic":"Tricosane","IUPAC Name Traditional":"Tricosane",InChI:"1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3",InChIKey:"FIGVVZUWCLSUEI-UHFFFAOYSA-N","Log P":12.1,"Exact Mass":324.37560155,"Molecular Formula":"C23H48","Molecular Weight":324.6,"Monoisotopic Mass":324.37560155,Charge:0,"Easy Name":"Tricosane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"381 °C"},"Color And Form":{Value:"Leaflets from ethyl ether-alcohol"},"Melting Point":{Value:"47.4 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 2.317X10-7 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"1.74X10-5 mm Hg at 25 °C (extrapolated)"}},ReducedFormula:"C23H48"},12544:{PUBCHEM:{CID:"12544","Compound Complexity":727,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":6,"IUPAC Name Allowed":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid","IUPAC Name CAS-like Style":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]acetic acid","IUPAC Name Markup":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid","IUPAC Name Preferred":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid","IUPAC Name Systematic":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid","IUPAC Name Traditional":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid",InChI:"1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1",InChIKey:"GHCZAUBVMUEKKP-GYPHWSFCSA-N","Log P":4.3,"Exact Mass":449.31412349,"Molecular Formula":"C26H43NO5","Molecular Weight":449.6,"Monoisotopic Mass":449.31412349,Charge:0,"Easy Name":"Glycochenodeoxycholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C26H43N1O5"},12560:{PUBCHEM:{CID:"12560","Compound Complexity":1180,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":5,"Rotatable Bond":7,"IUPAC Name Allowed":"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione","IUPAC Name CAS-like Style":"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione","IUPAC Name Markup":"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione","IUPAC Name Preferred":"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione","IUPAC Name Systematic":"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione","IUPAC Name Traditional":"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-quinone",InChI:"1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",InChIKey:"ULGZDMOVFRHVEP-RWJQBGPGSA-N","Log P":2.7,"Exact Mass":733.46124122,"Molecular Formula":"C37H67NO13","Molecular Weight":733.9,"Monoisotopic Mass":733.46124122,Charge:0,"Easy Name":"Erythromycin","Easy Category":"Antibacterial"},HSDB:{"Color And Form":{Value:"Hydrated crystals from water"},"Melting Point":{Value:"191 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH (saturated solution): 8 to 10.5; pH <4 is destructive"},Solubility:{Value:"Very soluble in acetone, ethyl ether, ethanol, chloroform"},Taste:{Value:"Bitter"},Uses:{Value:"Antibiotic"},"Vapor Pressure":{Value:"2.12X10-25 mm Hg at 25 °C (est)"}},ReducedFormula:"C37H67N1O13"},12575:{PUBCHEM:{CID:"12575","Compound Complexity":168,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"3-hydroxy-4-methoxy-benzoic acid","IUPAC Name CAS-like Style":"3-hydroxy-4-methoxybenzoic acid","IUPAC Name Markup":"3-hydroxy-4-methoxybenzoic acid","IUPAC Name Preferred":"3-hydroxy-4-methoxybenzoic acid","IUPAC Name Systematic":"4-methoxy-3-oxidanyl-benzoic acid","IUPAC Name Traditional":"Isovanillic acid",InChI:"1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)",InChIKey:"LBKFGYZQBSGRHY-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":168.042258736,"Molecular Formula":"C8H8O4","Molecular Weight":168.15,"Monoisotopic Mass":168.042258736,Charge:0,"Easy Name":"Isovanillic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C8H8O4"},12585:{PUBCHEM:{CID:"12585","Compound Complexity":27,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Pent-2-ene","IUPAC Name CAS-like Style":"2-pentene","IUPAC Name Markup":"Pent-2-ene","IUPAC Name Preferred":"Pent-2-ene","IUPAC Name Systematic":"Pent-2-ene","IUPAC Name Traditional":"Pent-2-ene",InChI:"1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3",InChIKey:"QMMOXUPEWRXHJS-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"2-Pentene","Easy Category":"Alkene"},HSDB:{"NFPA Hazard Classification":{Value:"0-4-0"},"Vapor Density":{Value:"2.4 (Air= 1)"}},ReducedFormula:"C5H10"},12586:{PUBCHEM:{CID:"12586","Compound Complexity":24.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3-dioxolane","IUPAC Name CAS-like Style":"1,3-dioxolane","IUPAC Name Markup":"1,3-dioxolane","IUPAC Name Preferred":"1,3-dioxolane","IUPAC Name Systematic":"1,3-dioxolane","IUPAC Name Traditional":"1,3-dioxolane",InChI:"1S/C3H6O2/c1-2-5-3-4-1/h1-3H2",InChIKey:"WNXJIVFYUVYPPR-UHFFFAOYSA-N","Log P":-.4,"Exact Mass":74.036779433,"Molecular Formula":"C3H6O2","Molecular Weight":74.08,"Monoisotopic Mass":74.036779433,Charge:0,"Easy Name":"Formal glycol","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"78 °C"},"Color And Form":{Value:"Water-white liquid"},Density:{Value:"1.0600 at 20 °C/4 °C"},"Melting Point":{Value:"-95 °C"},"NFPA Hazard Classification":{Value:"1-3-2- ̵W̵"},"Refractive Index":{Value:"Index of refraction: 1.3974 at 20 °C/D"},Solubility:{Value:"Soluble in ethanol, ether, acetone"},Uses:{Value:"Low-boiling solvent and extractant for oils, fats, waxes, dyes, and cellulose derivatives."},"Vapor Density":{Value:"2.6 (Air= 1)"},"Vapor Pressure":{Value:"79 mm Hg at 20 °C"}},ReducedFormula:"C3H6O2"},12587:{PUBCHEM:{CID:"12587","Compound Complexity":76.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"4-methylpentanoic acid","IUPAC Name CAS-like Style":"4-methylpentanoic acid","IUPAC Name Markup":"4-methylpentanoic acid","IUPAC Name Preferred":"4-methylpentanoic acid","IUPAC Name Systematic":"4-methylpentanoic acid","IUPAC Name Traditional":"4-methylvaleric acid",InChI:"1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",InChIKey:"FGKJLKRYENPLQH-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":116.08372963,"Molecular Formula":"C6H12O2","Molecular Weight":116.16,"Monoisotopic Mass":116.08372963,Charge:0,"Easy Name":"Isocaproic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H12O2"},12591:{PUBCHEM:{CID:"12591","Compound Complexity":214,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":17,"IUPAC Name Allowed":"Nonadecanoic acid","IUPAC Name CAS-like Style":"Nonadecanoic acid","IUPAC Name Markup":"Nonadecanoic acid","IUPAC Name Preferred":"Nonadecanoic acid","IUPAC Name Systematic":"Nonadecanoic acid","IUPAC Name Traditional":"Nonadecanoic acid",InChI:"1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)",InChIKey:"ISYWECDDZWTKFF-UHFFFAOYSA-N","Log P":8,"Exact Mass":298.28718046,"Molecular Formula":"C19H38O2","Molecular Weight":298.5,"Monoisotopic Mass":298.28718046,Charge:0,"Easy Name":"Nonadecylic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C19H38O2"},12592:{PUBCHEM:{CID:"12592","Compound Complexity":174,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":21,"IUPAC Name Allowed":"Tetracosane","IUPAC Name CAS-like Style":"Tetracosane","IUPAC Name Markup":"Tetracosane","IUPAC Name Preferred":"Tetracosane","IUPAC Name Systematic":"Tetracosane","IUPAC Name Traditional":"Tetracosane",InChI:"1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",InChIKey:"POOSGDOYLQNASK-UHFFFAOYSA-N","Log P":12.6,"Exact Mass":338.39125161,"Molecular Formula":"C24H50","Molecular Weight":338.7,"Monoisotopic Mass":338.39125161,Charge:0,"Easy Name":"Tetracosane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"391 °C"},"Color And Form":{Value:"Crystals"},Density:{Value:"0.7991 g/cu cm at 20 °C"},"Melting Point":{Value:"50.3 °C"},Solubility:{Value:"In water, 6.44X10-8 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"4.07X10-6 mm Hg at 25 °C (extrapolated)"}},ReducedFormula:"C24H50"},12623:{PUBCHEM:{CID:"12623","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trimethylstannane","IUPAC Name CAS-like Style":"Trimethylstannane","IUPAC Name Markup":"Trimethylstannane","IUPAC Name Preferred":"Trimethylstannane","IUPAC Name Systematic":"Trimethylstannane","IUPAC Name Traditional":"Trimethylstannane",InChI:"1S/3CH3.Sn.H/h3*1H3;;",InChIKey:"UKHQRARQNZOXRL-UHFFFAOYSA-N","Exact Mass":165.980452,"Molecular Formula":"C3H10Sn","Molecular Weight":164.82,"Monoisotopic Mass":165.980452,Charge:0,"Easy Name":"Trimethylstannane","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C3H10Sn1"},12629:{PUBCHEM:{CID:"12629","Compound Complexity":478,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":20,"IUPAC Name Allowed":"2-hydroxynonadecane-1,2,3-tricarboxylic acid","IUPAC Name CAS-like Style":"2-hydroxynonadecane-1,2,3-tricarboxylic acid","IUPAC Name Markup":"2-hydroxynonadecane-1,2,3-tricarboxylic acid","IUPAC Name Preferred":"2-hydroxynonadecane-1,2,3-tricarboxylic acid","IUPAC Name Systematic":"2-oxidanylnonadecane-1,2,3-tricarboxylic acid","IUPAC Name Traditional":"2-hydroxynonadecane-1,2,3-tricarboxylic acid",InChI:"1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)",InChIKey:"HZLCGUXUOFWCCN-UHFFFAOYSA-N","Log P":6.5,"Exact Mass":416.27740363,"Molecular Formula":"C22H40O7","Molecular Weight":416.5,"Monoisotopic Mass":416.27740363,Charge:0,"Easy Name":"2-hydroxynonadecane-1, 2, 3-tricarboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C22H40O7"},12657:{PUBCHEM:{CID:"12657","Compound Complexity":101,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Azocan-2-one","IUPAC Name CAS-like Style":"2-azocanone","IUPAC Name Markup":"Azocan-2-one","IUPAC Name Preferred":"Azocan-2-one","IUPAC Name Systematic":"Azocan-2-one","IUPAC Name Traditional":"Azocan-2-one",InChI:"1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)",InChIKey:"CJYXCQLOZNIMFP-UHFFFAOYSA-N","Log P":.2,"Exact Mass":127.09971404,"Molecular Formula":"C7H13NO","Molecular Weight":127.18,"Monoisotopic Mass":127.09971404,Charge:0,"Easy Name":"2-Azocanone","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C7H13N1O1"},12661:{PUBCHEM:{CID:"12661","Compound Complexity":104,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"4-methyleneoxetan-2-one","IUPAC Name CAS-like Style":"4-methylene-2-oxetanone","IUPAC Name Markup":"4-methylideneoxetan-2-one","IUPAC Name Preferred":"4-methylideneoxetan-2-one","IUPAC Name Systematic":"4-methylideneoxetan-2-one","IUPAC Name Traditional":"4-methyleneoxetan-2-one",InChI:"1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2",InChIKey:"WASQWSOJHCZDFK-UHFFFAOYSA-N","Log P":.3,"Exact Mass":84.021129368,"Molecular Formula":"C4H4O2","Molecular Weight":84.07,"Monoisotopic Mass":84.021129368,Charge:0,"Easy Name":"Diketene","Easy Category":"Lactone"},HSDB:{"Boiling Point":{Value:"127 °C"},"Color And Form":{Value:"Colorless liquid; turns brownish-yellow upon standing at room temperature"},"Critical Temperature And Pressure":{Value:"Critical temperature: 310 °C (583.16 K); critical pressure: 5.47 MPa"},Density:{Value:"1.0877 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"42.89 kJ/mol at 25 °C"},"Melting Point":{Value:"-6.5 °C"},"NFPA Hazard Classification":{Value:"3-3-2- ̵W̵"},Odor:{Value:"Pungent odor"},"Refractive Index":{Value:"Index of refraction: 1.4342 at 23 °C/D"},Solubility:{Value:"Very slightly soluble in water in which it decomposes slowly"},Uses:{Value:"Reagent in synthetic organic chemistry."},"Vapor Density":{Value:"2.9 (Air = 1)"},"Vapor Pressure":{Value:"10.7 mm Hg at 25 °C"},Viscosity:{Value:"0.88 mPa.s"}},ReducedFormula:"C4H4O2"},12665:{PUBCHEM:{CID:"12665","Compound Complexity":80.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Piperidin-2-one","IUPAC Name CAS-like Style":"2-piperidinone","IUPAC Name Markup":"Piperidin-2-one","IUPAC Name Preferred":"Piperidin-2-one","IUPAC Name Systematic":"Piperidin-2-one","IUPAC Name Traditional":"2-piperidone",InChI:"1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)",InChIKey:"XUWHAWMETYGRKB-UHFFFAOYSA-N","Log P":-.5,"Exact Mass":99.068413914,"Molecular Formula":"C5H9NO","Molecular Weight":99.13,"Monoisotopic Mass":99.068413914,Charge:0,"Easy Name":"2-Piperidinone","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C5H9N1O1"},12670:{PUBCHEM:{CID:"12670","Compound Complexity":4.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;carbanide;chloride","IUPAC Name CAS-like Style":"Magnesium;carbanide;chloride","IUPAC Name Markup":"Magnesium;carbanide;chloride","IUPAC Name Preferred":"Magnesium;carbanide;chloride","IUPAC Name Systematic":"Magnesium;carbanide;chloride","IUPAC Name Traditional":"Magnesium;carbanide;chloride",InChI:"1S/CH3.ClH.Mg/h1H3;1H;/q-1;;+2/p-1",InChIKey:"CCERQOYLJJULMD-UHFFFAOYSA-M","Exact Mass":73.9773695,"Molecular Formula":"CH3ClMg","Molecular Weight":74.79,"Monoisotopic Mass":73.9773695,Charge:0,"Easy Name":"Chloro (methyl)magnesium","Easy Category":"Organometallic compounds"},HSDB:{Uses:{Value:"Alkylating agent in organic synthesis; grignard reagent"}},ReducedFormula:"C1Cl1H3Mg1"},12682:{PUBCHEM:{CID:"12682","Compound Complexity":55.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Tetramethyl silicate","IUPAC Name CAS-like Style":"Tetramethyl silicate","IUPAC Name Markup":"Tetramethyl silicate","IUPAC Name Preferred":"Tetramethyl silicate","IUPAC Name Systematic":"Tetramethyl silicate","IUPAC Name Traditional":"Tetramethyl orthosilicate",InChI:"1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3",InChIKey:"LFQCEHFDDXELDD-UHFFFAOYSA-N","Exact Mass":152.0504854,"Molecular Formula":"C4H12O4Si","Molecular Weight":152.22,"Monoisotopic Mass":152.0504854,Charge:0,"Easy Name":"Tetramethyl orthosilicate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"121 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"1.0232 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"46.5 kJ/mol"},"Melting Point":{Value:"-1 °C"},"NFPA Hazard Classification":{Value:"3-3-1"},"Refractive Index":{Value:"Index of refraction: 1.3683 at 20 °C"},Solubility:{Value:"Very soluble in ethanol"},Uses:{Value:"Methyl silicate has been used in the ceramic industry for closing pores, including those in concrete and cement, for coating metal surfaces and as a bonding agent in paints and lacquers."},"Vapor Density":{Value:"Relative vapor density (air = 1): 5.3"},"Vapor Pressure":{Value:"16.5 mm Hg at 20 °C (2.2 kPa)"},Viscosity:{Value:"0.5 cP"}},ReducedFormula:"C4H12O4Si1"},12732:{PUBCHEM:{CID:"12732","Compound Complexity":53.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Hex-1-yne","IUPAC Name CAS-like Style":"1-hexyne","IUPAC Name Markup":"Hex-1-yne","IUPAC Name Preferred":"Hex-1-yne","IUPAC Name Systematic":"Hex-1-yne","IUPAC Name Traditional":"Hex-1-yne",InChI:"1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3",InChIKey:"CGHIBGNXEGJPQZ-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":82.078250322,"Molecular Formula":"C6H10","Molecular Weight":82.14,"Monoisotopic Mass":82.078250322,Charge:0,"Easy Name":"1-hexyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C6H10"},12752:{PUBCHEM:{CID:"12752","Compound Complexity":46.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Phenylsilane","IUPAC Name CAS-like Style":"Phenylsilane","IUPAC Name Markup":"Phenylsilane","IUPAC Name Preferred":"Phenylsilane","IUPAC Name Systematic":"Phenylsilane","IUPAC Name Traditional":"Phenylsilane",InChI:"1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3",InChIKey:"PARWUHTVGZSQPD-UHFFFAOYSA-N","Exact Mass":108.039526793,"Molecular Formula":"C6H8Si","Molecular Weight":108.21,"Monoisotopic Mass":108.039526793,Charge:0,"Easy Name":"Phenylsilane","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C6H8Si1"},12756:{PUBCHEM:{CID:"12756","Compound Complexity":98.7,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"5-ethyltetrahydrofuran-2-one","IUPAC Name CAS-like Style":"5-ethyl-2-oxolanone","IUPAC Name Markup":"5-ethyloxolan-2-one","IUPAC Name Preferred":"5-ethyloxolan-2-one","IUPAC Name Systematic":"5-ethyloxolan-2-one","IUPAC Name Traditional":"5-ethyltetrahydrofuran-2-one",InChI:"1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3",InChIKey:"JBFHTYHTHYHCDJ-UHFFFAOYSA-N","Log P":.7,"Exact Mass":114.068079562,"Molecular Formula":"C6H10O2","Molecular Weight":114.14,"Monoisotopic Mass":114.068079562,Charge:0,"Easy Name":"Γ-Caprolactone","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C6H10O2"},12921:{PUBCHEM:{CID:"12921","Compound Complexity":318,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":15,"IUPAC Name Allowed":"8-(2-octylcyclopropen-1-yl)octanoic acid","IUPAC Name CAS-like Style":"8-(2-octyl-1-cyclopropenyl)octanoic acid","IUPAC Name Markup":"8-(2-octylcyclopropen-1-yl)octanoic acid","IUPAC Name Preferred":"8-(2-octylcyclopropen-1-yl)octanoic acid","IUPAC Name Systematic":"8-(2-octylcyclopropen-1-yl)octanoic acid","IUPAC Name Traditional":"8-(2-octylcyclopropen-1-yl)caprylic acid",InChI:"1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)",InChIKey:"PQRKPYLNZGDCFH-UHFFFAOYSA-N","Log P":5.8,"Exact Mass":294.25588034,"Molecular Formula":"C19H34O2","Molecular Weight":294.5,"Monoisotopic Mass":294.25588034,Charge:0,"Easy Name":"Sterculic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C19H34O2"},12955:{PUBCHEM:{CID:"12955","Compound Complexity":30.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloro(dimethyl)stannane","IUPAC Name CAS-like Style":"Dichloro(dimethyl)stannane","IUPAC Name Markup":"Dichloro(dimethyl)stannane","IUPAC Name Preferred":"Dichloro(dimethyl)stannane","IUPAC Name Systematic":"Bis(chloranyl)-dimethyl-stannane","IUPAC Name Traditional":"Dichloro(dimethyl)stannane",InChI:"1S/2CH3.2ClH.Sn/h2*1H3;2*1H;/q;;;;+2/p-2",InChIKey:"PKKGKUDPKRTKLJ-UHFFFAOYSA-L","Exact Mass":219.886857,"Molecular Formula":"C2H6Cl2Sn","Molecular Weight":219.68,"Monoisotopic Mass":219.886857,Charge:0,"Easy Name":"Dichlorodimethyltin","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C2Cl2H6Sn1"},12971:{PUBCHEM:{CID:"12971","Compound Complexity":42.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3,4-dichlorobut-1-ene","IUPAC Name CAS-like Style":"3,4-dichloro-1-butene","IUPAC Name Markup":"3,4-dichlorobut-1-ene","IUPAC Name Preferred":"3,4-dichlorobut-1-ene","IUPAC Name Systematic":"3,4-bis(chloranyl)but-1-ene","IUPAC Name Traditional":"3,4-dichlorobut-1-ene",InChI:"1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2",InChIKey:"XVEASTGLHPVZNA-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":123.9846556,"Molecular Formula":"C4H6Cl2","Molecular Weight":124.99,"Monoisotopic Mass":123.9846556,Charge:0,"Easy Name":"3, 4-dichlorobut-1-ene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"118.6 °C"},"Color And Form":{Value:"COLORLESS LIQ"},"Critical Temperature And Pressure":{Value:"Critical temperature = 589 deg K; Critical pressure = 3.85X10+6 Pa"},Density:{Value:"1.153 @ 25 °C/4 °C"},"Heat Of Vaporization":{Value:"4.3473X10+7 J/kmol @ 212 K"},"Melting Point":{Value:"-61 °C"},"NFPA Hazard Classification":{Value:"3-2-1"},"Refractive Index":{Value:"Index of refraction: 1.4630 @ 20 °C/D"},Solubility:{Value:"420 mg/l of water; soluble in polar solvents."},Uses:{Value:"Chemical intermediate for chloroprene."},"Vapor Pressure":{Value:"21.9 mm Hg @ 25 °C"},Viscosity:{Value:"0.0050666 pascal-sec"}},ReducedFormula:"C4Cl2H6"},13016:{PUBCHEM:{CID:"13016","Compound Complexity":65,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Methylsulfanylmethylbenzene","IUPAC Name CAS-like Style":"(methylthio)methylbenzene","IUPAC Name Markup":"Methylsulfanylmethylbenzene","IUPAC Name Preferred":"Methylsulfanylmethylbenzene","IUPAC Name Systematic":"Methylsulfanylmethylbenzene","IUPAC Name Traditional":"(methylthio)methylbenzene",InChI:"1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",InChIKey:"OFQPKKGMNWASPN-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":138.0503215,"Molecular Formula":"C8H10S","Molecular Weight":138.23,"Monoisotopic Mass":138.0503215,Charge:0,"Easy Name":"Methylsulfanylmethylbenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C8H10S1"},13097:{PUBCHEM:{CID:"13097","Compound Complexity":281,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Diphenylphosphorylbenzene","IUPAC Name CAS-like Style":"Diphenylphosphorylbenzene","IUPAC Name Markup":"Diphenylphosphorylbenzene","IUPAC Name Preferred":"Diphenylphosphorylbenzene","IUPAC Name Systematic":"Diphenylphosphorylbenzene","IUPAC Name Traditional":"Diphenylphosphorylbenzene",InChI:"1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",InChIKey:"FIQMHBFVRAXMOP-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":278.0860521,"Molecular Formula":"C18H15OP","Molecular Weight":278.3,"Monoisotopic Mass":278.0860521,Charge:0,"Easy Name":"Triphenylphosphine oxide","Easy Category":"Organophosphorus"},HSDB:{},ReducedFormula:"C18H15O1P1"},13131:{PUBCHEM:{CID:"13131","Compound Complexity":54.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,1,2-tetrachloropropane","IUPAC Name CAS-like Style":"1,1,1,2-tetrachloropropane","IUPAC Name Markup":"1,1,1,2-tetrachloropropane","IUPAC Name Preferred":"1,1,1,2-tetrachloropropane","IUPAC Name Systematic":"1,1,1,2-tetrakis(chloranyl)propane","IUPAC Name Traditional":"1,1,1,2-tetrachloropropane",InChI:"1S/C3H4Cl4/c1-2(4)3(5,6)7/h2H,1H3",InChIKey:"FEKGWIHDBVDVSM-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":181.903761,"Molecular Formula":"C3H4Cl4","Molecular Weight":181.9,"Monoisotopic Mass":179.906711,Charge:0,"Easy Name":"1, 1, 1, 2-Tetrachloropropane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3Cl4H4"},13190:{PUBCHEM:{CID:"13190","Compound Complexity":74.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"Undec-1-ene","IUPAC Name CAS-like Style":"1-undecene","IUPAC Name Markup":"Undec-1-ene","IUPAC Name Preferred":"Undec-1-ene","IUPAC Name Systematic":"Undec-1-ene","IUPAC Name Traditional":"Undec-1-ene",InChI:"1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3",InChIKey:"DCTOHCCUXLBQMS-UHFFFAOYSA-N","Log P":6.2,"Exact Mass":154.17215071,"Molecular Formula":"C11H22","Molecular Weight":154.29,"Monoisotopic Mass":154.17215071,Charge:0,"Easy Name":"1-Undecene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"192.7 °C @ 760 mm Hg"},"Color And Form":{Value:"COLORLESS LIQUID"},"Critical Temperature And Pressure":{Value:"Critical temperature: 365 °C; critical pressure: 2030 kPa"},Density:{Value:"0.7503 @ 20 °C/4 °C"},"Heat Of Vaporization":{Value:"154 BTU/LB = 85.8 CAL/G = 3.59X10+5 JOULES/KG"},"Melting Point":{Value:"-49.2 °C"},Odor:{Value:"MILD"},"Refractive Index":{Value:"Index of refraction: 1.42609 @ 20 °C"},Solubility:{Value:"Sol in ether, chloroform, ligroin; insol in water"},"Vapor Pressure":{Value:"0.493 mm Hg @ 25 °C"},Viscosity:{Value:"1.38 sq mm/sec @ 100 °C /1-Undecene/"}},ReducedFormula:"C11H22"},13195:{PUBCHEM:{CID:"13195","Compound Complexity":44.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"5-methyl-1H-imidazole","IUPAC Name CAS-like Style":"5-methyl-1H-imidazole","IUPAC Name Markup":"5-methyl-1H-imidazole","IUPAC Name Preferred":"5-methyl-1H-imidazole","IUPAC Name Systematic":"5-methyl-1H-imidazole","IUPAC Name Traditional":"5-methyl-1H-imidazole",InChI:"1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)",InChIKey:"XLSZMDLNRCVEIJ-UHFFFAOYSA-N","Log P":.2,"Exact Mass":82.053098202,"Molecular Formula":"C4H6N2","Molecular Weight":82.1,"Monoisotopic Mass":82.053098202,Charge:0,"Easy Name":"4-Methylimidazol","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"263 °C"},"Color And Form":{Value:"Crystals"},Density:{Value:"1.0416 g/cu cm at 14 °C"},"Melting Point":{Value:"56 °C"},"Refractive Index":{Value:"Index of refraction = 1.5037 at 14 °C/D"},Solubility:{Value:"Very soluble in ethanol"},Uses:{Value:"Has been reported as one of several compounds resulting from interaction of reducing sugars with ammonia; Major pharmaceutical intermediate; Starting material for drug used for ulcer therapy and other drugs, antiseptic agents; Photo developing solution."},"Vapor Pressure":{Value:"0.007 mm Hg at 25 °C (est)"}},ReducedFormula:"C4H6N2"},13204:{PUBCHEM:{CID:"13204","Compound Complexity":98.7,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"6-methyltetrahydropyran-2-one","IUPAC Name CAS-like Style":"6-methyl-2-oxanone","IUPAC Name Markup":"6-methyloxan-2-one","IUPAC Name Preferred":"6-methyloxan-2-one","IUPAC Name Systematic":"6-methyloxan-2-one","IUPAC Name Traditional":"6-methyltetrahydropyran-2-one",InChI:"1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3",InChIKey:"RZTOWFMDBDPERY-UHFFFAOYSA-N","Log P":1,"Exact Mass":114.068079562,"Molecular Formula":"C6H10O2","Molecular Weight":114.14,"Monoisotopic Mass":114.068079562,Charge:0,"Easy Name":"Delta-Hexalactone","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C6H10O2"},13205:{PUBCHEM:{CID:"13205","Compound Complexity":82.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"2-methylbenzene-1,3-diamine","IUPAC Name CAS-like Style":"2-methylbenzene-1,3-diamine","IUPAC Name Markup":"2-methylbenzene-1,3-diamine","IUPAC Name Preferred":"2-methylbenzene-1,3-diamine","IUPAC Name Systematic":"2-methylbenzene-1,3-diamine","IUPAC Name Traditional":"(3-amino-2-methyl-phenyl)amine",InChI:"1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3",InChIKey:"RLYCRLGLCUXUPO-UHFFFAOYSA-N","Log P":.9,"Exact Mass":122.084398331,"Molecular Formula":"C7H10N2","Molecular Weight":122.17,"Monoisotopic Mass":122.084398331,Charge:0,"Easy Name":"2, 6-diaminotoluene","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"Prisms from benzene, water"},Density:{Value:"pKa = 4.69 (est)"},"Melting Point":{Value:"106 °C"},Solubility:{Value:"In water, 3.17 m/L at 25 °C (est)"},Uses:{Value:"Hair-dye substance banned by the European Union (September 2007)"},"Vapor Pressure":{Value:"2.13 kPa at 150 °C /0.000246 mm Hg at 25 °C/ (extrapolated)"}},ReducedFormula:"C7H10N2"},13214:{PUBCHEM:{CID:"13214","Compound Complexity":123,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;4-nitrophenolate","IUPAC Name CAS-like Style":"Sodium;4-nitrophenolate","IUPAC Name Markup":"Sodium;4-nitrophenolate","IUPAC Name Preferred":"Sodium;4-nitrophenolate","IUPAC Name Systematic":"Sodium;4-nitrophenolate","IUPAC Name Traditional":"Sodium;4-nitrophenolate",InChI:"1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1",InChIKey:"CURNJKLCYZZBNJ-UHFFFAOYSA-M","Exact Mass":161.00888727,"Molecular Formula":"C6H4NNaO3","Molecular Weight":161.09,"Monoisotopic Mass":161.00888727,Charge:0,"Easy Name":"Sodium nitrophenate","Easy Category":"Alkoxide"},HSDB:{"Color And Form":{Value:"Yellow crystalline solid"},Solubility:{Value:"Sol in water"},Uses:{Value:"Parathion & methylparathion are made by chlorinating the appropriate dialkyl dithiophosphate and subsequent reaction of the intermediate dialkyl thiophosphoric chloride with sodium p-nitrophenolate"}},ReducedFormula:"C6H4N1Na1O3"},13355:{PUBCHEM:{CID:"13355","Compound Complexity":123,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"Disodium;2,3-dihydroxybutanedioate","IUPAC Name CAS-like Style":"Disodium;2,3-dihydroxybutanedioate","IUPAC Name Markup":"Disodium;2,3-dihydroxybutanedioate","IUPAC Name Preferred":"Disodium;2,3-dihydroxybutanedioate","IUPAC Name Systematic":"Disodium;2,3-bis(oxidanyl)butanedioate","IUPAC Name Traditional":"Disodium;tartrate",InChI:"1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",InChIKey:"HELHAJAZNSDZJO-UHFFFAOYSA-L","Exact Mass":193.98032641,"Molecular Formula":"C4H4Na2O6","Molecular Weight":194.05,"Monoisotopic Mass":193.98032641,Charge:0,"Easy Name":"Disodium;2, 3-dihydroxybutanedioate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C4H4Na2O6"},13381:{PUBCHEM:{CID:"13381","Compound Complexity":64.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Dec-1-ene","IUPAC Name CAS-like Style":"1-decene","IUPAC Name Markup":"Dec-1-ene","IUPAC Name Preferred":"Dec-1-ene","IUPAC Name Systematic":"Dec-1-ene","IUPAC Name Traditional":"Dec-1-ene",InChI:"1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3",InChIKey:"AFFLGGQVNFXPEV-UHFFFAOYSA-N","Log P":5.7,"Exact Mass":140.15650064,"Molecular Formula":"C10H20","Molecular Weight":140.27,"Monoisotopic Mass":140.15650064,Charge:0,"Easy Name":"Decene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"170.56 °C @ 760 mm Hg"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 344.05 °C; critical pressure: 2.17X10+3 KPA"},Density:{Value:"0.7408 @ 20 °C/4 °C"},"Heat Of Vaporization":{Value:"119 BTU/LM = 65.9 CAL/G = 2.76X10+5 JOULES/KG"},"Melting Point":{Value:"-66.3 °C"},"NFPA Hazard Classification":{Value:"0-2-0"},Odor:{Value:"PLEASANT"},"Refractive Index":{Value:"Index of refraction: 1.4215 @ 20 °C"},Solubility:{Value:"Miscible in ethanol and ethyl ether"},Uses:{Value:"MONOMER FOR POLYALPHA-OLEFIN SYNTHETIC LUBRICANTS; IN LINEAR ALPHA-OLEFIN MIXT FOR PRODN OF PRIMARY ALCOHOLS; CHEM INT FOR OXO-PROCESS N-UNDECYL ALCOHOL"},"Vapor Density":{Value:"4.84 (Air= 1)"},"Vapor Pressure":{Value:"1.67 mm Hg @ 25 °C"},Viscosity:{Value:"1.09 sq mm/sec @ 20 °C"}},ReducedFormula:"C10H20"},13510:{PUBCHEM:{CID:"13510","Compound Complexity":31.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;cyanate","IUPAC Name CAS-like Style":"Sodium;cyanate","IUPAC Name Markup":"Sodium;cyanate","IUPAC Name Preferred":"Sodium;cyanate","IUPAC Name Systematic":"Sodium;cyanate","IUPAC Name Traditional":"Sodium;cyanate",InChI:"1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1",InChIKey:"ZVCDLGYNFYZZOK-UHFFFAOYSA-M","Exact Mass":64.98775791,"Molecular Formula":"CNNaO","Molecular Weight":65.007,"Monoisotopic Mass":64.98775791,Charge:0,"Easy Name":"Sodium cyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1N1Na1O1"},13534:{PUBCHEM:{CID:"13534","Compound Complexity":57.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"3,4-dimethylheptane","IUPAC Name CAS-like Style":"3,4-dimethylheptane","IUPAC Name Markup":"3,4-dimethylheptane","IUPAC Name Preferred":"3,4-dimethylheptane","IUPAC Name Systematic":"3,4-dimethylheptane","IUPAC Name Traditional":"3,4-dimethylheptane",InChI:"1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3",InChIKey:"MAKRYGRRIKSDES-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"3, 4-dimethylheptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},13556:{PUBCHEM:{CID:"13556","Compound Complexity":56.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1,3-dichlorobut-2-ene","IUPAC Name CAS-like Style":"1,3-dichloro-2-butene","IUPAC Name Markup":"1,3-dichlorobut-2-ene","IUPAC Name Preferred":"1,3-dichlorobut-2-ene","IUPAC Name Systematic":"1,3-bis(chloranyl)but-2-ene","IUPAC Name Traditional":"1,3-dichlorobut-2-ene",InChI:"1S/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3",InChIKey:"WLIADPFXSACYLS-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":123.9846556,"Molecular Formula":"C4H6Cl2","Molecular Weight":124.99,"Monoisotopic Mass":123.9846556,Charge:0,"Easy Name":"1, 3-dichloro-2-butene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"131 °C"},"Color And Form":{Value:"CLEAR TO STRAW-COLORED LIQUID"},Density:{Value:"1.161"},"NFPA Hazard Classification":{Value:"2-3-0"},"Refractive Index":{Value:"Index of refraction: 1.4692 @ 20 °C/D"},Solubility:{Value:"INSOL IN WATER; SOL IN MOST COMMON ORGANIC SOLVENTS"},Uses:{Value:"IN THE PESTICIDE, DDB"},"Vapor Density":{Value:"4.31 (Air = 1)"}},ReducedFormula:"C4Cl2H6"},13558:{PUBCHEM:{CID:"13558","Compound Complexity":49.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"3,5-dimethylheptane","IUPAC Name CAS-like Style":"3,5-dimethylheptane","IUPAC Name Markup":"3,5-dimethylheptane","IUPAC Name Preferred":"3,5-dimethylheptane","IUPAC Name Systematic":"3,5-dimethylheptane","IUPAC Name Traditional":"3,5-dimethylheptane",InChI:"1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3",InChIKey:"DZJTZGHZAWTWGA-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"3, 5-dimethylheptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},13568:{PUBCHEM:{CID:"13568","Compound Complexity":60.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hex-3-yne","IUPAC Name CAS-like Style":"3-hexyne","IUPAC Name Markup":"Hex-3-yne","IUPAC Name Preferred":"Hex-3-yne","IUPAC Name Systematic":"Hex-3-yne","IUPAC Name Traditional":"Hex-3-yne",InChI:"1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3",InChIKey:"DQQNMIPXXNPGCV-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":82.078250322,"Molecular Formula":"C6H10","Molecular Weight":82.14,"Monoisotopic Mass":82.078250322,Charge:0,"Easy Name":"3-Hexyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C6H10"},13730:{PUBCHEM:{CID:"13730","Compound Complexity":307,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol","IUPAC Name CAS-like Style":"(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanol","IUPAC Name Markup":"(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol","IUPAC Name Preferred":"(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol","IUPAC Name Systematic":"(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol","IUPAC Name Traditional":"(2R,3S,5R)-5-adenin-9-yl-2-methylol-tetrahydrofuran-3-ol",InChI:"1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1",InChIKey:"OLXZPDWKRNYJJZ-RRKCRQDMSA-N","Log P":-.5,"Exact Mass":251.1018393,"Molecular Formula":"C10H13N5O3","Molecular Weight":251.24,"Monoisotopic Mass":251.1018393,Charge:0,"Easy Name":"Deoxyadenosine","Easy Category":"Nucleoside"},HSDB:{},ReducedFormula:"C10H13N5O3"},13806:{PUBCHEM:{CID:"13806","Compound Complexity":823,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":7,"IUPAC Name Allowed":"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium;chloride","IUPAC Name CAS-like Style":"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]-ethylammonium;chloride","IUPAC Name Markup":"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium;chloride","IUPAC Name Preferred":"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium;chloride","IUPAC Name Systematic":"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium;chloride","IUPAC Name Traditional":"[9-(2-carbethoxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium;chloride",InChI:"1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H",InChIKey:"VYXSBFYARXAAKO-UHFFFAOYSA-N","Exact Mass":478.2023206,"Molecular Formula":"C28H31ClN2O3","Molecular Weight":479,"Monoisotopic Mass":478.2023206,Charge:0,"Easy Name":"Rhodamine 6G","Easy Category":"Aromatic hydrocarbon"},HSDB:{Solubility:{Value:"SOL IN WATER & ETHANOL"},Uses:{Value:"IN WESTERN EUROPE MAY BE PROVISIONALLY USED IN COSMETICS."}},ReducedFormula:"C28Cl1H31N2O3"},13811:{PUBCHEM:{CID:"13811","Compound Complexity":755,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":8,"Rotatable Bond":19,"IUPAC Name Allowed":"2-amino-6-[2-(4-amino-4-carboxy-butyl)-3,5-bis(3-amino-3-carboxy-propyl)pyridin-1-ium-1-yl]hexanoic acid","IUPAC Name CAS-like Style":"2-amino-6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)-1-pyridin-1-iumyl]hexanoic acid","IUPAC Name Markup":"2-amino-6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid","IUPAC Name Preferred":"2-amino-6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid","IUPAC Name Systematic":"2-azanyl-6-[3,5-bis(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-2-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)pyridin-1-ium-1-yl]hexanoic acid","IUPAC Name Traditional":"2-amino-6-[2-(4-amino-4-carboxy-butyl)-3,5-bis(3-amino-3-carboxy-propyl)pyridin-1-ium-1-yl]hexanoic acid",InChI:"1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1",InChIKey:"RGXCTRIQQODGIZ-UHFFFAOYSA-O","Log P":-10.1,"Exact Mass":526.28768827,"Molecular Formula":"C24H40N5O8+","Molecular Weight":526.6,"Monoisotopic Mass":526.28768827,Charge:1,"Easy Name":"Isodesmosine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"+1C24H40N5O8"},13849:{PUBCHEM:{CID:"13849","Compound Complexity":166,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"Pentadecanoic acid","IUPAC Name CAS-like Style":"Pentadecanoic acid","IUPAC Name Markup":"Pentadecanoic acid","IUPAC Name Preferred":"Pentadecanoic acid","IUPAC Name Systematic":"Pentadecanoic acid","IUPAC Name Traditional":"Pentadecanoic acid",InChI:"1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)",InChIKey:"WQEPLUUGTLDZJY-UHFFFAOYSA-N","Log P":5.8,"Exact Mass":242.22458021,"Molecular Formula":"C15H30O2","Molecular Weight":242.4,"Monoisotopic Mass":242.22458021,Charge:0,"Easy Name":"Pentadecanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C15H30O2"},14013:{PUBCHEM:{CID:"14013","Compound Complexity":24.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;hydrogen carbonate","IUPAC Name CAS-like Style":"Ammonium;hydrogen carbonate","IUPAC Name Markup":"Azanium;hydrogen carbonate","IUPAC Name Preferred":"Azanium;hydrogen carbonate","IUPAC Name Systematic":"Azanium;hydrogen carbonate","IUPAC Name Traditional":"Ammonium;bicarbonate",InChI:"1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3",InChIKey:"ATRRKUHOCOJYRX-UHFFFAOYSA-N","Exact Mass":79.026943024,"Molecular Formula":"CH5NO3","Molecular Weight":79.056,"Monoisotopic Mass":79.026943024,Charge:0,"Easy Name":"Ammonium bicarbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless or white crystals"},Density:{Value:"1.586 g/cu cm"},"Melting Point":{Value:"107 °C (decomposes)"},Odor:{Value:"Faint odor of ammonia"},pH:{Value:"pH of 0.1N solution in water at 25 °C = 7.8"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.423, 1.536, 1.555"},Solubility:{Value:"Insoluble in alcohol, acetone ... One gram dissolves in 10 mL glycerol (pharmaceutical grade)"},Uses:{Value:"For ammonium bicarbonate (USEPA/OPP Pesticide Code: 073401) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"7.85 kPa (58.9 mm Hg) at 25.4 °C"}},ReducedFormula:"C1H5N1O3"},14016:{PUBCHEM:{CID:"14016","Compound Complexity":28.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloro(trimethyl)stannane","IUPAC Name CAS-like Style":"Chloro(trimethyl)stannane","IUPAC Name Markup":"Chloro(trimethyl)stannane","IUPAC Name Preferred":"Chloro(trimethyl)stannane","IUPAC Name Systematic":"Chloranyl(trimethyl)stannane","IUPAC Name Traditional":"Chloro(trimethyl)stannane",InChI:"1S/3CH3.ClH.Sn/h3*1H3;1H;/q;;;;+1/p-1",InChIKey:"KWTSZCJMWHGPOS-UHFFFAOYSA-M","Exact Mass":199.94148,"Molecular Formula":"C3H9ClSn","Molecular Weight":199.27,"Monoisotopic Mass":199.94148,Charge:0,"Easy Name":"Trimethyltin chloride","Easy Category":"Organometallic compounds"},HSDB:{"Boiling Point":{Value:"154-156 °C"},"Color And Form":{Value:"Colorless needles"},"Melting Point":{Value:"37.5 °C"},Solubility:{Value:"Soluble in chloroform and organic solvents."},Uses:{Value:"For Trimethyltin chloride (USEPA/OPP Pesticide Code: 600007) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C3Cl1H9Sn1"},14056:{PUBCHEM:{CID:"14056","Compound Complexity":45.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1,1,1,3-tetrachloropropane","IUPAC Name CAS-like Style":"1,1,1,3-tetrachloropropane","IUPAC Name Markup":"1,1,1,3-tetrachloropropane","IUPAC Name Preferred":"1,1,1,3-tetrachloropropane","IUPAC Name Systematic":"1,1,1,3-tetrakis(chloranyl)propane","IUPAC Name Traditional":"1,1,1,3-tetrachloropropane",InChI:"1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2",InChIKey:"UTACNSITJSJFHA-UHFFFAOYSA-N","Log P":3,"Exact Mass":181.903761,"Molecular Formula":"C3H4Cl4","Molecular Weight":181.9,"Monoisotopic Mass":179.906711,Charge:0,"Easy Name":"1, 1, 1, 3-tetrachloropropane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3Cl4H4"},14058:{PUBCHEM:{CID:"14058","Compound Complexity":65.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,2,4,4-tetramethylpentane","IUPAC Name CAS-like Style":"2,2,4,4-tetramethylpentane","IUPAC Name Markup":"2,2,4,4-tetramethylpentane","IUPAC Name Preferred":"2,2,4,4-tetramethylpentane","IUPAC Name Systematic":"2,2,4,4-tetramethylpentane","IUPAC Name Traditional":"2,2,4,4-tetramethylpentane",InChI:"1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3",InChIKey:"GUMULFRCHLJNDY-UHFFFAOYSA-N","Log P":4.2,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"2, 2, 4, 4-tetramethylpentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},14062:{PUBCHEM:{CID:"14062","Compound Complexity":56.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2,2-dimethylheptane","IUPAC Name CAS-like Style":"2,2-dimethylheptane","IUPAC Name Markup":"2,2-dimethylheptane","IUPAC Name Preferred":"2,2-dimethylheptane","IUPAC Name Systematic":"2,2-dimethylheptane","IUPAC Name Traditional":"2,2-dimethylheptane",InChI:"1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3",InChIKey:"PSABUFWDVWCFDP-UHFFFAOYSA-N","Log P":4.7,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"2, 2-dimethylheptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},14067:{PUBCHEM:{CID:"14067","Compound Complexity":73.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2,2,5,5-tetramethylhexane","IUPAC Name CAS-like Style":"2,2,5,5-tetramethylhexane","IUPAC Name Markup":"2,2,5,5-tetramethylhexane","IUPAC Name Preferred":"2,2,5,5-tetramethylhexane","IUPAC Name Systematic":"2,2,5,5-tetramethylhexane","IUPAC Name Traditional":"2,2,5,5-tetramethylhexane",InChI:"1S/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3",InChIKey:"HXQDUXXBVMMIKL-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":142.17215071,"Molecular Formula":"C10H22","Molecular Weight":142.28,"Monoisotopic Mass":142.17215071,Charge:0,"Easy Name":"Bineopentyl","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C10H22"},14103:{PUBCHEM:{CID:"14103","Compound Complexity":177,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3,4-trimethylbenzoic acid","IUPAC Name CAS-like Style":"2,3,4-trimethylbenzoic acid","IUPAC Name Markup":"2,3,4-trimethylbenzoic acid","IUPAC Name Preferred":"2,3,4-trimethylbenzoic acid","IUPAC Name Systematic":"2,3,4-trimethylbenzoic acid","IUPAC Name Traditional":"Prehnitylic acid",InChI:"1S/C10H12O2/c1-6-4-5-9(10(11)12)8(3)7(6)2/h4-5H,1-3H3,(H,11,12)",InChIKey:"HDIJZFORGDBEKL-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":164.08372963,"Molecular Formula":"C10H12O2","Molecular Weight":164.2,"Monoisotopic Mass":164.08372963,Charge:0,"Easy Name":"2, 3, 4-Trimethylbenzoic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H12O2"},14213:{PUBCHEM:{CID:"14213","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;oxalate","IUPAC Name CAS-like Style":"Diammonium;oxalate","IUPAC Name Markup":"Diazanium;oxalate","IUPAC Name Preferred":"Diazanium;oxalate","IUPAC Name Systematic":"Diazanium;ethanedioate","IUPAC Name Traditional":"Diammonium;oxalate",InChI:"1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3",InChIKey:"VBIXEXWLHSRNKB-UHFFFAOYSA-N","Exact Mass":124.04840675,"Molecular Formula":"C2H8N2O4","Molecular Weight":124.1,"Monoisotopic Mass":124.04840675,Charge:0,"Easy Name":"Ammonium oxalate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"MFR EXPLOSIVES; ELECTROLYTIC DETINNING OF IRON; IN DYEING, METAL POLISHES; FOR DETECTION & DETERMINATION OF CALCIUM, LEAD, & RARE EARTH METALS; ANALYTICAL CHEMISTRY; MFR OF OXALATES; RUST & SCALE REMOVAL /MONOHYDRATE/"}},ReducedFormula:"C2H8N2O4"},14245:{PUBCHEM:{CID:"14245","Compound Complexity":78.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Hept-2-yne","IUPAC Name CAS-like Style":"2-heptyne","IUPAC Name Markup":"Hept-2-yne","IUPAC Name Preferred":"Hept-2-yne","IUPAC Name Systematic":"Hept-2-yne","IUPAC Name Traditional":"Hept-2-yne",InChI:"1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3",InChIKey:"AMSFEMSYKQQCHL-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":96.09390039,"Molecular Formula":"C7H12","Molecular Weight":96.17,"Monoisotopic Mass":96.09390039,Charge:0,"Easy Name":"2-Heptyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C7H12"},14295:{PUBCHEM:{CID:"14295","Compound Complexity":84.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-phenylpropan-1-ol","IUPAC Name CAS-like Style":"2-phenyl-1-propanol","IUPAC Name Markup":"2-phenylpropan-1-ol","IUPAC Name Preferred":"2-phenylpropan-1-ol","IUPAC Name Systematic":"2-phenylpropan-1-ol","IUPAC Name Traditional":"2-phenylpropan-1-ol",InChI:"1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",InChIKey:"RNDNSYIPLPAXAZ-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":136.08881501,"Molecular Formula":"C9H12O","Molecular Weight":136.19,"Monoisotopic Mass":136.08881501,Charge:0,"Easy Name":"2-phenylpropanol-1","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H12O1"},14403:{PUBCHEM:{CID:"14403","Compound Complexity":650,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione","IUPAC Name CAS-like Style":"11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione","IUPAC Name Markup":"11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione","IUPAC Name Preferred":"11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione","IUPAC Name Systematic":"11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione","IUPAC Name Traditional":"11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-quinone",InChI:"1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3",InChIKey:"OQIQSTLJSLGHID-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":312.0633881,"Molecular Formula":"C17H12O6","Molecular Weight":312.27,"Monoisotopic Mass":312.0633881,Charge:0,"Easy Name":"Aflatoxin B1","Easy Category":"Ketone"},HSDB:{"Color And Form":{Value:"Crystals ... exhibits blue fluorescence"},"Melting Point":{Value:"268 °C"},Solubility:{Value:"In water, 16.14 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"2.65X10-10 mm Hg at 25 °C (est)"}},ReducedFormula:"C17H12O6"},14421:{PUBCHEM:{CID:"14421","Compound Complexity":666,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione","IUPAC Name CAS-like Style":"11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]eicosa-1,4,9,11,13(18)-pentaene-17,19-dione","IUPAC Name Markup":"11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione","IUPAC Name Preferred":"11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione","IUPAC Name Systematic":"11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione","IUPAC Name Traditional":"11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]eicosa-1,4,9,11,13(18)-pentaene-17,19-quinone",InChI:"1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3",InChIKey:"XWIYFDMXXLINPU-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":328.05830272,"Molecular Formula":"C17H12O7","Molecular Weight":328.27,"Monoisotopic Mass":328.05830272,Charge:0,"Easy Name":"Aflatoxin G1","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Crystals ... exhibits green fluorescence"},"Melting Point":{Value:"245 °C"},Solubility:{Value:"In water, 477 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"5.86X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C17H12O7"},14432:{PUBCHEM:{CID:"14432","Compound Complexity":433,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":6,"Rotatable Bond":9,"IUPAC Name Allowed":"2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid","IUPAC Name CAS-like Style":"2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid","IUPAC Name Markup":"2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid","IUPAC Name Preferred":"2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid","IUPAC Name Systematic":"2-(2-hydroxyphenyl)-2-[2-[[1-(2-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]ethylamino]ethanoic acid","IUPAC Name Traditional":"2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid",InChI:"1S/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26)",InChIKey:"PZZHMLOHNYWKIK-UHFFFAOYSA-N","Log P":-2.2,"Exact Mass":360.13213637,"Molecular Formula":"C18H20N2O6","Molecular Weight":360.4,"Monoisotopic Mass":360.13213637,Charge:0,"Easy Name":"EDDHA","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C18H20N2O6"},14452:{PUBCHEM:{CID:"14452","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper;carbonate","IUPAC Name CAS-like Style":"Copper;carbonate","IUPAC Name Markup":"Copper;carbonate","IUPAC Name Preferred":"Copper;carbonate","IUPAC Name Systematic":"Copper;carbonate","IUPAC Name Traditional":"Cupric;carbonate",InChI:"1S/CH2O3.Cu/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"GEZOTWYUIKXWOA-UHFFFAOYSA-L","Exact Mass":122.914341,"Molecular Formula":"CCuO3","Molecular Weight":123.55,"Monoisotopic Mass":122.914341,Charge:0,"Easy Name":"Copper (II) carbonate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"For Copper(II) carbonate (USEPA/OPP Pesticide Code: 022901) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C1Cu1O3"},14462:{PUBCHEM:{CID:"14462","Compound Complexity":74.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,2,3,4-tetramethylpentane","IUPAC Name CAS-like Style":"2,2,3,4-tetramethylpentane","IUPAC Name Markup":"2,2,3,4-tetramethylpentane","IUPAC Name Preferred":"2,2,3,4-tetramethylpentane","IUPAC Name Systematic":"2,2,3,4-tetramethylpentane","IUPAC Name Traditional":"2,2,3,4-tetramethylpentane",InChI:"1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3",InChIKey:"VZFMYOCAEQDWDY-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"2, 2, 3, 4-tetramethylpentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},14480:{PUBCHEM:{CID:"14480","Compound Complexity":28.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,3-dichlorobutane","IUPAC Name CAS-like Style":"1,3-dichlorobutane","IUPAC Name Markup":"1,3-dichlorobutane","IUPAC Name Preferred":"1,3-dichlorobutane","IUPAC Name Systematic":"1,3-bis(chloranyl)butane","IUPAC Name Traditional":"1,3-dichlorobutane",InChI:"1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3",InChIKey:"QBGVARBIQGHVKR-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":126.0003056,"Molecular Formula":"C4H8Cl2","Molecular Weight":127.01,"Monoisotopic Mass":126.0003056,Charge:0,"Easy Name":"1, 3-Dichlorobutane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C4Cl2H8"},14516:{PUBCHEM:{CID:"14516","Compound Complexity":106,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Methylsulfinylbenzene","IUPAC Name CAS-like Style":"Methylsulfinylbenzene","IUPAC Name Markup":"Methylsulfinylbenzene","IUPAC Name Preferred":"Methylsulfinylbenzene","IUPAC Name Systematic":"Methylsulfinylbenzene","IUPAC Name Traditional":"Methylsulfinylbenzene",InChI:"1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3",InChIKey:"JXTGICXCHWMCPM-UHFFFAOYSA-N","Log P":.6,"Exact Mass":140.02958605,"Molecular Formula":"C7H8OS","Molecular Weight":140.2,"Monoisotopic Mass":140.02958605,Charge:0,"Easy Name":"Methylphenylsulfoxide","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C7H8O1S1"},14710:{PUBCHEM:{CID:"14710","Compound Complexity":419,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine;bromide","IUPAC Name CAS-like Style":"5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide","IUPAC Name Markup":"5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide","IUPAC Name Preferred":"5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide","IUPAC Name Systematic":"5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine;bromide","IUPAC Name Traditional":"(3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amine;bromide",InChI:"1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H",InChIKey:"ZMMJGEGLRURXTF-UHFFFAOYSA-N","Exact Mass":393.08406,"Molecular Formula":"C21H20BrN3","Molecular Weight":394.3,"Monoisotopic Mass":393.08406,Charge:0,"Easy Name":"Ethidium bromide","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"Dark red crystals from alcohol"},"Melting Point":{Value:"260-262 °C (decomposes)"},Solubility:{Value:"Solubility in 2-methoxyethanol is 20 mg/mL; ethanol, 2 mg/mL"},Taste:{Value:"Bitter tasting"},Uses:{Value:"Used as a DNA probe"},"Vapor Pressure":{Value:"1.2X10-12 mm Hg at 25 °C /Estimated/"}},ReducedFormula:"Br1C21H20N3"},14749:{PUBCHEM:{CID:"14749","Compound Complexity":864,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":9,"Rotatable Bond":3,"IUPAC Name Allowed":"3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid","IUPAC Name CAS-like Style":"3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-anthracenecarboxylic acid","IUPAC Name Markup":"3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid","IUPAC Name Preferred":"3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid","IUPAC Name Systematic":"7-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-methyl-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid","IUPAC Name Traditional":"3,5,6,8-tetrahydroxy-9,10-diketo-1-methyl-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]anthracene-2-carboxylic acid",InChI:"1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21-/m1/s1",InChIKey:"DGQLVPJVXFOQEV-NGOCYOHBSA-N","Log P":.5,"Exact Mass":492.0903907,"Molecular Formula":"C22H20O13","Molecular Weight":492.4,"Monoisotopic Mass":492.0903907,Charge:0,"Easy Name":"Carminic acid","Easy Category":"Phenolic acid"},HSDB:{"Color And Form":{Value:"Red monoclinic prisms from aqueous methanol"},"Melting Point":{Value:"136 °C (decomposes)"},pH:{Value:"pH = 4.8 (yellow); pH = 6.2 (violet)"},Solubility:{Value:"Soluble in alcohol, concentrated sulfuric acid; slightly soluble in ether; practically insoluble in petroleum ether, benzene, chloroform"},Uses:{Value:"Free acid in color photography; pigment for artists' paints; as bacteriological stain; reagent for aluminum; rarely now as acid-base indicator or oxidimetric indicator; complexing agent for cations"},"Vapor Pressure":{Value:"5.07X10-27 mm Hg at 25 °C (est)"}},ReducedFormula:"C22H20O13"},14766:{PUBCHEM:{CID:"14766","Compound Complexity":18.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;dioxoalumanuide","IUPAC Name CAS-like Style":"Sodium;dioxoalumanuide","IUPAC Name Markup":"Sodium;dioxoalumanuide","IUPAC Name Preferred":"Sodium;dioxoalumanuide","IUPAC Name Systematic":"Sodium;bis(oxidanylidene)alumanuide","IUPAC Name Traditional":"Sodium;diketoalumanuide",InChI:"1S/Al.Na.2O/q-1;+1;;",InChIKey:"IYJYQHRNMMNLRH-UHFFFAOYSA-N","Exact Mass":81.9611369,"Molecular Formula":"AlNaO2","Molecular Weight":81.97,"Monoisotopic Mass":81.9611369,Charge:0,"Easy Name":"Sodium aluminate","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"WHITE GRANULAR MASS"},"Melting Point":{Value:"1650 °C"},pH:{Value:"AQ SOLN IS STRONGLY ALKALINE"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.566; 1.595; 1.580"},Solubility:{Value:"SOL IN WATER; INSOL IN ALCOHOL"},Uses:{Value:"PRINTING ON FABRICS; SOAP; HARDENING BUILDING STONES; MFR LAKE COLORS & MILK-GLASS; SIZING PAPER; WATER SOFTENER."}},ReducedFormula:"Al1Na1O2"},14768:{PUBCHEM:{CID:"14768","Compound Complexity":26.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(oxo)silane","IUPAC Name CAS-like Style":"Dihydroxy(oxo)silane","IUPAC Name Markup":"Dihydroxy(oxo)silane","IUPAC Name Preferred":"Dihydroxy(oxo)silane","IUPAC Name Systematic":"Bis(oxidanyl)-oxidanylidene-silane","IUPAC Name Traditional":"Dihydroxy(keto)silane",InChI:"1S/H2O3Si/c1-4(2)3/h1-2H",InChIKey:"IJKVHSBPTUYDLN-UHFFFAOYSA-N","Exact Mass":77.977320458,"Molecular Formula":"H2O3Si","Molecular Weight":78.099,"Monoisotopic Mass":77.977320458,Charge:0,"Easy Name":"Metasilicic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O3Si1"},14770:{PUBCHEM:{CID:"14770","Compound Complexity":10,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gallanylidynearsane","IUPAC Name CAS-like Style":"Gallanylidynearsine","IUPAC Name Markup":"Gallanylidynearsane","IUPAC Name Preferred":"Gallanylidynearsane","IUPAC Name Systematic":"Gallanylidynearsane","IUPAC Name Traditional":"Gallanylidynearsine",InChI:"1S/As.Ga",InChIKey:"JBRZTFJDHDCESZ-UHFFFAOYSA-N","Exact Mass":143.84717,"Molecular Formula":"AsGa","Molecular Weight":144.64,"Monoisotopic Mass":143.84717,Charge:0,"Easy Name":"Gallium arsenide","Easy Category":"Binary compound"},HSDB:{"Color And Form":{Value:"Cubic crystals, dark gray with metallic sheen"},Density:{Value:"5.3176 @ 25 °C"},"Melting Point":{Value:"1238 °C"},Odor:{Value:"Garlic odor when moistened"},Solubility:{Value:"<1 mg/mg in DMSO, 95% ethanol, methanol, and acetone; soluble in hydrochloric acid"},Uses:{Value:"In semiconductor applications (transistors, solar cells, lasers)"}},ReducedFormula:"As1Ga1"},14771:{PUBCHEM:{CID:"14771","Compound Complexity":124,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/As2O5/c3-1(4)7-2(5)6",InChIKey:"COHDHYZHOPQOFD-UHFFFAOYSA-N","Exact Mass":229.81776,"Molecular Formula":"As2O5","Molecular Weight":229.84,"Monoisotopic Mass":229.81776,Charge:0,"Easy Name":"Arsenic pentoxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"White amorphous powder"},Density:{Value:"4.32 g/cu cm"},"Melting Point":{Value:"315 °C"},Solubility:{Value:"In water, 65.8 g/100 g at 20 °C"},Uses:{Value:"For arsenic pentoxide (USEPA/OPP Pesticide Code: 006802) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"As2O5"},14773:{PUBCHEM:{CID:"14773","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);peroxide","IUPAC Name CAS-like Style":"Barium(2+);peroxide","IUPAC Name Markup":"Barium(2+);peroxide","IUPAC Name Preferred":"Barium(2+);peroxide","IUPAC Name Systematic":"Barium(2+);peroxide","IUPAC Name Traditional":"Barium(2+);peroxide",InChI:"1S/Ba.O2/c;1-2/q+2;-2",InChIKey:"ZJRXSAYFZMGQFP-UHFFFAOYSA-N","Exact Mass":169.895076,"Molecular Formula":"BaO2","Molecular Weight":169.33,"Monoisotopic Mass":169.895076,Charge:0,"Easy Name":"Barium peroxide","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"800 °C (decomposes)"},"Color And Form":{Value:"White or grayish-white, heavy powder"},Density:{Value:"4.96 g/cu cm"},"Melting Point":{Value:"450 °C"},"NFPA Hazard Classification":{Value:"3-0-1"},Odor:{Value:"Odorless"},Solubility:{Value:"0.091 g/100 g water at 20 °C"},Uses:{Value:"Bleaching animal substances, vegetable fibers and straw; glass decolorizer; manufacture of hydrogen peroxide and oxygen; in cathodes; dyeing and printing textiles; with powdered aluminum in welding; in igniter compositions; oxidizing agent in org synthesis"}},ReducedFormula:"Ba1O2"},14775:{PUBCHEM:{CID:"14775","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxoberyllium","IUPAC Name CAS-like Style":"Oxoberyllium","IUPAC Name Markup":"Oxoberyllium","IUPAC Name Preferred":"Oxoberyllium","IUPAC Name Systematic":"Oxidanylideneberyllium","IUPAC Name Traditional":"Ketoberyllium",InChI:"1S/Be.O",InChIKey:"LTPBRCUWZOMYOC-UHFFFAOYSA-N","Exact Mass":25.0070977,"Molecular Formula":"BeO","Molecular Weight":25.012,"Monoisotopic Mass":25.0070977,Charge:0,"Easy Name":"Beryllium oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"3787 °C"},"Color And Form":{Value:"White hexagonal crystals"},Density:{Value:"3.01 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of beryllium oxide stem from its toxicologic properties. Toxic primarily by inhalation and dermal contact, exposure to this odorless, white, crystalline substance may occur from the processing (machining, molding, grinding, cutting, and fabrication) of beryllium oxide-containing glass and ceramics used in the manufacture of electronic equipment, aerospace equipment, and non-ferrous foundry products. Effects from exposure may include contact burns to the skin and eyes, skin ulceration, headache, weakness, chest pain, shortness of breath, pulmonary edema, and possibly death from heart failure. The OSHA PEL and ACGIH TLV are set at a TWA of 2 ug/cu m. Engineering control of process equipment (eg, enclosure and local exhaust ventilation) should be used to prevent inhalation and skin contact with beryllium oxide. In activities where over-exposure is possible, workers should wear a self-contained breathing apparatus. Protective clothing should also be worn, including protective suits, (preferably disposable, one-piece, and close-fitting at the ankles and wrists), goggles, gloves, hair covering, and overshoes. Work clothes should not be taken home for laundering. Beryllium oxide is not flammable. Shipping regulations and other DOT regulatory requirements should be consulted before transport. In cleaning spills of beryllium oxide, use a wet mop, or vacuum cleaner equipped with a high efficiency particulate filter. Do not dry sweep, dry mop, or use any such method that could disperse the dust. Before implementing land disposal of beryllium oxide waste, consult with environmental regulatory agencies for guidance."},"Melting Point":{Value:"2578 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.719, 1.733"},Solubility:{Value:"Insoluble in water; slightly soluble in acid and alkali solutions"},Uses:{Value:"Beryllium oxide is used in high technology ceramics, electronic heat sinks, electrical insulators, microwave oven components, gyroscopes, military vehicle armor, rocket nozzles crucibles, thermocouple tubing, laser structural components, substrates for high-density electrical circuits, automotive ignition systems, and radar electronic countermeasure systems."}},ReducedFormula:"Be1O1"},14777:{PUBCHEM:{CID:"14777","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dihydroxide","IUPAC Name CAS-like Style":"Calcium;dihydroxide","IUPAC Name Markup":"Calcium;dihydroxide","IUPAC Name Preferred":"Calcium;dihydroxide","IUPAC Name Systematic":"Calcium;dihydroxide","IUPAC Name Traditional":"Calcium;dihydroxide",InChI:"1S/Ca.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"AXCZMVOFGPJBDE-UHFFFAOYSA-L","Exact Mass":73.9680702,"Molecular Formula":"CaH2O2","Molecular Weight":74.09,"Monoisotopic Mass":73.9680702,Charge:0,"Easy Name":"Calcium hydroxide","Easy Category":"Alkali"},HSDB:{"Boiling Point":{Value:"Decomposes"},"Color And Form":{Value:"Crystals or soft granules or powder"},Density:{Value:"Approximately 2.2 g/cu cm"},"Melting Point":{Value:"1076 °F (decomposes) (loses water)"},Odor:{Value:"Odorless"},pH:{Value:"pH = 12.4 (aqueous solution saturated at 25 °C)"},"Refractive Index":{Value:"Index of refraction: 1.574 (alpha), 1.545 (beta)"},Solubility:{Value:"In water, 1730 mg/L at 20 °C"},Taste:{Value:"Slightly bitter alkaline taste"},Uses:{Value:"For calcium hydroxide (USEPA/OPP Pesticide Code: 075601) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Ca1H2O2"},14778:{PUBCHEM:{CID:"14778","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxocalcium","IUPAC Name CAS-like Style":"Oxocalcium","IUPAC Name Markup":"Oxocalcium","IUPAC Name Preferred":"Oxocalcium","IUPAC Name Systematic":"Oxidanylidenecalcium","IUPAC Name Traditional":"Ketocalcium",InChI:"1S/Ca.O",InChIKey:"ODINCKMPIJJUCX-UHFFFAOYSA-N","Exact Mass":55.9575055,"Molecular Formula":"CaO","Molecular Weight":56.08,"Monoisotopic Mass":55.9575055,Charge:0,"Easy Name":"Calcium oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"2850 °C"},"Color And Form":{Value:"Grey-white, cubic crystals"},Density:{Value:"3.34 g/cu cm"},"Melting Point":{Value:"2613 °C"},Odor:{Value:"Odorless"},pH:{Value:"SATURATED SOLN IN WATER IS ABOUT 12.8"},Solubility:{Value:"Reacts with water"},Uses:{Value:"For calcium oxide (USEPA/OPP Pesticide Code: 075604) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Ca1O1"},14782:{PUBCHEM:{CID:"14782","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxocadmium","IUPAC Name CAS-like Style":"Oxocadmium","IUPAC Name Markup":"Oxocadmium","IUPAC Name Preferred":"Oxocadmium","IUPAC Name Systematic":"Oxidanylidenecadmium","IUPAC Name Traditional":"Ketocadmium",InChI:"1S/Cd.O",InChIKey:"CXKCTMHTOKXKQT-UHFFFAOYSA-N","Exact Mass":129.89828,"Molecular Formula":"CdO","Molecular Weight":128.41,"Monoisotopic Mass":129.89828,Charge:0,"Easy Name":"Cadmium oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"1559 °C (sublimes)"},"Color And Form":{Value:"Brown cubic crystals"},Density:{Value:"8.15 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of cadmium oxide stem from its toxicologic properties. Toxic primarily by ingestion and inhalation, exposure to this odorless, brown crystalline substance may occur from the smelting and refining of ore, and from the smelting and refining of zinc, lead, and copper ores, spraying cadmium-containing pigments, and from its use in electroplating, as a chemical intermediate or catalyst and in ceramic glazes, silver-zinc storage batteries, and plastics. Effects from exposure may include headache, shortness of breath, chest pain, fever, kidney damage, emphysema, chronic bronchitis, and pulmonary edema (possibly resulting in death). NIOSH has recommended that cadmium (dust and fumes) be treated as a potential human carcinogen. The OSHA PEL for cadmium fume is 0.1 mg Cd/cu m, and for cadmium dust is 0.2 mg Cd/cu m. Processes and operations which may release cadmium fumes or dust should be enclosed and fitted with exhaust ventilation to maintain exposure at or below recommended levels. In activities where over-exposure is possible workers should wear a high efficiency particulate filter respirator or self-contained breathing apparatus. Protective clothing also should be worn. Preferably this should include disposable one-piece suits (close-fitting at the ankles and wrists, gloves, hair covering, and overshoes.These should be removed before leaving work. If contact should occur, immediately wash contaminated skin with large amounts of water. Do not eat, smoke, or drink in work areas. Cadmium oxide presents only a moderate fire hazard(when in the form of dust) if exposed to heat, flame, or by chemical reaction with oxidizing agents, metals, hydrogen azide, zinc, selenium, or tellurium. Wear a self-contained breathing apparatus when fighting such fires. Cadmium oxide should be stored in cool, well-ventilated areas, out of direct rays of the sun, and away from fire hazards. If hazardous concentrations of cadmium oxide are accidentally released, remove all ignition sources, ventilate the area, and collect the released material in closed containers for disposal. Before implementing land disposal of waste cadmium oxide, consult environmental regulatory agencies for guidance."},Odor:{Value:"Odorless"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.49 (LITHIUM)"},Solubility:{Value:"Soluble in dilute acid"},Uses:{Value:"High purity cadmium oxide is used as a second polarizer (in addition to silver oxide) in silver-zinc storage batteries."},"Vapor Pressure":{Value:"1 Pa at 770 °C (sublimes); 10 Pa at 866 °C (sublimes); 100 Pa at 983 °C (sublimes); 1 kPa at 1128 °C (sublimes); 10 kPa at 1314 °C (sublimes); 100 kPa at 1558 °C (sublimes)"}},ReducedFormula:"Cd1O1"},14783:{PUBCHEM:{CID:"14783","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxocadmium","IUPAC Name CAS-like Style":"Sulfanylidenecadmium","IUPAC Name Markup":"Sulfanylidenecadmium","IUPAC Name Preferred":"Sulfanylidenecadmium","IUPAC Name Systematic":"Sulfanylidenecadmium","IUPAC Name Traditional":"Thioxocadmium",InChI:"1S/Cd.S",InChIKey:"CJOBVZJTOIVNNF-UHFFFAOYSA-N","Exact Mass":145.875436,"Molecular Formula":"CdS","Molecular Weight":144.48,"Monoisotopic Mass":145.875436,Charge:0,"Easy Name":"Cadmium sulfide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Yellow-orange hexagonal crystals"},Density:{Value:"Cubic structure: 4.50 g/cu cm; hexagonal structure: 4.82 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of cadmium sulfide stem from its toxicologic properties. Toxic primarily by ingestion and inhalation, exposure to this yellow, orange, red, or brown crystalline substance may occur from its use as a pigment for coloring glass, soaps, textiles, paper, rubber, inks, ceramic glazes, fireworks, and epoxy resins. Effects from exposure may include headache, shortness of breath, chest pain, kidney damage, liver damage, emphysema, chronic bronchitis, and pulmonary edema (possibly resulting in death). Processes and operations which may release cadmium fumes or dust should be enclosed and fitted with exhaust ventilation. In activities where over-exposure is possible, workers should wear a high efficiency particulate filter respirator or self-contained breathing apparatus. Protective clothing also should be worn. Preferably this should include disposable one piece suits (close-fitting at the ankles and wrists), gloves, hair covering, and overshoes. These should be removed before leaving work. If contact should occur, immediately wash contaminated skin with large amounts of water. Do not eat, smoke, or drink in work areas. Cadmium sulfide presents only a moderate fire hazard (when in the form of dust) if exposed to heat, flame, or by chemical reaction with oxidizing agents, metals, hydrogen azide, zinc, selenium, or tellurium. Wear a self-contained breathing apparatus when fighting such fires. Cadmium sulfide should be stored in cool, well-ventilated areas, out of direct rays of sun, and away from combustibles and other fire hazards. Should hazardous concentrations of cadmium sulfide are accidentally released, remove all ignition sources, ventilate the area, and collect the released material in closed containers for disposal. Before implementing land disposal of waste cadmium sulfide, consult environmental regulatory agencies for guidance."},"Melting Point":{Value:"approximately 1480 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.506; 2.529"},Solubility:{Value:"Soluble in acid"},Uses:{Value:"Fluorescent screens, scintillation counters, rectifiers, photoconductor in xerography, transistors, photovoltaic cells, catalyst in photodecomposition of hydrogen sulfide"}},ReducedFormula:"Cd1S1"},14786:{PUBCHEM:{CID:"14786","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxocobalt","IUPAC Name CAS-like Style":"Oxocobalt","IUPAC Name Markup":"Oxocobalt","IUPAC Name Preferred":"Oxocobalt","IUPAC Name Systematic":"Oxidanylidenecobalt","IUPAC Name Traditional":"Ketocobalt",InChI:"1S/Co.O",InChIKey:"IVMYJDGYRUAWML-UHFFFAOYSA-N","Exact Mass":74.928108,"Molecular Formula":"CoO","Molecular Weight":74.933,"Monoisotopic Mass":74.928108,Charge:0,"Easy Name":"Cobalt (II) oxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"Powder or cubic or hexagonal crystals; color varies from olive green to red depending on particle size, but the commercial material is usually dark gray"},Density:{Value:"5.7-6.7 depending on preparation"},"Melting Point":{Value:"About 1935 °C"},Solubility:{Value:"In water, 4.88 mg/L at 20 °C, 3.27 mg/L at 37 °C (column elution method)"},Uses:{Value:"In pigments for ceramics; glass coloring and decolorization; oxidation catalyst for drying oils, fast-drying paints and varnishes; preparation of cobalt-metal catalysts, cobalt powder for binder in sintered tungsten carbide; in semiconductors."}},ReducedFormula:"Co1O1"},14791:{PUBCHEM:{CID:"14791","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;dihydroxide","IUPAC Name CAS-like Style":"Magnesium;dihydroxide","IUPAC Name Markup":"Magnesium;dihydroxide","IUPAC Name Preferred":"Magnesium;dihydroxide","IUPAC Name Systematic":"Magnesium;dihydroxide","IUPAC Name Traditional":"Magnesium;dihydroxide",InChI:"1S/Mg.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"VTHJTEIRLNZDEV-UHFFFAOYSA-L","Exact Mass":57.990521,"Molecular Formula":"H2MgO2","Molecular Weight":58.32,"Monoisotopic Mass":57.990521,Charge:0,"Easy Name":"Magnesium hydroxide","Easy Category":"Hydroxide"},HSDB:{"Color And Form":{Value:"Amorphous powder"},Density:{Value:"2.36 g/mL"},"Melting Point":{Value:"350 °C (decomposes)"},Odor:{Value:"Odorless"},pH:{Value:"pH = 9.5-10.5 (aqueous slurry)"},"Refractive Index":{Value:"Index of refraction: 1.559, 1.580"},Solubility:{Value:"Soluble in dilute acids"},Uses:{Value:"CHEM INT FOR DEAD-BURNED & CAUSTIC-BURNED MAGNESIA, MAGNESIUM CHLORIDE & MAGNESIUM CARBONATE; RAW MATERIAL FOR MAGNESIUM METAL; INGREDIENT IN TOOTHPASTE; NEUTRALIZATION OF ACIDS IN THE CHEMICAL INDUSTRY; ... CLARIFIER IN SUGAR REFINING"}},ReducedFormula:"H2Mg1O2"},14792:{PUBCHEM:{CID:"14792","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxomagnesium","IUPAC Name CAS-like Style":"Oxomagnesium","IUPAC Name Markup":"Oxomagnesium","IUPAC Name Preferred":"Oxomagnesium","IUPAC Name Systematic":"Oxidanylidenemagnesium","IUPAC Name Traditional":"Ketomagnesium",InChI:"1S/Mg.O",InChIKey:"CPLXHLVBOLITMK-UHFFFAOYSA-N","Exact Mass":39.9799563,"Molecular Formula":"MgO","Molecular Weight":40.305,"Monoisotopic Mass":39.9799563,Charge:0,"Easy Name":"Magnesium oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"3,600 °C"},"Color And Form":{Value:"White, very fine powder"},Density:{Value:"3.6 g/cu cm"},"Melting Point":{Value:"2825 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH = 10.3 (saturated aqueous solution)"},"Refractive Index":{Value:"Index of refraction: 1.7355 at 589 nm; 1.7283 at 750 nm"},Solubility:{Value:"Soluble in acids and ammonium salt solutions"},Uses:{Value:"Both oil base and water base fracturing fluids are being used in the fracturing industry. Water base, which includes alcohol-water mixtures and low strength acids, make up the majority of treating fluids. The common chemicals added to these fluids are polymers for viscosity development, crosslinkers for viscosity enhancement, pH control chemicals, gel breakers for polymer degradation following the treatment, surfactants, clay stabilizers, alcohol, bactericides, fluid loss additives and friction reducer. /Hydraulic fracturing/"}},ReducedFormula:"Mg1O1"},14793:{PUBCHEM:{CID:"14793","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxolead","IUPAC Name CAS-like Style":"Dioxolead","IUPAC Name Markup":"Dioxolead","IUPAC Name Preferred":"Dioxolead","IUPAC Name Systematic":"Bis(oxidanylidene)lead","IUPAC Name Traditional":"Diketolead",InChI:"1S/2O.Pb",InChIKey:"YADSGOSSYOOKMP-UHFFFAOYSA-N","Exact Mass":239.96648,"Molecular Formula":"O2Pb","Molecular Weight":239,"Monoisotopic Mass":239.96648,Charge:0,"Easy Name":"Lead dioxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"Brown, hexagonal crystals"},Density:{Value:"9.375 g/cu cm"},"Melting Point":{Value:"290 °C, decomposition"},"Refractive Index":{Value:"Index of refraction: omega 2.3 (Li /lamp/)"},Solubility:{Value:"In water, <11.3 ug/L at 25 °C, pH 6-7"},Uses:{Value:"Oxidizing agent, electrodes, lead-acid storage batteries, curing agent for polysulfide elastomers, textiles (mordant, discharge in dyeing with indigo), matches, explosives, analytical reagent."}},ReducedFormula:"O2Pb1"},14796:{PUBCHEM:{CID:"14796","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxogermane","IUPAC Name CAS-like Style":"Dioxogermane","IUPAC Name Markup":"Dioxogermane","IUPAC Name Preferred":"Dioxogermane","IUPAC Name Systematic":"Bis(oxidanylidene)germane","IUPAC Name Traditional":"Diketogermane",InChI:"1S/GeO2/c2-1-3",InChIKey:"YBMRDBCBODYGJE-UHFFFAOYSA-N","Exact Mass":105.911007,"Molecular Formula":"GeO2","Molecular Weight":104.63,"Monoisotopic Mass":105.911007,Charge:0,"Easy Name":"Germanium dioxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"COLORLESS, HEXAGONAL CRYSTALS"},Density:{Value:"4.228 AT 25 °C"},"Melting Point":{Value:"1115.0 + or - 4 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.650"},Solubility:{Value:"0.447 G IN 100 ML WATER AT 25 °C; 1.07 G IN 100 ML WATER AT 100 °C; SOL IN ACID & ALKALI; INSOL IN HYDROFLUORIC & HYDROCHLORIC ACIDS"},Uses:{Value:"Phosphors, transistors and diodes, infrared-transmitting glass"}},ReducedFormula:"Ge1O2"},14797:{PUBCHEM:{CID:"14797","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;hydroxide","IUPAC Name CAS-like Style":"Potassium;hydroxide","IUPAC Name Markup":"Potassium;hydroxide","IUPAC Name Preferred":"Potassium;hydroxide","IUPAC Name Systematic":"Potassium;hydroxide","IUPAC Name Traditional":"Potassium;hydroxide",InChI:"1S/K.H2O/h;1H2/q+1;/p-1",InChIKey:"KWYUFKZDYYNOTN-UHFFFAOYSA-M","Exact Mass":55.96644614,"Molecular Formula":"HKO","Molecular Weight":56.106,"Monoisotopic Mass":55.96644614,Charge:0,"Easy Name":"Potassium hydroxide","Easy Category":"Alkali"},HSDB:{"Boiling Point":{Value:"1327 °C"},"Color And Form":{Value:"White or colorless, orthorhombic, deliquescent pieces, lumps, or sticks having crystalline fracture"},Density:{Value:"2.044 g/cu cm"},"Melting Point":{Value:"about 360 °C; about 380 °C when anhydrous"},Odor:{Value:"Odorless"},pH:{Value:"pH = 13.5 (0.1 Molar aq soln)"},Solubility:{Value:"Solubility in water, 121 g/100 g water at 25 °C"},Uses:{Value:"For potassium hydroxide (USEPA/OPP Pesticide Code: 075602) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1 MM HG @ 714 °C"}},ReducedFormula:"H1K1O1"},14798:{PUBCHEM:{CID:"14798","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;hydroxide","IUPAC Name CAS-like Style":"Sodium;hydroxide","IUPAC Name Markup":"Sodium;hydroxide","IUPAC Name Preferred":"Sodium;hydroxide","IUPAC Name Systematic":"Sodium;hydroxide","IUPAC Name Traditional":"Sodium;hydroxide",InChI:"1S/Na.H2O/h;1H2/q+1;/p-1",InChIKey:"HEMHJVSKTPXQMS-UHFFFAOYSA-M","Exact Mass":39.99250893,"Molecular Formula":"HNaO","Molecular Weight":39.997,"Monoisotopic Mass":39.99250893,Charge:0,"Easy Name":"Sodium hydroxide","Easy Category":"Alkali"},HSDB:{"Boiling Point":{Value:"1388 °C"},"Color And Form":{Value:"White, orthogonal crystals"},Density:{Value:"2.13 g/cu cm 25 °C"},"Heat Of Vaporization":{Value:"175 kJ/mol at 1388 °C"},"Melting Point":{Value:"323 °C"},"NFPA Hazard Classification":{Value:"3-0-1"},Odor:{Value:"... Odorless ..."},pH:{Value:"pH of a 0.05% wt/wt solution about 12; 0.5% solution about 13; 5% solution about 14"},"Refractive Index":{Value:"Refractive index at 589.4 nm: 1.433 at 320 °C; 1.421 at 420 °C"},Solubility:{Value:"1 g dissolves in 7.2 mL absolute alcohol, 4.2 mL methanol; also soluble in glycerol"},Taste:{Value:"Detection - the minimum physical intensity detection by a subject where he or she is not required to identify the stimulus but just detect the existence of the stimulus - in water: 8.00X10-3 mol/L."},Uses:{Value:"Both oil base and water base fracturing fluids are being used in the fracturing industry. Water base, which includes alcohol-water mixtures and low strength acids, make up the majority of treating fluids. The common chemicals added to these fluids are polymers for viscosity development, crosslinkers for viscosity enhancement, pH control chemicals, gel breakers for polymer degradation following the treatment, surfactants, clay stabilizers, alcohol, bactericides, fluid loss additives and friction reducer. /Hydraulic fracturing/"},"Vapor Pressure":{Value:"1.82X10-21 mm Hg at 25 °C /extrapolated/"},Viscosity:{Value:"4.0 cP at 350 °C"}},ReducedFormula:"H1Na1O1"},14800:{PUBCHEM:{CID:"14800","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;sulfanide","IUPAC Name CAS-like Style":"Dipotassium;sulfanide","IUPAC Name Markup":"Dipotassium;sulfanide","IUPAC Name Preferred":"Dipotassium;sulfanide","IUPAC Name Systematic":"Dipotassium;sulfanide","IUPAC Name Traditional":"Dipotassium;bisulfide",InChI:"1S/2K.H2S/h;;1H2/q2*+1;/p-1",InChIKey:"FANSKVBLGRZAQA-UHFFFAOYSA-M","Exact Mass":110.90730918,"Molecular Formula":"HK2S+","Molecular Weight":111.27,"Monoisotopic Mass":110.90730918,Charge:1,"Easy Name":"Potassium sulfide","Easy Category":"Binary compound"},HSDB:{"Color And Form":{Value:"WHITE CUBIC CRYSTALS OR FUSED PLATES"},Density:{Value:"Density = 1.74 g/cu cm"},"Melting Point":{Value:"912 °C"},"NFPA Hazard Classification":{Value:"3-1-0"},pH:{Value:"AQ SOL ARE STRONGLY ALKALINE"},Solubility:{Value:"FREELY SOL IN WATER"},Uses:{Value:"Reagent in analytical chemistry, depilatory, medicine."}},ReducedFormula:"+1H1K2S1"},14801:{PUBCHEM:{CID:"14801","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxomanganese","IUPAC Name CAS-like Style":"Dioxomanganese","IUPAC Name Markup":"Dioxomanganese","IUPAC Name Preferred":"Dioxomanganese","IUPAC Name Systematic":"Bis(oxidanylidene)manganese","IUPAC Name Traditional":"Diketomanganese",InChI:"1S/Mn.2O",InChIKey:"NUJOXMJBOLGQSY-UHFFFAOYSA-N","Exact Mass":86.927872,"Molecular Formula":"MnO2","Molecular Weight":86.937,"Monoisotopic Mass":86.927872,Charge:0,"Easy Name":"Manganese dioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Mn1O2"},14802:{PUBCHEM:{CID:"14802","Compound Complexity":61.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trioxomolybdenum","IUPAC Name CAS-like Style":"Trioxomolybdenum","IUPAC Name Markup":"Trioxomolybdenum","IUPAC Name Preferred":"Trioxomolybdenum","IUPAC Name Systematic":"Tris(oxidanylidene)molybdenum","IUPAC Name Traditional":"Triketomolybdenum",InChI:"1S/Mo.3O",InChIKey:"JKQOBWVOAYFWKG-UHFFFAOYSA-N","Exact Mass":145.890147,"Molecular Formula":"MoO3","Molecular Weight":143.9,"Monoisotopic Mass":145.890147,Charge:0,"Easy Name":"Molybdenum trioxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"1155 °C, SUBLIMES"},"Color And Form":{Value:"WHITE OR SLIGHTLY YELLOW TO SLIGHTLY BLUISH POWDER OR GRANULES"},Density:{Value:"4.69 @ 26 °C/4 °C"},"Melting Point":{Value:"795 °C"},Odor:{Value:"None"},Solubility:{Value:"0.490 g/1000 cc water @ 28 °C"},Uses:{Value:"Pure molybdenum trioxide is used in chemical and catalyst manufacture and the technical product is added to steel as an alloying agent."}},ReducedFormula:"Mo1O3"},14803:{PUBCHEM:{CID:"14803","Compound Complexity":4,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;peroxide","IUPAC Name CAS-like Style":"Disodium;peroxide","IUPAC Name Markup":"Disodium;peroxide","IUPAC Name Preferred":"Disodium;peroxide","IUPAC Name Systematic":"Disodium;peroxide","IUPAC Name Traditional":"Disodium;peroxide",InChI:"1S/2Na.O2/c;;1-2/q2*+1;-2",InChIKey:"PFUVRDFDKPNGAV-UHFFFAOYSA-N","Exact Mass":77.9693678,"Molecular Formula":"Na2O2","Molecular Weight":77.978,"Monoisotopic Mass":77.9693678,Charge:0,"Easy Name":"Sodium peroxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"657 °C, decomp"},"Color And Form":{Value:"Yellowish-white, granular powder"},Density:{Value:"2.805 @ 20 °C"},"Melting Point":{Value:"460 °C, decomp"},Solubility:{Value:"SOLUBLE IN ACID; INSOLUBLE IN ALKALI"},Uses:{Value:"For Sodium Peroxide (USEPA/OPP PC Code: 063606) there are 0 labels match. /SRP: Not registered for current use in the U.S./"}},ReducedFormula:"Na2O2"},14805:{PUBCHEM:{CID:"14805","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxonickel","IUPAC Name CAS-like Style":"Oxonickel","IUPAC Name Markup":"Oxonickel","IUPAC Name Preferred":"Oxonickel","IUPAC Name Systematic":"Oxidanylidenenickel","IUPAC Name Traditional":"Ketonickel",InChI:"1S/Ni.O",InChIKey:"GNRSAWUEBMWBQH-UHFFFAOYSA-N","Exact Mass":73.930256,"Molecular Formula":"NiO","Molecular Weight":74.693,"Monoisotopic Mass":73.930256,Charge:0,"Easy Name":"Nickel (II) oxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"Green powder"},Density:{Value:"6.72"},"Melting Point":{Value:"1955 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.1818 (RED)"},Solubility:{Value:"0.11 MG/100 ML @ 20 °C"},Uses:{Value:"Painting on porcelain"}},ReducedFormula:"Ni1O1"},14806:{PUBCHEM:{CID:"14806","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxozinc","IUPAC Name CAS-like Style":"Oxozinc","IUPAC Name Markup":"Oxozinc","IUPAC Name Preferred":"Oxozinc","IUPAC Name Systematic":"Oxidanylidenezinc","IUPAC Name Traditional":"Ketozinc",InChI:"1S/O.Zn",InChIKey:"XLOMVQKBTHCTTD-UHFFFAOYSA-N","Exact Mass":79.924056,"Molecular Formula":"OZn","Molecular Weight":81.4,"Monoisotopic Mass":79.924056,Charge:0,"Easy Name":"Zinc oxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"White or yellowish-white powder; hexagonal crystals"},Density:{Value:"5.6 g/cu cm"},"Melting Point":{Value:"1974 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH = 6.95 (American process zinc oxide); 7.37 (French process)"},"Refractive Index":{Value:"Index of refraction: 2.0041, 2.0203"},Solubility:{Value:"Insoluble in water"},Taste:{Value:"Bitter taste"},Uses:{Value:"For zinc oxide (USEPA/OPP Pesticide Code: 088502) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"0 mm Hg (approx)"}},ReducedFormula:"O1Zn1"},14810:{PUBCHEM:{CID:"14810","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/O3P2/c1-4-3-5-2",InChIKey:"XDJWZONZDVNKDU-UHFFFAOYSA-N","Log P":-1,"Exact Mass":109.93226786,"Molecular Formula":"O3P2","Molecular Weight":109.946,"Monoisotopic Mass":109.93226786,Charge:0,"Easy Name":"Diphosphorus trioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O3P2"},14811:{PUBCHEM:{CID:"14811","Compound Complexity":61.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trioxotungsten","IUPAC Name CAS-like Style":"Trioxotungsten","IUPAC Name Markup":"Trioxotungsten","IUPAC Name Preferred":"Trioxotungsten","IUPAC Name Systematic":"Tris(oxidanylidene)tungsten","IUPAC Name Traditional":"Triketotungsten",InChI:"1S/3O.W",InChIKey:"ZNOKGRXACCSDPY-UHFFFAOYSA-N","Exact Mass":231.935677,"Molecular Formula":"O3W","Molecular Weight":231.8,"Monoisotopic Mass":231.935677,Charge:0,"Easy Name":"Tungsten trioxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"Canary yellow, heavy powder; dark orange when heated, regaining the original color on cooling"},Density:{Value:"7.2"},"Melting Point":{Value:"1472 °C"},Solubility:{Value:"Insol in water; sol in caustic alkalies; very slightly sol in acids"},Uses:{Value:"Mfr of tungstates which are used for x-ray screens and for fireproofing fabrics."}},ReducedFormula:"O3W1"},14812:{PUBCHEM:{CID:"14812","Compound Complexity":327,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4,6,8,9,10-hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide","IUPAC Name CAS-like Style":"2,4,6,8,9,10-hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide","IUPAC Name Markup":"2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide","IUPAC Name Preferred":"2,4,6,8,9,10-hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide","IUPAC Name Systematic":"2,4,6,8,9,10-hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide","IUPAC Name Traditional":"2,4,6,8,9,10-hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide",InChI:"1S/O10P4/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12",InChIKey:"DLYUQMMRRRQYAE-UHFFFAOYSA-N","Log P":-2.4,"Exact Mass":283.84419419,"Molecular Formula":"O10P4","Molecular Weight":283.89,"Monoisotopic Mass":283.84419419,Charge:0,"Easy Name":"Phosphorus pentoxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"/There are/ several crystalline & amorphous modifications; commercial form, hexagonal"},Density:{Value:"2.30"},"Heat Of Vaporization":{Value:"22.7 kcal/mole of P4O10"},"Melting Point":{Value:"562 °C"},Solubility:{Value:"SOL IN SULFURIC ACID; INSOL IN ACETONE & AMMONIA"},Uses:{Value:"Prepn of phosphorus oxychloride & metaphosphoric acid; acrylate esters; surfactants; sugar refining; laboratory reagent; fire extinguishing; special glasses"},"Vapor Pressure":{Value:"1 MM HG AT 384 °C (SOLID)"}},ReducedFormula:"O10P4"},14813:{PUBCHEM:{CID:"14813","Compound Complexity":124,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(dioxo-lambda5-stibanyl)oxy-dioxo-lambda5-stibane","IUPAC Name CAS-like Style":"Dioxostiboranyloxy(dioxo)stiborane","IUPAC Name Markup":"(dioxo-λ5-stibanyl)oxy-dioxo-λ5-stibane","IUPAC Name Preferred":"(dioxo-lambda5-stibanyl)oxy-dioxo-lambda5-stibane","IUPAC Name Systematic":"[bis(oxidanylidene)-lambda5-stibanyl]oxy-bis(oxidanylidene)-lambda5-stibane","IUPAC Name Traditional":"Diketostiboranyloxy(diketo)stiborane",InChI:"1S/5O.2Sb",InChIKey:"LJCFOYOSGPHIOO-UHFFFAOYSA-N","Exact Mass":323.7826,"Molecular Formula":"O5Sb2","Molecular Weight":323.52,"Monoisotopic Mass":321.78219,Charge:0,"Easy Name":"Antimony pentoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O5Sb2"},14814:{PUBCHEM:{CID:"14814","Compound Complexity":124,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxovanadiooxy(dioxo)vanadium","IUPAC Name CAS-like Style":"Dioxovanadiooxy(dioxo)vanadium","IUPAC Name Markup":"Dioxovanadiooxy(dioxo)vanadium","IUPAC Name Preferred":"Dioxovanadiooxy(dioxo)vanadium","IUPAC Name Systematic":"Bis(oxidanylidene)vanadiooxy-bis(oxidanylidene)vanadium","IUPAC Name Traditional":"Diketovanadiooxy(diketo)vanadium",InChI:"1S/5O.2V",InChIKey:"GNTDGMZSJNCJKK-UHFFFAOYSA-N","Exact Mass":181.862487,"Molecular Formula":"O5V2","Molecular Weight":181.88,"Monoisotopic Mass":181.862487,Charge:0,"Easy Name":"Vanadium (V) oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"1750 °C (decomp)"},"Color And Form":{Value:"Yellow to rust-brown orthorhombic crystals"},Density:{Value:"3.654 at 21.7 °C, relative density to water at 4 °C"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of vanadium pentoxide stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this odorless, yellow-to-orange, crystalline substance may occur from its use as an intermediate for vanadium alloys and compounds, as an oxidation catalyst (eg, in manufacture of sulfuric acid, and in automobile catalytic converters), in photographic development, in dyeing textiles, in ceramic coloring, from vanadium mining and processing, and from the cleaning of oil-fired boilers, combustion chambers, gas turbines, and firebrick linings. Effects from exposure may include burns to the skin and eyes,tracheitis, bronchitis, emphysema, pulmonary edema, or bronchial pneumonia. The American Conference of Governmental Industrial Hygienists (ACGIH) has established a threshold limit value time-weighted average (TLV TWA) of 0.05 mg/cu m for vanadium fume and respirable dust (as vanadium pentoxide). Engineering controls (including process enclosure and exhaust ventilation) should be used to limit vanadium pentoxide exposure. In activities and situations where over-exposure may occur, wear protective clothing specifically recommended by the shipper or producer to prevent skin contact with vanadium pentoxide, and a self-contained breathing apparatus. Safety showers and eyewash fountains should be located in areas where exposures are likely. If contact should occur, flush exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin with soap and water. Contaminated clothing should be removed and left at the work site for cleaning. While vanadium pentoxide does not ignite easily, it may burn with the production of acrid smoke and fumes. Also, containers may explode in the heat of a fire. For fires involving vanadium pentoxide, extinguish with dry chemical, CO2, Halon, water spray, fog, or standard foam. Fight the fire from a maximum distance, and dike fire control water to prevent the material from entering water sources or sewers. Vanadium pentoxide should be stored in tightly closed containers, away from moisture, heat, sparks, or flames, and incompatibles such as chlorine trifluoride, lithium, or peroxyformic acid. Vanadium pentoxide may be shipped domestically via air, rail, road, or water. Small spills of vanadium pentoxide may be collected and placed in clean, dry containers for later disposal (liquid solutions are taken up with sand or noncombustible absorbent). Large spills on land should be contained in excavated pits or other holding areas. Solids should be covered with a plastic sheet. Spills into bodies of water should be neutralized with agricultural lime, crushed limestone, or sodium bicarbonate, and mechanical dredges used to remove immobilized masses."},"Melting Point":{Value:"681 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH = 2.7, saturated aqueous solution at 20 °C"},"Refractive Index":{Value:"Index of refraction: 1.46, 1.52, 1.76"},Solubility:{Value:"In water, 0.07 g/100 g water at 25 °C"},Uses:{Value:"Chemical intermediate; principally a chemical intermediate for vanadium alloys & compounds; oxidation catalyst in many industrial synthesis processes; catalyst in manufacture of sulfuric acid (contact process); oxidation catalyst in automobile catalytic converters; additive to glass for screening UV radiation."},"Vapor Pressure":{Value:"Approximately 0 mm Hg at 68 °F"}},ReducedFormula:"O5V2"},14817:{PUBCHEM:{CID:"14817","Compound Complexity":327,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3,5,7-tetrathioxo-2,4,6,8,9,10-hexathia-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name CAS-like Style":"1,3,5,7-tetrakis(sulfanylidene)-2,4,6,8,9,10-hexathia-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name Markup":"1,3,5,7-tetrakis(sulfanylidene)-2,4,6,8,9,10-hexathia-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name Preferred":"1,3,5,7-tetrakis(sulfanylidene)-2,4,6,8,9,10-hexathia-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name Systematic":"1,3,5,7-tetrakis(sulfanylidene)-2,4,6,8,9,10-hexathia-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name Traditional":"1,3,5,7-tetrathioxo-2,4,6,8,9,10-hexathia-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane",InChI:"1S/P4S10/c5-1-9-2(6)12-3(7,10-1)14-4(8,11-1)13-2",InChIKey:"CYQAYERJWZKYML-UHFFFAOYSA-N","Log P":6.9,"Exact Mass":443.6157597,"Molecular Formula":"P4S10","Molecular Weight":444.6,"Monoisotopic Mass":443.6157597,Charge:0,"Easy Name":"Phosphorus pentasulfide","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"515 °C"},"Color And Form":{Value:"Gray to yellow-green crystals"},Density:{Value:"2.03 g/cu cm"},"Heat Of Vaporization":{Value:"178 kJ/mol"},"Melting Point":{Value:"285 °C"},"NFPA Hazard Classification":{Value:"2-1-2- ̵W̵"},Odor:{Value:"Odor of rotten eggs"},Solubility:{Value:"INSOL IN COLD WATER; SOL IN CARBON DISULFIDE: 0.22 G/100 CC."},Uses:{Value:"In manufacture of lube oil additives and pesticides... safety matches, ignition compounds, and for introducing sulfur into organic compounds."}},ReducedFormula:"P4S10"},14818:{PUBCHEM:{CID:"14818","Compound Complexity":94.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane","IUPAC Name CAS-like Style":"3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane","IUPAC Name Markup":"3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane","IUPAC Name Preferred":"3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane","IUPAC Name Systematic":"3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane","IUPAC Name Traditional":"3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane",InChI:"1S/P4S3/c5-1-2-3(1)7-4(5)6-2",InChIKey:"RWQFRHVDPXXRQN-UHFFFAOYSA-N","Log P":.9,"Exact Mass":219.81126152,"Molecular Formula":"P4S3","Molecular Weight":220.1,"Monoisotopic Mass":219.81126152,Charge:0,"Easy Name":"Phosphorus sesquisulfide","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"407.5 °C"},"Color And Form":{Value:"Yellow-green orthogonal crystals"},Density:{Value:"2.03 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"63.6 kJ/mol"},"Melting Point":{Value:"172.5 °C"},"NFPA Hazard Classification":{Value:"0-1-1"},Solubility:{Value:"Solubility in benzene = 2.5 g/100g at 17 °C, 17 g/100g at 80 °C"},Uses:{Value:"Used in the match industry in the manufacture of strikeanywhere matches."}},ReducedFormula:"P4S3"},14819:{PUBCHEM:{CID:"14819","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxolead","IUPAC Name CAS-like Style":"Sulfanylidenelead","IUPAC Name Markup":"Sulfanylidenelead","IUPAC Name Preferred":"Sulfanylidenelead","IUPAC Name Systematic":"Sulfanylidenelead","IUPAC Name Traditional":"Thioxolead",InChI:"1S/Pb.S",InChIKey:"XCAUINMIESBTBL-UHFFFAOYSA-N","Exact Mass":239.94872,"Molecular Formula":"PbS","Molecular Weight":239,"Monoisotopic Mass":239.94872,Charge:0,"Easy Name":"Lead (II) sulfide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1281 °C (sublimes)"},"Color And Form":{Value:"Silvery, metallic crystals or black powder"},Density:{Value:"7.60 g/cu cm"},"Melting Point":{Value:"1113 °C"},"Refractive Index":{Value:"Index of refraction: 3.921"},Solubility:{Value:"0.01244 g/100 mL water at 20 °C"},Uses:{Value:"... friction additive in clutch facings and disc brakes."},"Vapor Pressure":{Value:"1 Pa at 656 °C; 10 Pa at 741 °C; 100 Pa at 838 °C; 1kPa at 953 °C; 10 kPa at 1088 °C; 100 kPa at 1280 °C"}},ReducedFormula:"Pb1S1"},14821:{PUBCHEM:{CID:"14821","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxozinc","IUPAC Name CAS-like Style":"Sulfanylidenezinc","IUPAC Name Markup":"Sulfanylidenezinc","IUPAC Name Preferred":"Sulfanylidenezinc","IUPAC Name Systematic":"Sulfanylidenezinc","IUPAC Name Traditional":"Thioxozinc",InChI:"1S/S.Zn",InChIKey:"WGPCGCOKHWGKJJ-UHFFFAOYSA-N","Exact Mass":95.901213,"Molecular Formula":"SZn","Molecular Weight":97.4,"Monoisotopic Mass":95.901213,Charge:0,"Easy Name":"Zinc sulfide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Exists in two crystalline forms, alpha (wurtzite) and beta (sphalerite)"},Density:{Value:"4.04 g/cu cm (sphalerite); 4.09 g/cu cm (wurtzite)"},"Melting Point":{Value:"1700 °C"},"Refractive Index":{Value:"Index of refraction: 2.356, 2.378 (alpha); 2.368 (beta)"},Solubility:{Value:"Insol in alkalies; sol in dil mineral acids"},Uses:{Value:'Pigment for paints, oilcloths, linoleum, leather, dental rubber (especially in form of lithopone); mixed with zinc oxide as "mineral white." Anhydrous form is used in x-ray screens and with a trace of a radium or mesothorium salt in luminous dials of watches; also television screens'}},ReducedFormula:"S1Zn1"},14823:{PUBCHEM:{CID:"14823","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dithioxomolybdenum","IUPAC Name CAS-like Style":"Bis(sulfanylidene)molybdenum","IUPAC Name Markup":"Bis(sulfanylidene)molybdenum","IUPAC Name Preferred":"Bis(sulfanylidene)molybdenum","IUPAC Name Systematic":"Bis(sulfanylidene)molybdenum","IUPAC Name Traditional":"Dithioxomolybdenum",InChI:"1S/Mo.2S",InChIKey:"CWQXQMHSOZUFJS-UHFFFAOYSA-N","Exact Mass":161.849546,"Molecular Formula":"MoS2","Molecular Weight":160.1,"Monoisotopic Mass":161.849546,Charge:0,"Easy Name":"Molybdenum disulfide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"450 °C, sublimes"},"Color And Form":{Value:"LEAD-GRAY, LUSTROUS POWDER"},Density:{Value:"5.06 @ 15 °C/15 °C"},"Melting Point":{Value:"2375 °C"},Solubility:{Value:"INSOL IN WATER OR DIL ACIDS"},Uses:{Value:"Lubricants in greases, oil dispersions, resin bonded films, dry powders, especially at extreme pressures and high vacua"}},ReducedFormula:"Mo1S2"},14824:{PUBCHEM:{CID:"14824","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxomanganiooxy)manganese","IUPAC Name CAS-like Style":"Oxo(oxomanganiooxy)manganese","IUPAC Name Markup":"Oxo(oxomanganiooxy)manganese","IUPAC Name Preferred":"Oxo(oxomanganiooxy)manganese","IUPAC Name Systematic":"Oxidanylidene(oxidanylidenemanganiooxy)manganese","IUPAC Name Traditional":"Keto(ketomanganiooxy)manganese",InChI:"1S/2Mn.3O",InChIKey:"GEYXPJBPASPPLI-UHFFFAOYSA-N","Exact Mass":157.86083,"Molecular Formula":"Mn2O3","Molecular Weight":157.874,"Monoisotopic Mass":157.86083,Charge:0,"Easy Name":"Manganese (III) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Mn2O3"},14827:{PUBCHEM:{CID:"14827","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxolead","IUPAC Name CAS-like Style":"Oxolead","IUPAC Name Markup":"Oxolead","IUPAC Name Preferred":"Oxolead","IUPAC Name Systematic":"Oxidanylidenelead","IUPAC Name Traditional":"Ketolead",InChI:"1S/O.Pb",InChIKey:"YEXPOXQUZXUXJW-UHFFFAOYSA-N","Exact Mass":223.97157,"Molecular Formula":"OPb","Molecular Weight":223,"Monoisotopic Mass":223.97157,Charge:0,"Easy Name":"Lead (II) oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"1472 °C"},"Color And Form":{Value:"Exists in 2 forms: red to reddish-yellow, tetragonal crystals at ordinary temperature; yellow, orthorhombic crystals, stable above 489 °C"},Density:{Value:"9.64 g/cu cm"},"Melting Point":{Value:"887 °C"},pH:{Value:"Strong base"},Solubility:{Value:"In water: 0.0504 g/L at 25 °C (alpha form); 0.1065 g/L at 25 °C (beta form)"},Uses:{Value:"For lead oxide (USEPA/OPP Pesticide Code: 048002) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1 Pa at 724 °C; 10 Pa at 816 °C; 100 Pa at 928 °C; 1kPa at 1065 °C; 10 kPa at 1241 °C; 100 kPa at 1471 °C"}},ReducedFormula:"O1Pb1"},14829:{PUBCHEM:{CID:"14829","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxocopper","IUPAC Name CAS-like Style":"Oxocopper","IUPAC Name Markup":"Oxocopper","IUPAC Name Preferred":"Oxocopper","IUPAC Name Systematic":"Oxidanylidenecopper","IUPAC Name Traditional":"Ketocopper",InChI:"1S/Cu.O",InChIKey:"QPLDLSVMHZLSFG-UHFFFAOYSA-N","Exact Mass":78.924512,"Molecular Formula":"CuO","Molecular Weight":79.55,"Monoisotopic Mass":78.924512,Charge:0,"Easy Name":"Copper (II) oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"1026 °C (decomp)"},"Color And Form":{Value:"Black to brownish-black amorphous or crystalline powder or granules"},Density:{Value:"6.315 @ 14 °C/4 °C"},"Melting Point":{Value:"1326 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.63 (BETA)"},Solubility:{Value:"Practically insol in water, alc; sol in dilute acids, alkali cyanides, ammonium carbonate soln; slowly sol in ammonia"},Uses:{Value:"For Copper (II) oxide (USEPA/OPP Pesticide Code: 042401) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cu1O1"},14831:{PUBCHEM:{CID:"14831","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxocopper","IUPAC Name CAS-like Style":"Sulfanylidenecopper","IUPAC Name Markup":"Sulfanylidenecopper","IUPAC Name Preferred":"Sulfanylidenecopper","IUPAC Name Systematic":"Sulfanylidenecopper","IUPAC Name Traditional":"Thioxocopper",InChI:"1S/Cu.S",InChIKey:"BWFPGXWASODCHM-UHFFFAOYSA-N","Exact Mass":94.901668,"Molecular Formula":"CuS","Molecular Weight":95.61,"Monoisotopic Mass":94.901668,Charge:0,"Easy Name":"Copper monosulfide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Black powder or lumps"},Density:{Value:"4.76"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.45"},Solubility:{Value:"0.000033 G/100 CC WATER @ 18 °C."},Uses:{Value:"In antifouling paints, in prepn of mixed catalysts; in development of aniline black dye in textile printing."}},ReducedFormula:"Cu1S1"},14832:{PUBCHEM:{CID:"14832","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxocobalt","IUPAC Name CAS-like Style":"Sulfanylidenecobalt","IUPAC Name Markup":"Sulfanylidenecobalt","IUPAC Name Preferred":"Sulfanylidenecobalt","IUPAC Name Systematic":"Sulfanylidenecobalt","IUPAC Name Traditional":"Thioxocobalt",InChI:"1S/Co.S",InChIKey:"VRRFSFYSLSPWQY-UHFFFAOYSA-N","Exact Mass":90.905265,"Molecular Formula":"CoS","Molecular Weight":91,"Monoisotopic Mass":90.905265,Charge:0,"Easy Name":"Cobalt sulfide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Black amorphous powder"},Density:{Value:"5.45 g/cu cm"},"Melting Point":{Value:"1117 °C"},Solubility:{Value:"Insoluble in water"},Uses:{Value:"Catalyst for hydrogenation or hydrodesulfurization."}},ReducedFormula:"Co1S1"},14834:{PUBCHEM:{CID:"14834","Compound Complexity":18.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Triplumbous;dicarbonate;dihydroxide","IUPAC Name CAS-like Style":"Lead(2+);dicarbonate;dihydroxide","IUPAC Name Markup":"Lead(2+);dicarbonate;dihydroxide","IUPAC Name Preferred":"Lead(2+);dicarbonate;dihydroxide","IUPAC Name Systematic":"Lead(2+);dicarbonate;dihydroxide","IUPAC Name Traditional":"Triplumbous;dicarbonate;dihydroxide",InChI:"1S/2CH2O3.2H2O.3Pb/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);2*1H2;;;/q;;;;3*+2/p-6",InChIKey:"RYZCLUQMCYZBJQ-UHFFFAOYSA-H","Exact Mass":775.90274,"Molecular Formula":"C2H2O8Pb3","Molecular Weight":776,"Monoisotopic Mass":777.90492,Charge:0,"Easy Name":"Lead (II) carbonate basic","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White hexagonal crystals"},Density:{Value:"6.14 g/cu cm"},"Melting Point":{Value:"400 °C, decomposes"},Solubility:{Value:"Sol in acetic acid"},Uses:{Value:"Exterior paint pigment, ceramic glazes"}},ReducedFormula:"C2H2O8Pb3"},14910:{PUBCHEM:{CID:"14910","Compound Complexity":66,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,4-diethylcyclohexane","IUPAC Name CAS-like Style":"1,4-diethylcyclohexane","IUPAC Name Markup":"1,4-diethylcyclohexane","IUPAC Name Preferred":"1,4-diethylcyclohexane","IUPAC Name Systematic":"1,4-diethylcyclohexane","IUPAC Name Traditional":"1,4-diethylcyclohexane",InChI:"1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3",InChIKey:"SMAKEJNOUFLEEJ-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":140.15650064,"Molecular Formula":"C10H20","Molecular Weight":140.27,"Monoisotopic Mass":140.15650064,Charge:0,"Easy Name":"1, 4-Diethylcyclohexane","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C10H20"},14915:{PUBCHEM:{CID:"14915","Compound Complexity":61.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trioxochromium","IUPAC Name CAS-like Style":"Trioxochromium","IUPAC Name Markup":"Trioxochromium","IUPAC Name Preferred":"Trioxochromium","IUPAC Name Systematic":"Tris(oxidanylidene)chromium","IUPAC Name Traditional":"Triketochromium",InChI:"1S/Cr.3O",InChIKey:"WGLPBDUCMAPZCE-UHFFFAOYSA-N","Exact Mass":99.925249,"Molecular Formula":"CrO3","Molecular Weight":99.994,"Monoisotopic Mass":99.925249,Charge:0,"Easy Name":"Chromium trioxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"Approximately 250 °C decomposes"},"Color And Form":{Value:"Dark red, bipyramidal prismatic crystals, flakes or granular powder"},Density:{Value:"2.70"},"Melting Point":{Value:"197 °C"},Odor:{Value:"Odorless"},pH:{Value:"Dissolves in water to form a weak acid"},Solubility:{Value:"In water, 169 g/100 g water at 25 °C"},Uses:{Value:"A major use of chromium trioxide has been in chromium plating, particularly in the production of automobiles. Uses in other metal-finishing operations include aluminium anodizing, particularly on military aircraft; chemical conversion coatings, which provide both decoration and corrosion protection; and the production of phosphate films on galvanized iron or steel. Other uses of chromium trioxide are as a wood preservative, as a corrosion inhibitor for ferrous alloys in recirculating water systems, as an oxidant in organic synthesis and in catalyst manufacture. Small amounts are used to modify the properties of basic magnesite refractories."},"Vapor Pressure":{Value:"Very low"}},ReducedFormula:"Cr1O3"},14917:{PUBCHEM:{CID:"14917","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrogen fluoride","IUPAC Name CAS-like Style":"Fluorane","IUPAC Name Markup":"Fluorane","IUPAC Name Preferred":"Fluorane","IUPAC Name Systematic":"Fluorane","IUPAC Name Traditional":"Hydrogen fluoride",InChI:"1S/FH/h1H",InChIKey:"KRHYYFGTRYWZRS-UHFFFAOYSA-N","Log P":.6,"Exact Mass":20.006228195,"Molecular Formula":"FH","Molecular Weight":20.0064,"Monoisotopic Mass":20.006228195,Charge:0,"Easy Name":"Hydrofluoric acid","Easy Category":"Inorganic acids"},HSDB:{"Boiling Point":{Value:"19.51 °C; 2.5 °C at 400 mm Hg; -13.2 °C at 200 mm Hg; -28.2 °C at 100 mm Hg; -45.0 °C at 40 mm Hg; -56.0 °C at 20 mm Hg; -74.7 °C at 5 mm Hg"},"Color And Form":{Value:"Colorless gas, fumes in air"},"Critical Temperature And Pressure":{Value:"Critical temperature: 188.0 °C; critical pressure: 6.48 MPa"},Density:{Value:"1.002 at 0 °C/4 °C"},"Heat Of Vaporization":{Value:"7.493 kJ/mol at 101.3 kPa"},"Melting Point":{Value:"-83.57 °C"},Odor:{Value:"... Strong, irritating odor ..."},pH:{Value:"In water a weak acid"},"Refractive Index":{Value:"Index of refraction, liquid: 1.1574 at 25 °C, 589.3 nm"},Solubility:{Value:"Miscible with water"},Uses:{Value:"For hydrogen fluoride (USEPA/OPP Pesticide Code: 45601) there are 0 label matches. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"1.27 (Air = 1) at 34 °C"},"Vapor Pressure":{Value:"917 mm Hg at 25 °C"}},ReducedFormula:"F1H1"},14923:{PUBCHEM:{CID:"14923","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;hydroxide","IUPAC Name CAS-like Style":"Ammonium;hydroxide","IUPAC Name Markup":"Azanium;hydroxide","IUPAC Name Preferred":"Azanium;hydroxide","IUPAC Name Systematic":"Azanium;hydroxide","IUPAC Name Traditional":"Ammonium;hydroxide",InChI:"1S/H3N.H2O/h1H3;1H2",InChIKey:"VHUUQVKOLVNVRT-UHFFFAOYSA-N","Exact Mass":35.037113785,"Molecular Formula":"H5NO","Molecular Weight":35.046,"Monoisotopic Mass":35.037113785,Charge:0,"Easy Name":"Ammonium hydroxide","Easy Category":"Inorganic matter"},HSDB:{"Color And Form":{Value:"Colorless liquid"},Density:{Value:"About 0.90 @ 25 °C/25 °C"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of ammonium hydroxide stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this colorless, intensely pungent-smelling liquid may occur from its use in fertilizers, dyes, explosives, plastics, cleansing agents, fibers, and resins. Effects from exposure may include extreme irritation of the eyes and mucous membranes, contact burns to the skin and eyes, and life-threatening pulmonary edema. In activities and situations where over-exposure is possible, wear a self-contained breathing apparatus, and protective clothing (including full face protection). If contact should occur, immediately flush affected skin or eyes with running water for at least 15 minutes, and remove contaminated clothing and shoes at the site. While ammonium hydroxide does not ignite easily, it can burn with the production of irritating or poisonous gases. Fires involving ammonium hydroxide may be extinguished with dry chemical, CO2, Halon, water spray, fog, or standard foam. Ammonium hydroxide may be shipped via air, rail, road, and water, in containers bearing warning labels that differ depending upon the density, specific gravity, and percent composition of the solution being shipped. Consult the regulatory requirements of the US Department of Transportation before shipping. Ammonium hydroxide should be stored in cool, well-ventilated areas, in strong glass, plastic, or rubber stoppered bottles, away from heavy metals, acids, and combustibles (eg, wood, paper, oil). For small spills of ammonium hydroxide, first isolate the spill area, then take up with sand or other noncombustible absorbent and place into a container for later disposal. Large spills should be diked far ahead of the spill, taking care to stay out of low areas. Before implementing land disposal of waste ammonium hydroxide, consult with environmental regulatory agencies for guidance."},Odor:{Value:"Intense, pungent, suffocating odor"},pH:{Value:"pH= 11.6 (1.0 N solution); 11.1 (0.1 N solution); 10.6 (0.01 N solution)"},Solubility:{Value:"Exists only in solution"},Taste:{Value:"Acrid taste"},Uses:{Value:"Textiles; mfr of rayon, rubber; condensation polymerization; pharmaceuticals; ceramics; photography (development of latent images); ammonia soaps; lubricants; fireproofing wood; ink mfr; ammonium cmpd; saponifying fats & oils; org synth; detergent; household cleanser; food additive"},"Vapor Pressure":{Value:"2160 mm Hg @ 25 °C"}},ReducedFormula:"H5N1O1"},14935:{PUBCHEM:{CID:"14935","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;fluoride;hydrofluoride","IUPAC Name CAS-like Style":"Ammonium;fluoride;hydrofluoride","IUPAC Name Markup":"Azanium;fluoride;hydrofluoride","IUPAC Name Preferred":"Azanium;fluoride;hydrofluoride","IUPAC Name Systematic":"Azanium;fluoride;hydrofluoride","IUPAC Name Traditional":"Ammonium;fluoride;hydrofluoride",InChI:"1S/2FH.H3N/h2*1H;1H3",InChIKey:"KVBCYCWRDBDGBG-UHFFFAOYSA-N","Exact Mass":57.03900549,"Molecular Formula":"F2H5N","Molecular Weight":57.044,"Monoisotopic Mass":57.03900549,Charge:0,"Easy Name":"Ammonium bifluoride","Easy Category":"Acid salt"},HSDB:{"Boiling Point":{Value:"240 °C (decomposes)"},"Color And Form":{Value:"Rhombic or tetragonal crystals"},Density:{Value:"1.50 g/cu cm"},"Heat Of Vaporization":{Value:"65.3 kJ/mol"},"Melting Point":{Value:"125.6 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH = 3.5 (5% solution)"},"Refractive Index":{Value:"Index of refraction = 1.390"},Solubility:{Value:"Solubility in 90% ethanol = 1.73X10+5 mg/L"},Uses:{Value:'Manufacture of magnesium and magnesium alloys; in brightening of aluminum; for purifying and cleansing various parts of beer-dispensing apparatus, tubes, etc., sterilizing dairy and other food equipment; in glass and porcelain industries; as mordant for aluminum; as a "sour" in laundering cloth. In lab production of hydrogen fluoride.'}},ReducedFormula:"F2H5N1"},14940:{PUBCHEM:{CID:"14940","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxomanganese","IUPAC Name CAS-like Style":"Oxomanganese","IUPAC Name Markup":"Oxomanganese","IUPAC Name Preferred":"Oxomanganese","IUPAC Name Systematic":"Oxidanylidenemanganese","IUPAC Name Traditional":"Ketomanganese",InChI:"1S/Mn.O",InChIKey:"VASIZKWUTCETSD-UHFFFAOYSA-N","Exact Mass":70.932958,"Molecular Formula":"MnO","Molecular Weight":70.937,"Monoisotopic Mass":70.932958,Charge:0,"Easy Name":"Manganese (II) oxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"Green cubic crystals or powder"},Density:{Value:"5.37 g/cu cm"},"Melting Point":{Value:"1840 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.16"},Solubility:{Value:"Sol in acid; insol in water"},Uses:{Value:"Textile printing; analytical chemistry; catalyst in manufacture of allyl alcohol; ceramics; paints; colored glass; bleaching tallow; animal feeds; fertilizers; food additive and dietary supplement"}},ReducedFormula:"Mn1O1"},14942:{PUBCHEM:{CID:"14942","Compound Complexity":19.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Silicic acid","IUPAC Name CAS-like Style":"Silicic acid","IUPAC Name Markup":"Silicic acid","IUPAC Name Preferred":"Silicic acid","IUPAC Name Systematic":"Silicic acid","IUPAC Name Traditional":"Orthosilicic acid",InChI:"1S/H4O4Si/c1-5(2,3)4/h1-4H",InChIKey:"RMAQACBXLXPBSY-UHFFFAOYSA-N","Exact Mass":95.987885142,"Molecular Formula":"H4O4Si","Molecular Weight":96.11,"Monoisotopic Mass":95.987885142,Charge:0,"Easy Name":"Silicic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H4O4Si1"},14982:{PUBCHEM:{CID:"14982","Compound Complexity":1730,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":8,"Rotatable Bond":7,"IUPAC Name Allowed":"(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",InChI:"1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1",InChIKey:"LPLVUJXQOOQHMX-QWBHMCJMSA-N","Log P":3.7,"Exact Mass":822.40378591,"Molecular Formula":"C42H62O16","Molecular Weight":822.9,"Monoisotopic Mass":822.40378591,Charge:0,"Easy Name":"Glycyrrhizin","Easy Category":"Glycoside"},HSDB:{"Color And Form":{Value:"Crystals from glacial acetic acid"},"Melting Point":{Value:"220 °C decomposes"},Solubility:{Value:"Freely sol in hot water, alcohol; practically insol in ether"},Taste:{Value:"Intensely sweet taste"},Uses:{Value:"Foaming agent in root beer and mouthwashes, as sweetener in chocolate, cocoa, and chewing gum; and as a taste-masking agent in pharmaceuticals such as aspirin. /Ammoniated derivative/"}},ReducedFormula:"C42H62O16"},14985:{PUBCHEM:{CID:"14985","Compound Complexity":503,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol","IUPAC Name CAS-like Style":"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol","IUPAC Name Markup":"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol","IUPAC Name Preferred":"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol","IUPAC Name Systematic":"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol","IUPAC Name Traditional":"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",InChI:"1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",InChIKey:"GVJHHUAWPYXKBD-IEOSBIPESA-N","Log P":10.7,"Exact Mass":430.38108085,"Molecular Formula":"C29H50O2","Molecular Weight":430.7,"Monoisotopic Mass":430.38108085,Charge:0,"Easy Name":"Alpha-Tocopherol","Easy Category":"Vitamin E"},HSDB:{"Color And Form":{Value:"Pale yellow oil"},Density:{Value:"0.950 g/cu cm at 25 de C"},"Melting Point":{Value:"3 °C"},Odor:{Value:"Little or no odor"},Solubility:{Value:"In water, 1.9X10-6 mg/L at 25 °C (est)"},Taste:{Value:"Little or no taste"},Uses:{Value:"Biological antioxidant, meat curing (nitrosamine blocker), nutrient, medicine."},"Vapor Pressure":{Value:"1.4X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C29H50O2"},15025:{PUBCHEM:{CID:"15025","Compound Complexity":486,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":8,"Rotatable Bond":11,"IUPAC Name Allowed":"[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name CAS-like Style":"[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Markup":"[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Preferred":"[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Systematic":"[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Traditional":"[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid",InChI:"1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)",InChIKey:"NFDRPXJGHKJRLJ-UHFFFAOYSA-N","Log P":-11.2,"Exact Mass":435.99667208,"Molecular Formula":"C6H20N2O12P4","Molecular Weight":436.12,"Monoisotopic Mass":435.99667208,Charge:0,"Easy Name":"EDTMP","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C6H20N2O12P4"},15051:{PUBCHEM:{CID:"15051","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trimethylgallane","IUPAC Name CAS-like Style":"Trimethylgallane","IUPAC Name Markup":"Trimethylgallane","IUPAC Name Preferred":"Trimethylgallane","IUPAC Name Systematic":"Trimethylgallane","IUPAC Name Traditional":"Trimethylgallane",InChI:"1S/3CH3.Ga/h3*1H3;",InChIKey:"XCZXGTMEAKBVPV-UHFFFAOYSA-N","Exact Mass":113.996,"Molecular Formula":"C3H9Ga","Molecular Weight":114.83,"Monoisotopic Mass":113.996,Charge:0,"Easy Name":"Trimethylgallium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C3Ga1H9"},15074:{PUBCHEM:{CID:"15074","Compound Complexity":108,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Pyridine-4-carboxamide","IUPAC Name CAS-like Style":"4-pyridinecarboxamide","IUPAC Name Markup":"Pyridine-4-carboxamide","IUPAC Name Preferred":"Pyridine-4-carboxamide","IUPAC Name Systematic":"Pyridine-4-carboxamide","IUPAC Name Traditional":"Isonicotinamide",InChI:"1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)",InChIKey:"VFQXVTODMYMSMJ-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":122.048012822,"Molecular Formula":"C6H6N2O","Molecular Weight":122.12,"Monoisotopic Mass":122.048012822,Charge:0,"Easy Name":"Isonicotinamide","Easy Category":"Amide"},HSDB:{},ReducedFormula:"C6H6N2O1"},15122:{PUBCHEM:{CID:"15122","Compound Complexity":34.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,4-dichlorobut-2-ene","IUPAC Name CAS-like Style":"1,4-dichloro-2-butene","IUPAC Name Markup":"1,4-dichlorobut-2-ene","IUPAC Name Preferred":"1,4-dichlorobut-2-ene","IUPAC Name Systematic":"1,4-bis(chloranyl)but-2-ene","IUPAC Name Traditional":"1,4-dichlorobut-2-ene",InChI:"1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2",InChIKey:"FQDIANVAWVHZIR-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":123.9846556,"Molecular Formula":"C4H6Cl2","Molecular Weight":124.99,"Monoisotopic Mass":123.9846556,Charge:0,"Easy Name":"1, 4-Dichlorobut-2-ene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"158 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"1.1858"},"Melting Point":{Value:"3.5 °C"},Odor:{Value:"Sweet, pungent"},"Refractive Index":{Value:"Index of refraction: 1.4863 @ 25 °C"},Solubility:{Value:"Miscible with benzene, alc, carbon tetrachloride; immiscible with ethylene glycol and glycerol."},Uses:{Value:"CHEM INT FOR 3,4-DICHLORO-1-BUTENE (A CHLOROPRENE INT), ADIPONITRILE (A HEXAMETHYLENEDIAMINE INT) & CHEM INT FOR 1,4-BUTANEDIOL (NON-US USE)."},"Vapor Pressure":{Value:"3 mm Hg @ 25 °C"}},ReducedFormula:"C4Cl2H6"},15166:{PUBCHEM:{CID:"15166","Compound Complexity":80.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclodecanol","IUPAC Name CAS-like Style":"Cyclodecanol","IUPAC Name Markup":"Cyclodecanol","IUPAC Name Preferred":"Cyclodecanol","IUPAC Name Systematic":"Cyclodecanol","IUPAC Name Traditional":"Cyclodecanol",InChI:"1S/C10H20O/c11-10-8-6-4-2-1-3-5-7-9-10/h10-11H,1-9H2",InChIKey:"WFRBMXFCEAHLGH-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":156.15141526,"Molecular Formula":"C10H20O","Molecular Weight":156.26,"Monoisotopic Mass":156.15141526,Charge:0,"Easy Name":"Cyclodecanol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C10H20O1"},15197:{PUBCHEM:{CID:"15197","Compound Complexity":108,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1-methoxy-4-nitroso-benzene","IUPAC Name CAS-like Style":"1-methoxy-4-nitrosobenzene","IUPAC Name Markup":"1-methoxy-4-nitrosobenzene","IUPAC Name Preferred":"1-methoxy-4-nitrosobenzene","IUPAC Name Systematic":"1-methoxy-4-nitroso-benzene","IUPAC Name Traditional":"1-methoxy-4-nitroso-benzene",InChI:"1S/C7H7NO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3",InChIKey:"RIOSDPIZGIWNMS-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":137.047678469,"Molecular Formula":"C7H7NO2","Molecular Weight":137.14,"Monoisotopic Mass":137.047678469,Charge:0,"Easy Name":"1-Methoxy-4-nitrosobenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C7H7N1O2"},15271:{PUBCHEM:{CID:"15271","Compound Complexity":88.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"4-methylhexanoic acid","IUPAC Name CAS-like Style":"4-methylhexanoic acid","IUPAC Name Markup":"4-methylhexanoic acid","IUPAC Name Preferred":"4-methylhexanoic acid","IUPAC Name Systematic":"4-methylhexanoic acid","IUPAC Name Traditional":"4-methylhexanoic acid",InChI:"1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",InChIKey:"DIVCBWJKVSFZKJ-UHFFFAOYSA-N","Log P":2,"Exact Mass":130.09937969,"Molecular Formula":"C7H14O2","Molecular Weight":130.18,"Monoisotopic Mass":130.09937969,Charge:0,"Easy Name":"4-methylhexanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H14O2"},15301:{PUBCHEM:{CID:"15301","Compound Complexity":42,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Penta-1,3-diene","IUPAC Name CAS-like Style":"Penta-1,3-diene","IUPAC Name Markup":"Penta-1,3-diene","IUPAC Name Preferred":"Penta-1,3-diene","IUPAC Name Systematic":"Penta-1,3-diene","IUPAC Name Traditional":"Piperylene",InChI:"1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3",InChIKey:"PMJHHCWVYXUKFD-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":68.062600258,"Molecular Formula":"C5H8","Molecular Weight":68.12,"Monoisotopic Mass":68.062600258,Charge:0,"Easy Name":"Piperylene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C5H8"},15303:{PUBCHEM:{CID:"15303","Compound Complexity":224,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"4-methylbenzenesulfonohydrazide","IUPAC Name CAS-like Style":"4-methylbenzenesulfonohydrazide","IUPAC Name Markup":"4-methylbenzenesulfonohydrazide","IUPAC Name Preferred":"4-methylbenzenesulfonohydrazide","IUPAC Name Systematic":"4-methylbenzenesulfonohydrazide","IUPAC Name Traditional":"4-methylbenzenesulfonohydrazide",InChI:"1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3",InChIKey:"ICGLPKIVTVWCFT-UHFFFAOYSA-N","Log P":.2,"Exact Mass":186.04629874,"Molecular Formula":"C7H10N2O2S","Molecular Weight":186.23,"Monoisotopic Mass":186.04629874,Charge:0,"Easy Name":"P-Toluenesulfonhydrazide","Easy Category":"Hydrazide"},HSDB:{},ReducedFormula:"C7H10N2O2S1"},15324:{PUBCHEM:{CID:"15324","Compound Complexity":196,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":30,"IUPAC Name Allowed":"Calcium;octadecanoate","IUPAC Name CAS-like Style":"Calcium;octadecanoate","IUPAC Name Markup":"Calcium;octadecanoate","IUPAC Name Preferred":"Calcium;octadecanoate","IUPAC Name Systematic":"Calcium;octadecanoate","IUPAC Name Traditional":"Calcium;stearate",InChI:"1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",InChIKey:"CJZGTCYPCWQAJB-UHFFFAOYSA-L","Exact Mass":606.4900016,"Molecular Formula":"C36H70CaO4","Molecular Weight":607,"Monoisotopic Mass":606.4900016,Charge:0,"Easy Name":"Calcium stearate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"CRYSTALLINE POWDER"},Density:{Value:"1.12"},"Melting Point":{Value:"179 °C"},Solubility:{Value:"0.004 G/100 CC H2O AT 15 °C; INSOL IN ALCOHOL & ETHER"},Uses:{Value:"PLASTICS ADDITIVE"}},ReducedFormula:"C36Ca1H70O4"},15337:{PUBCHEM:{CID:"15337","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Mercuric;diacetate","IUPAC Name CAS-like Style":"Mercury(2+);diacetate","IUPAC Name Markup":"Mercury(2+);diacetate","IUPAC Name Preferred":"Mercury(2+);diacetate","IUPAC Name Systematic":"Mercury(2+);diethanoate","IUPAC Name Traditional":"Mercuric;diacetate",InChI:"1S/2C2H4O2.Hg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"BRMYZIKAHFEUFJ-UHFFFAOYSA-L","Exact Mass":319.997252,"Molecular Formula":"C4H6HgO4","Molecular Weight":318.68,"Monoisotopic Mass":319.997252,Charge:0,"Easy Name":"Mercury (II) acetate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"White-yellow crystals or powder"},Density:{Value:"3.28"},"Melting Point":{Value:"179 °C (decomposes)"},Odor:{Value:"Mild vinegar-like odor"},Solubility:{Value:"Soluble in diethyl ether and ethanol"},Uses:{Value:"For Mercuric Acetate (USEPA/OPP PC Code: 052104) there are 0 labels match. /SRP: Not registered for current use in the U.S./"}},ReducedFormula:"C4H6Hg1O4"},15407:{PUBCHEM:{CID:"15407","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;carbonate","IUPAC Name CAS-like Style":"Strontium;carbonate","IUPAC Name Markup":"Strontium;carbonate","IUPAC Name Preferred":"Strontium;carbonate","IUPAC Name Systematic":"Strontium;carbonate","IUPAC Name Traditional":"Strontium;carbonate",InChI:"1S/CH2O3.Sr/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"LEDMRZGFZIAGGB-UHFFFAOYSA-L","Exact Mass":147.89035611,"Molecular Formula":"CO3Sr","Molecular Weight":147.6,"Monoisotopic Mass":147.89035611,Charge:0,"Easy Name":"Strontium carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"WHITE POWDER"},Density:{Value:"3.5 g/cu-cm"},"Melting Point":{Value:"1494 °C"},Odor:{Value:"ODORLESS"},"Refractive Index":{Value:"Index of refraction (alpha, beta, gamma): 1.518, 1.666, 1.668"},Solubility:{Value:"11 MG/L OF WATER AT 18 °C; 650 MG/L OF WATER AT 100 °C"},Taste:{Value:"TASTELESS"},Uses:{Value:"IN PYROTECHNICS; MANUFACTURING IRIDESCENT GLASS; REFINING SUGAR"}},ReducedFormula:"C1O3Sr1"},15413:{PUBCHEM:{CID:"15413","Compound Complexity":33.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-methoxy-2-methyl-propane","IUPAC Name CAS-like Style":"2-methoxy-2-methylpropane","IUPAC Name Markup":"2-methoxy-2-methylpropane","IUPAC Name Preferred":"2-methoxy-2-methylpropane","IUPAC Name Systematic":"2-methoxy-2-methyl-propane","IUPAC Name Traditional":"2-methoxy-2-methyl-propane",InChI:"1S/C5H12O/c1-5(2,3)6-4/h1-4H3",InChIKey:"BZLVMXJERCGZMT-UHFFFAOYSA-N","Log P":.9,"Exact Mass":88.08881501,"Molecular Formula":"C5H12O","Molecular Weight":88.15,"Monoisotopic Mass":88.08881501,Charge:0,"Easy Name":"Methyl tert-butyl ether","Easy Category":"Ether"},HSDB:{"Boiling Point":{Value:"55.1 °C"},"Color And Form":{Value:"Liquid"},Density:{Value:"0.7353 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"145 btu/lb at 55 °C (7 kcal/mole)"},"Melting Point":{Value:"-108.6 °C"},Odor:{Value:"Terpene-like odor"},"Refractive Index":{Value:"Index of refraction = 1.3664 at 25 °C/D"},Solubility:{Value:"In water, 51,000 mg/L at 25 °C"},Uses:{Value:"Octane booster for unleaded gasoline (up to 7% by volume), manufacture of isobutene."},"Vapor Pressure":{Value:"250 mm Hg at 25 °C /extrapolated/"}},ReducedFormula:"C5H12O1"},15419:{PUBCHEM:{CID:"15419","Compound Complexity":258,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name CAS-like Style":"2-methyl-4-(7H-purin-6-ylamino)-2-buten-1-ol","IUPAC Name Markup":"2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name Preferred":"2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name Systematic":"2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name Traditional":"Zeatin",InChI:"1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)",InChIKey:"UZKQTCBAMSWPJD-UHFFFAOYSA-N","Log P":.7,"Exact Mass":219.11201006,"Molecular Formula":"C10H13N5O","Molecular Weight":219.24,"Monoisotopic Mass":219.11201006,Charge:0,"Easy Name":"Zeatin","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C10H13N5O1"},15553:{PUBCHEM:{CID:"15553","Compound Complexity":165,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3,6-dichloropyridine-2-carboxylic acid","IUPAC Name CAS-like Style":"3,6-dichloro-2-pyridinecarboxylic acid","IUPAC Name Markup":"3,6-dichloropyridine-2-carboxylic acid","IUPAC Name Preferred":"3,6-dichloropyridine-2-carboxylic acid","IUPAC Name Systematic":"3,6-bis(chloranyl)pyridine-2-carboxylic acid","IUPAC Name Traditional":"3,6-dichloropicolinic acid",InChI:"1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)",InChIKey:"HUBANNPOLNYSAD-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":190.9540837,"Molecular Formula":"C6H3Cl2NO2","Molecular Weight":192,"Monoisotopic Mass":190.9540837,Charge:0,"Easy Name":"Clopyralid","Easy Category":"Herbicide"},HSDB:{"Color And Form":{Value:"White crystalline solid"},"Melting Point":{Value:"151-152 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 7.85X10+3 mg/L (distilled water); 188 g/L at pH 5, 143 g/L ay pH 7; 157 g/L at pH 9, all at 20 °C"},Uses:{Value:"For clopyralid (USEPA/OPP Pesticide Code: 117403) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"9.98X10-6 mm Hg at 25 °C"}},ReducedFormula:"C6Cl2H3N1O2"},15600:{PUBCHEM:{CID:"15600","Compound Complexity":40,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Decane","IUPAC Name CAS-like Style":"Decane","IUPAC Name Markup":"Decane","IUPAC Name Preferred":"Decane","IUPAC Name Systematic":"Decane","IUPAC Name Traditional":"Decane",InChI:"1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",InChIKey:"DIOQZVSQGTUSAI-UHFFFAOYSA-N","Log P":5,"Exact Mass":142.17215071,"Molecular Formula":"C10H22","Molecular Weight":142.28,"Monoisotopic Mass":142.17215071,Charge:0,"Easy Name":"Decane","Easy Category":"Alkane"},HSDB:{"Boiling Point":{Value:"174.1 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature = 618.1 K; critical pressure = 2.10 MPa"},Density:{Value:"0.7255 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"39.58 kJ/mol at 174.15 °C; 51.42 kJ/mol at 25 °C"},"Melting Point":{Value:"-29.7 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},"Refractive Index":{Value:"Index of refraction: 1.4102 at 20 °C"},Solubility:{Value:"In water, 5.20X10-2 mg/L at 25 °C"},Uses:{Value:"Organic synthesis, solvent, standardized hydrocarbon, in jet-fuel research."},"Vapor Density":{Value:"4.90 (Air = 1)"},"Vapor Pressure":{Value:"1.43 mm Hg at 25 °C"},Viscosity:{Value:"2.188 mPa s at -25 °C; 1.277 mPa s at 0 °C; 0.838 mPa s at 25 °C; 0.598 mPa s at 50 °C; 0.453 mPa s at 75 °C; 0.359 mPa s at 100 °C"}},ReducedFormula:"C10H22"},15666:{PUBCHEM:{CID:"15666","Compound Complexity":31.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;thiocyanate","IUPAC Name CAS-like Style":"Ammonium;thiocyanate","IUPAC Name Markup":"Azanium;thiocyanate","IUPAC Name Preferred":"Azanium;thiocyanate","IUPAC Name Systematic":"Azanium;thiocyanate","IUPAC Name Traditional":"Ammonium;thiocyanate",InChI:"1S/CHNS.H3N/c2-1-3;/h3H;1H3",InChIKey:"SOIFLUNRINLCBN-UHFFFAOYSA-N","Exact Mass":76.00951931,"Molecular Formula":"CH4N2S","Molecular Weight":76.12,"Monoisotopic Mass":76.00951931,Charge:0,"Easy Name":"Ammonium thiocyanate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Deliquescent crystals"},Density:{Value:"1.3057 g/mL"},"Melting Point":{Value:"149.6 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Very sol in water and ethanol; sol in acetone; insol in chloroform."},Uses:{Value:"For Ammonium thiocyanate (USEPA/OPP Pesticide Code: 068200) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C1H4N2S1"},15738:{PUBCHEM:{CID:"15738","Compound Complexity":23.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3-bromopentane","IUPAC Name CAS-like Style":"3-bromopentane","IUPAC Name Markup":"3-bromopentane","IUPAC Name Preferred":"3-bromopentane","IUPAC Name Systematic":"3-bromanylpentane","IUPAC Name Traditional":"3-bromopentane",InChI:"1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3",InChIKey:"VTOQFOCYBTVOJZ-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":150.00441,"Molecular Formula":"C5H11Br","Molecular Weight":151.04,"Monoisotopic Mass":150.00441,Charge:0,"Easy Name":"3-Bromopentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"Br1C5H11"},15908:{PUBCHEM:{CID:"15908","Compound Complexity":134,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"3-(ethyliminomethyleneamino)-N,N-dimethyl-propan-1-amine","IUPAC Name CAS-like Style":"3-(ethyliminomethylideneamino)-N,N-dimethyl-1-propanamine","IUPAC Name Markup":"3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine","IUPAC Name Preferred":"3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine","IUPAC Name Systematic":"3-(ethyliminomethylideneamino)-N,N-dimethyl-propan-1-amine","IUPAC Name Traditional":"3-(ethyliminomethyleneamino)propyl-dimethyl-amine",InChI:"1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3",InChIKey:"LMDZBCPBFSXMTL-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":155.14224756,"Molecular Formula":"C8H17N3","Molecular Weight":155.24,"Monoisotopic Mass":155.14224756,Charge:0,"Easy Name":"1-Ethyl-3- (3-dimethylaminopropyl)carbodiimide","Easy Category":"Carbodiimide"},HSDB:{},ReducedFormula:"C8H17N3"},15965:{PUBCHEM:{CID:"15965","Compound Complexity":216,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"4-amino-3,5,6-trichloro-pyridine-2-carboxylic acid","IUPAC Name CAS-like Style":"4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid","IUPAC Name Markup":"4-amino-3,5,6-trichloropyridine-2-carboxylic acid","IUPAC Name Preferred":"4-amino-3,5,6-trichloropyridine-2-carboxylic acid","IUPAC Name Systematic":"4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylic acid","IUPAC Name Traditional":"4-amino-3,5,6-trichloro-picolinic acid",InChI:"1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)",InChIKey:"NQQVFXUMIDALNH-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":239.92601,"Molecular Formula":"C6H3Cl3N2O2","Molecular Weight":241.5,"Monoisotopic Mass":239.92601,Charge:0,"Easy Name":"Picloram","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"White powder"},"Melting Point":{Value:"218.5 °C"},Odor:{Value:"Chlorine-like odor"},pH:{Value:"pH of saturated solution 3.0 (24.5 °C)"},Solubility:{Value:"In water, 430 mg/L at 25 °C"},Uses:{Value:"For picloram (USEPA/OPP Pesticide Code: 005101) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"6.0X10-16 mm Hg at 25 °C"}},ReducedFormula:"C6Cl3H3N2O2"},15993:{PUBCHEM:{CID:"15993","Compound Complexity":769,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":6,"Rotatable Bond":8,"IUPAC Name Allowed":"[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate","IUPAC Name CAS-like Style":"[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","IUPAC Name Markup":"[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","IUPAC Name Preferred":"[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","IUPAC Name Systematic":"[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","IUPAC Name Traditional":"[[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",InChI:"1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1",InChIKey:"SUYVUBYJARFZHO-RRKCRQDMSA-N","Log P":-4.4,"Exact Mass":491.00083197,"Molecular Formula":"C10H16N5O12P3","Molecular Weight":491.18,"Monoisotopic Mass":491.00083197,Charge:0,"Easy Name":"Deoxyadenosine triphosphate","Easy Category":"Organophosphorus"},HSDB:{},ReducedFormula:"C10H16N5O12P3"},16028:{PUBCHEM:{CID:"16028","Compound Complexity":116,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":12,"IUPAC Name Allowed":"Tetrabutylammonium","IUPAC Name CAS-like Style":"Tetrabutylammonium","IUPAC Name Markup":"Tetrabutylazanium","IUPAC Name Preferred":"Tetrabutylazanium","IUPAC Name Systematic":"Tetrabutylazanium","IUPAC Name Traditional":"Tetrabutylammonium",InChI:"1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1",InChIKey:"DZLFLBLQUQXARW-UHFFFAOYSA-N","Log P":5.3,"Exact Mass":242.28477517,"Molecular Formula":"C16H36N+","Molecular Weight":242.46,"Monoisotopic Mass":242.28477517,Charge:1,"Easy Name":"Tetrabutylammonium","Easy Category":"Cation"},HSDB:{},ReducedFormula:"+1C16H36N1"},16184:{PUBCHEM:{CID:"16184","Compound Complexity":198,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(5-methoxy-1H-indol-3-yl)-N-methyl-ethanamine","IUPAC Name CAS-like Style":"2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine","IUPAC Name Markup":"2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine","IUPAC Name Preferred":"2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine","IUPAC Name Systematic":"2-(5-methoxy-1H-indol-3-yl)-N-methyl-ethanamine","IUPAC Name Traditional":"2-(5-methoxy-1H-indol-3-yl)ethyl-methyl-amine",InChI:"1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3",InChIKey:"NFDDCRIHMZGWBP-UHFFFAOYSA-N","Log P":1,"Exact Mass":204.12626314,"Molecular Formula":"C12H16N2O","Molecular Weight":204.27,"Monoisotopic Mass":204.12626314,Charge:0,"Easy Name":"5-MeO-NMT","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C12H16N2O1"},16251:{PUBCHEM:{CID:"16251","Compound Complexity":116,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"3,4-dimethoxyphenol","IUPAC Name CAS-like Style":"3,4-dimethoxyphenol","IUPAC Name Markup":"3,4-dimethoxyphenol","IUPAC Name Preferred":"3,4-dimethoxyphenol","IUPAC Name Systematic":"3,4-dimethoxyphenol","IUPAC Name Traditional":"3,4-dimethoxyphenol",InChI:"1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3",InChIKey:"SMFFZOQLHYIRDA-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":154.06299418,"Molecular Formula":"C8H10O3","Molecular Weight":154.16,"Monoisotopic Mass":154.06299418,Charge:0,"Easy Name":"3, 4-Dimethoxyphenol","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C8H10O3"},16402:{PUBCHEM:{CID:"16402","Compound Complexity":31.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"Hexane-1,6-diamine","IUPAC Name CAS-like Style":"Hexane-1,6-diamine","IUPAC Name Markup":"Hexane-1,6-diamine","IUPAC Name Preferred":"Hexane-1,6-diamine","IUPAC Name Systematic":"Hexane-1,6-diamine","IUPAC Name Traditional":"6-aminohexylamine",InChI:"1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2",InChIKey:"NAQMVNRVTILPCV-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":116.13134852,"Molecular Formula":"C6H16N2","Molecular Weight":116.2,"Monoisotopic Mass":116.13134852,Charge:0,"Easy Name":"Hexamethylenediamine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"205 °C"},"Color And Form":{Value:"COLORLESS LEAFLETS"},Density:{Value:"(anhyd) 0.799 at 60 °C (liquid)"},"Heat Of Vaporization":{Value:"203 BTU/LB= 113 CAL/G= 4.73X10+4 J/KG"},"Melting Point":{Value:"42 °C"},Odor:{Value:"ODOR OF PIPERIDINE"},Solubility:{Value:"FREELY SOL IN WATER; SLIGHTLY SOL IN ALC, BENZENE"},Uses:{Value:"CHEM INT FOR NYLON-TYPE POLYAMIDE RESINS"},"Vapor Density":{Value:"4.01 (AIR= 1)"}},ReducedFormula:"C6H16N2"},16559:{PUBCHEM:{CID:"16559","Compound Complexity":394,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione","IUPAC Name CAS-like Style":"3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione","IUPAC Name Markup":"3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione","IUPAC Name Preferred":"3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione","IUPAC Name Systematic":"3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione","IUPAC Name Traditional":"3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-quinone",InChI:"1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)",InChIKey:"ZTMKADLOSYKWCA-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":234.13682783,"Molecular Formula":"C13H18N2O2","Molecular Weight":234.29,"Monoisotopic Mass":234.13682783,Charge:0,"Easy Name":"Lenacil","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C13H18N2O2"},16656:{PUBCHEM:{CID:"16656","Compound Complexity":55.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2,4-dimethylheptane","IUPAC Name CAS-like Style":"2,4-dimethylheptane","IUPAC Name Markup":"2,4-dimethylheptane","IUPAC Name Preferred":"2,4-dimethylheptane","IUPAC Name Systematic":"2,4-dimethylheptane","IUPAC Name Traditional":"2,4-dimethylheptane",InChI:"1S/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3",InChIKey:"AUKVIBNBLXQNIZ-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"2, 4-Dimethylheptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},16662:{PUBCHEM:{CID:"16662","Compound Complexity":55.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2,5-dimethylheptane","IUPAC Name CAS-like Style":"2,5-dimethylheptane","IUPAC Name Markup":"2,5-dimethylheptane","IUPAC Name Preferred":"2,5-dimethylheptane","IUPAC Name Systematic":"2,5-dimethylheptane","IUPAC Name Traditional":"2,5-dimethylheptane",InChI:"1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3",InChIKey:"HQZHQNKZOYIKQC-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"2, 5-dimethylheptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},16663:{PUBCHEM:{CID:"16663","Compound Complexity":42,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"4-ethylheptane","IUPAC Name CAS-like Style":"4-ethylheptane","IUPAC Name Markup":"4-ethylheptane","IUPAC Name Preferred":"4-ethylheptane","IUPAC Name Systematic":"4-ethylheptane","IUPAC Name Traditional":"4-ethylheptane",InChI:"1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3",InChIKey:"XMROPFQWHHUFFS-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"4-Ethylheptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},16681:{PUBCHEM:{CID:"16681","Compound Complexity":196,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":30,"IUPAC Name Allowed":"Cadmium(2+);octadecanoate","IUPAC Name CAS-like Style":"Cadmium(2+);octadecanoate","IUPAC Name Markup":"Cadmium(2+);octadecanoate","IUPAC Name Preferred":"Cadmium(2+);octadecanoate","IUPAC Name Systematic":"Cadmium(2+);octadecanoate","IUPAC Name Traditional":"Cadmium(2+);stearate",InChI:"1S/2C18H36O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",InChIKey:"GWOWVOYJLHSRJJ-UHFFFAOYSA-L","Exact Mass":680.430776,"Molecular Formula":"C36H70CdO4","Molecular Weight":679.4,"Monoisotopic Mass":680.430776,Charge:0,"Easy Name":"Cadmium stearate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"White powder"},"Melting Point":{Value:"105-115 °C"},Uses:{Value:"Lubricant and stabilizer in plastics."}},ReducedFormula:"C36Cd1H70O4"},16698:{PUBCHEM:{CID:"16698","Compound Complexity":305,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":6,"Rotatable Bond":6,"IUPAC Name Allowed":"[bis(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name CAS-like Style":"[bis(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Markup":"[bis(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Preferred":"[bis(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Systematic":"[bis(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Traditional":"[bis(phosphonomethyl)amino]methylphosphonic acid",InChI:"1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)",InChIKey:"YDONNITUKPKTIG-UHFFFAOYSA-N","Log P":-7.2,"Exact Mass":298.97249196,"Molecular Formula":"C3H12NO9P3","Molecular Weight":299.05,"Monoisotopic Mass":298.97249196,Charge:0,"Easy Name":"ATMP","Easy Category":"Acid"},HSDB:{},ReducedFormula:"C3H12N1O9P3"},16717:{PUBCHEM:{CID:"16717","Compound Complexity":149,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-phenylaniline","IUPAC Name CAS-like Style":"3-phenylaniline","IUPAC Name Markup":"3-phenylaniline","IUPAC Name Preferred":"3-phenylaniline","IUPAC Name Systematic":"3-phenylaniline","IUPAC Name Traditional":"(3-phenylphenyl)amine",InChI:"1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2",InChIKey:"MUNOBADFTHUUFG-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":169.08914936,"Molecular Formula":"C12H11N","Molecular Weight":169.22,"Monoisotopic Mass":169.08914936,Charge:0,"Easy Name":"3-Aminobiphenyl","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C12H11N1"},16724:{PUBCHEM:{CID:"16724","Compound Complexity":223,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one","IUPAC Name CAS-like Style":"(5S)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enone","IUPAC Name Markup":"(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one","IUPAC Name Preferred":"(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one","IUPAC Name Systematic":"(5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one","IUPAC Name Traditional":"(5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one",InChI:"1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1",InChIKey:"ULDHMXUKGWMISQ-VIFPVBQESA-N","Log P":2.4,"Exact Mass":150.10446507,"Molecular Formula":"C10H14O","Molecular Weight":150.22,"Monoisotopic Mass":150.10446507,Charge:0,"Easy Name":"S- (+)-Carvone","Easy Category":"Terpenoid"},HSDB:{"Boiling Point":{Value:"230-231 °C"},"Color And Form":{Value:"Pale-yellowish or colorless liquid"},"Refractive Index":{Value:"Index of refraction = 1.5003 at 20 °C"},Solubility:{Value:"In water, 367 mg/L at 25 °C (est)"},Uses:{Value:"As oil of caraway; also for flavoring liqueurs; in perfumery and soaps."},"Vapor Pressure":{Value:"0.115 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H14O1"},16726:{PUBCHEM:{CID:"16726","Compound Complexity":220,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3-dichloro-1,3,5-triazinane-2,4,6-trione","IUPAC Name CAS-like Style":"1,3-dichloro-1,3,5-triazinane-2,4,6-trione","IUPAC Name Markup":"1,3-dichloro-1,3,5-triazinane-2,4,6-trione","IUPAC Name Preferred":"1,3-dichloro-1,3,5-triazinane-2,4,6-trione","IUPAC Name Systematic":"1,3-bis(chloranyl)-1,3,5-triazinane-2,4,6-trione","IUPAC Name Traditional":"1,3-dichloroisocyanuric acid",InChI:"1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)",InChIKey:"CEJLBZWIKQJOAT-UHFFFAOYSA-N","Log P":.4,"Exact Mass":196.9394963,"Molecular Formula":"C3HCl2N3O3","Molecular Weight":197.96,"Monoisotopic Mass":196.9394963,Charge:0,"Easy Name":"Dichloroisocyanuric acid","Easy Category":"Antimicrobials"},HSDB:{"Color And Form":{Value:"White, crystalline powder, granules"},Density:{Value:"Powder: 34 lb/cu f;, granular 53 lb/cu ft (loose bulk, approximate)"},"Melting Point":{Value:"226.6 °C"},Odor:{Value:"Chlorine odor"},Solubility:{Value:"Readily soluble in polar organic solvents (ketones, nitriles, esters)"},Uses:{Value:"For dichloroisocyanuric acid (USEPA/OPP Pesticide Code: 081401) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.0X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C3Cl2H1N3O3"},16754:{PUBCHEM:{CID:"16754","Compound Complexity":489,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline","IUPAC Name CAS-like Style":"(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline","IUPAC Name Markup":"(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline","IUPAC Name Preferred":"(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline","IUPAC Name Systematic":"(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline","IUPAC Name Traditional":"(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline",InChI:"1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1",InChIKey:"RUZIUYOSRDWYQF-HNNXBMFYSA-N","Log P":3.4,"Exact Mass":355.17835829,"Molecular Formula":"C21H25NO4","Molecular Weight":355.4,"Monoisotopic Mass":355.17835829,Charge:0,"Easy Name":"Glaucine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C21H25N1O4"},16850:{PUBCHEM:{CID:"16850","Compound Complexity":522,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"3',6'-dihydroxyspiro[isobenzofuran-3,9'-xanthene]-1-one","IUPAC Name CAS-like Style":"3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one","IUPAC Name Markup":"3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one","IUPAC Name Preferred":"3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one","IUPAC Name Systematic":"3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one","IUPAC Name Traditional":"Fluorescein",InChI:"1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H",InChIKey:"GNBHRKFJIUUOQI-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":332.06847348,"Molecular Formula":"C20H12O5","Molecular Weight":332.3,"Monoisotopic Mass":332.06847348,Charge:0,"Easy Name":"Fluorescein","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Red, orthorhombic prisms"},"Melting Point":{Value:"315 °C (decomposes)"},Solubility:{Value:"Slightly soluble in ethanol, diethyl ether; very soluble in acetone; soluble in pyridine, methanol"},Uses:{Value:"A presumptive reagent for dilute blood detection other than luminol is fluorescein."},"Vapor Pressure":{Value:"4.1X10-14 mm Hg at 25 °C (est)"}},ReducedFormula:"C20H12O5"},16887:{PUBCHEM:{CID:"16887","Compound Complexity":1540,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"Disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxy-benzenesulfonate","IUPAC Name CAS-like Style":"Disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]methyl]-5-hydroxybenzenesulfonate","IUPAC Name Markup":"Disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate","IUPAC Name Preferred":"Disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate","IUPAC Name Systematic":"Disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-oxidanyl-benzenesulfonate","IUPAC Name Traditional":"Disodium;2-[[4-[ethyl-(3-sulfonatobenzyl)amino]phenyl]-[4-[ethyl-(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxy-besylate",InChI:"1S/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2",InChIKey:"RZSYLLSAWYUBPE-UHFFFAOYSA-L","Exact Mass":808.11709739,"Molecular Formula":"C37H34N2Na2O10S3","Molecular Weight":808.9,"Monoisotopic Mass":808.11709739,Charge:0,"Easy Name":"Fast Green FCF","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"Dark green powder or granules with a metallic luster"},"Melting Point":{Value:"290 °C (decomposes)"},Solubility:{Value:"Solubility at 25 °C: in ethanol, 0.01 g/100 mL; in glycerol, 20.0 g/100 mL; in propylene glycol, 20.0 g/100 mL"}},ReducedFormula:"C37H34N2Na2O10S3"},16898:{PUBCHEM:{CID:"16898","Compound Complexity":238,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":19,"IUPAC Name Allowed":"Henicosanoic acid","IUPAC Name CAS-like Style":"Heneicosanoic acid","IUPAC Name Markup":"Henicosanoic acid","IUPAC Name Preferred":"Henicosanoic acid","IUPAC Name Systematic":"Henicosanoic acid","IUPAC Name Traditional":"Heneicosanoic acid",InChI:"1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)",InChIKey:"CKDDRHZIAZRDBW-UHFFFAOYSA-N","Log P":9.1,"Exact Mass":326.31848059,"Molecular Formula":"C21H42O2","Molecular Weight":326.6,"Monoisotopic Mass":326.31848059,Charge:0,"Easy Name":"Heneicosylic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C21H42O2"},16938:{PUBCHEM:{CID:"16938","Compound Complexity":625,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(5-aminobenzo[a]phenoxazin-9-ylidene)-diethyl-ammonium;chloride","IUPAC Name CAS-like Style":"(5-amino-9-benzo[a]phenoxazinylidene)-diethylammonium;chloride","IUPAC Name Markup":"(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium;chloride","IUPAC Name Preferred":"(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium;chloride","IUPAC Name Systematic":"(5-azanylbenzo[a]phenoxazin-9-ylidene)-diethyl-azanium;chloride","IUPAC Name Traditional":"(5-aminobenzo[a]phenoxazin-9-ylidene)-diethyl-ammonium;chloride",InChI:"1S/C20H19N3O.ClH/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;/h5-12,21H,3-4H2,1-2H3;1H",InChIKey:"SHXOKQKTZJXHHR-UHFFFAOYSA-N","Exact Mass":353.12949,"Molecular Formula":"C20H20ClN3O","Molecular Weight":353.8,"Monoisotopic Mass":353.12949,Charge:0,"Easy Name":"Nile Blue chloride","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C20Cl1H20N3O1"},16968:{PUBCHEM:{CID:"16968","Compound Complexity":45.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Hepta-1,6-diene","IUPAC Name CAS-like Style":"Hepta-1,6-diene","IUPAC Name Markup":"Hepta-1,6-diene","IUPAC Name Preferred":"Hepta-1,6-diene","IUPAC Name Systematic":"Hepta-1,6-diene","IUPAC Name Traditional":"Hepta-1,6-diene",InChI:"1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2",InChIKey:"GEAWFZNTIFJMHR-UHFFFAOYSA-N","Log P":3,"Exact Mass":96.09390039,"Molecular Formula":"C7H12","Molecular Weight":96.17,"Monoisotopic Mass":96.09390039,Charge:0,"Easy Name":"1, 6-Heptadiene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C7H12"},17085:{PUBCHEM:{CID:"17085","Compound Complexity":263,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":21,"IUPAC Name Allowed":"Tricosanoic acid","IUPAC Name CAS-like Style":"Tricosanoic acid","IUPAC Name Markup":"Tricosanoic acid","IUPAC Name Preferred":"Tricosanoic acid","IUPAC Name Systematic":"Tricosanoic acid","IUPAC Name Traditional":"Tricosanoic acid",InChI:"1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)",InChIKey:"XEZVDURJDFGERA-UHFFFAOYSA-N","Log P":10.2,"Exact Mass":354.34978072,"Molecular Formula":"C23H46O2","Molecular Weight":354.6,"Monoisotopic Mass":354.34978072,Charge:0,"Easy Name":"Tricosylic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C23H46O2"},17100:{PUBCHEM:{CID:"17100","Compound Complexity":168,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(4-methylcyclohex-3-en-1-yl)propan-2-ol","IUPAC Name CAS-like Style":"2-(4-methyl-1-cyclohex-3-enyl)-2-propanol","IUPAC Name Markup":"2-(4-methylcyclohex-3-en-1-yl)propan-2-ol","IUPAC Name Preferred":"2-(4-methylcyclohex-3-en-1-yl)propan-2-ol","IUPAC Name Systematic":"2-(4-methylcyclohex-3-en-1-yl)propan-2-ol","IUPAC Name Traditional":"2-(4-methylcyclohex-3-en-1-yl)propan-2-ol",InChI:"1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",InChIKey:"WUOACPNHFRMFPN-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":"Alpha-Terpineol","Easy Category":"Terpenoid"},HSDB:{"Boiling Point":{Value:"218-221 °C"},"Color And Form":{Value:"Colorless solid"},Density:{Value:"0.935 at 20 °C/20 °C"},"Melting Point":{Value:"35-40 °C"},Odor:{Value:"Floral, lilac"},"Refractive Index":{Value:"Index of refraction: 1.4831 at 20 C/D"},Solubility:{Value:"1:8 OR MORE IN 50% ALCOHOL; SOL IN PROPYLENE GLYCOL"},Taste:{Value:"Lime (distilled)"},Uses:{Value:"For alpha-terpineol (USEPA/OPP Pesticide Code: 067003) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"0.0423 mm Hg at 24 °C"}},ReducedFormula:"C10H18O1"},17128:{PUBCHEM:{CID:"17128","Compound Complexity":198,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate","IUPAC Name CAS-like Style":"N,N-dimethylcarbamodithioic acid [[[dimethylamino(sulfanylidene)methyl]thio]-methylarsino] ester","IUPAC Name Markup":"[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate","IUPAC Name Preferred":"[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate","IUPAC Name Systematic":"[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate","IUPAC Name Traditional":"N,N-dimethylcarbamodithioic acid [(dimethylthiocarbamoylthio)-methyl-arsino] ester",InChI:"1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3",InChIKey:"FRDDEJAABOMVCH-UHFFFAOYSA-N","Exact Mass":329.933403,"Molecular Formula":"C7H15AsN2S4","Molecular Weight":330.4,"Monoisotopic Mass":329.933403,Charge:0,"Easy Name":"Urbacid","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"As1C7H15N2S4"},17170:{PUBCHEM:{CID:"17170","Compound Complexity":278,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethyl-aniline;hydrochloride","IUPAC Name CAS-like Style":"4-[[4-(dimethylamino)phenyl]-iminomethyl]-N,N-dimethylaniline;hydrochloride","IUPAC Name Markup":"4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride","IUPAC Name Preferred":"4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride","IUPAC Name Systematic":"4-[C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethyl-aniline;hydrochloride","IUPAC Name Traditional":"[4-[4-(dimethylamino)benzimidoyl]phenyl]-dimethyl-amine;hydrochloride",InChI:"1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H",InChIKey:"KSCQDDRPFHTIRL-UHFFFAOYSA-N","Exact Mass":303.1502254,"Molecular Formula":"C17H22ClN3","Molecular Weight":303.8,"Monoisotopic Mass":303.1502254,Charge:0,"Easy Name":"Auramine O","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"Yellow powder"},"Melting Point":{Value:">250 °C (dec)"},Solubility:{Value:"10 mg/ml in water; 60 mg/ml in ethylene glycol methyl ether; 20 mg/ml in EtOH"},Uses:{Value:"Auramine hydrochloride has an affinity for a wide spectrum of fibers. In fact, it has been used to dye materials as diverse as paper, leather, cotton, wool, silk, jute and coco fiber. It is an excellent fluorochrome and is used in fluorescent staining of acid-fast bacteria; tissue stain."}},ReducedFormula:"C17Cl1H22N3"},17305:{PUBCHEM:{CID:"17305","Compound Complexity":109,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Chloro-diethoxy-thioxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Chloro-diethoxy-sulfanylidenephosphorane","IUPAC Name Markup":"Chloro-diethoxy-sulfanylidene-λ5-phosphane","IUPAC Name Preferred":"Chloro-diethoxy-sulfanylidene-lambda5-phosphane","IUPAC Name Systematic":"Chloranyl-diethoxy-sulfanylidene-lambda5-phosphane","IUPAC Name Traditional":"Chloro-diethoxy-thioxo-phosphorane",InChI:"1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3",InChIKey:"KMJJJTCKNZYTEY-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":187.9827654,"Molecular Formula":"C4H10ClO2PS","Molecular Weight":188.61,"Monoisotopic Mass":187.9827654,Charge:0,"Easy Name":"Diethyl phosphorochlorothioate","Easy Category":"Organophosphorus"},HSDB:{"Boiling Point":{Value:"49 °C BELOW 1 MM HG; FP: BELOW -75 °C"},"Color And Form":{Value:"COLORLESS TO LIGHT AMBER LIQUID"},Density:{Value:"1.196 AT 25 °C/25 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4705 AT 25 °C/D"},Solubility:{Value:"INSOL IN WATER; SOL IN MOST ORG SOLVENTS"},Uses:{Value:"INTERMEDIATE FOR PESTICIDES; OIL & GASOLINE ADDITIVES; FLAME RETARDANTS; FLOTATION AGENTS"}},ReducedFormula:"C4Cl1H10O2P1S1"},17314:{PUBCHEM:{CID:"17314","Compound Complexity":177,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3,6-trimethylbenzoic acid","IUPAC Name CAS-like Style":"2,3,6-trimethylbenzoic acid","IUPAC Name Markup":"2,3,6-trimethylbenzoic acid","IUPAC Name Preferred":"2,3,6-trimethylbenzoic acid","IUPAC Name Systematic":"2,3,6-trimethylbenzoic acid","IUPAC Name Traditional":"2,3,6-trimethylbenzoic acid",InChI:"1S/C10H12O2/c1-6-4-5-7(2)9(8(6)3)10(11)12/h4-5H,1-3H3,(H,11,12)",InChIKey:"JRUKSSBDIZXQDX-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":164.08372963,"Molecular Formula":"C10H12O2","Molecular Weight":164.2,"Monoisotopic Mass":164.08372963,Charge:0,"Easy Name":"2, 3, 6-Trimethylbenzoic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H12O2"},17358:{PUBCHEM:{CID:"17358","Compound Complexity":62.7,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexafluoro-lambda6-sulfane","IUPAC Name CAS-like Style":"Hexafluoro-lambda6-sulfane","IUPAC Name Markup":"Hexafluoro-λ6-sulfane","IUPAC Name Preferred":"Hexafluoro-lambda6-sulfane","IUPAC Name Systematic":"Hexakis(fluoranyl)-lambda6-sulfane","IUPAC Name Traditional":"Hexafluoro-lambda6-sulfane",InChI:"1S/F6S/c1-7(2,3,4,5)6",InChIKey:"SFZCNBIFKDRMGX-UHFFFAOYSA-N","Log P":4.2,"Exact Mass":145.96249015,"Molecular Formula":"F6S","Molecular Weight":146.06,"Monoisotopic Mass":145.96249015,Charge:0,"Easy Name":"Sulfur hexafluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"-63.8 °C (sublimes)"},"Color And Form":{Value:"Colorless gas [Note: Shipped as a liquefied compressed gas. Condenses directly to a solid upon cooling]."},"Critical Temperature And Pressure":{Value:"Critical temperature: 318.723 deg K; Critical pressure: 3.77 MPa"},Density:{Value:"6.5 g/L (gas); 1.67 (liquid)"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of sulfur hexafluoride stem from its toxicologic properties. Toxic by all routes (inhalation, ingestion, and dermal contact), exposure to this colorless, odorless gas may occur from its production, storage, transportation, or use as a gaseous insulating medium for a wide range of high voltage electrical and electronic equipment. Effects from exposure may include dizziness, headache, frostbite, and asphyxiation. OSHA has established an 8-hour time weighted average (TWA) exposure limit of 1000 ppm. In activities and situations where over-exposure may occur, wear a self-contained breathing apparatus and protective clothing. If contact should occur, irrigate eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Contaminated clothing should be removed and left at the worksite for cleaning. While sulfur hexafluoride does not ignite easily, it may burn with the production of poisonous gases. Also, cylinders may explode in the heat of a fire. For fires involving sulfur hexafluoride, extinguish with dry chemical, CO2, Halon, standard foam, or water spray or fog. If water is used, apply from as far a distance as possible, and stay away from ends of tanks. Sulfur hexafluoride may be shipped via air, rail, road, and water, in containers bearing the label, "Nonflammable gas." Before implementing land disposal of sulfur hexafluoride waste, consult with environmental regulatory agencies for guidance.'},"Heat Of Vaporization":{Value:"9.6419 kJ/mol"},"Melting Point":{Value:"-50.8 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.000783 (gas)"},Solubility:{Value:"In water, 31 mg/L at 25 °C"},Taste:{Value:"Tasteless"},Uses:{Value:"An inert gas used mainly as a test gas in respiratory physiology. Other uses include its injection in vitreoretinal surgery to restore the vitreous chamber and as a tracer in monitoring the dispersion and deposition of air pollutants."},"Vapor Density":{Value:"5 (Air = 1)"},"Vapor Pressure":{Value:"2367 kPa at 25 °C (1.78X10+4 mm Hg)"},Viscosity:{Value:"Gas: 150.29 micropoise at 25 °C; liquid: 0.277 centipoise at 25 °C"}},ReducedFormula:"F6S1"},17593:{PUBCHEM:{CID:"17593","Compound Complexity":92.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"3-methylbenzene-1,2-diamine","IUPAC Name CAS-like Style":"3-methylbenzene-1,2-diamine","IUPAC Name Markup":"3-methylbenzene-1,2-diamine","IUPAC Name Preferred":"3-methylbenzene-1,2-diamine","IUPAC Name Systematic":"3-methylbenzene-1,2-diamine","IUPAC Name Traditional":"(2-amino-3-methyl-phenyl)amine",InChI:"1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3",InChIKey:"AXNUJYHFQHQZBE-UHFFFAOYSA-N","Log P":.9,"Exact Mass":122.084398331,"Molecular Formula":"C7H10N2","Molecular Weight":122.17,"Monoisotopic Mass":122.084398331,Charge:0,"Easy Name":"3-Methyl-1, 2-benzenediamine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"255 °C"},"Color And Form":{Value:"Crystals"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of 2,3-diaminotoluene stem from its toxicologic properties. Toxic by inhalation and ingestion, exposure to this crystalline substance may occur from its use as a chemical intermediate for corrosion inhibitors, and antioxidants (eg, benzimidazolethiol derivatives). In activities and situations where over-exposure may occur, wear protective clothing and a self-contained breathing apparatus. If contact should occur, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash expsosed skin thoroughly with soap and water. Remove contaminated clothing and shoes at the site. While 2,3-diaminotoluene does not ignite easily, it may burn with the production of irritating or poisonous gases. Runoff from fire control water may cause pollution. For fires involving this substance, extinguish with dry chemical, CO2, Halon, water spray, fog, or standard foam. Small spills of 2,3-diaminotoluene should be placed in a clean, dry, covered container (if in solution, take up with sand or other noncombustible absorbent) for later disposal. For large spills of 2,3-diaminotoluene solution, dike far ahead of the spill for later disposal."},"Melting Point":{Value:"63.5 °C"},Solubility:{Value:"In water, 2.31X10+4 mg/L at 25 °C (est)"},Uses:{Value:"CHEM INT FOR TOLYLTRIAZOLE USED AS A CORROSION INHIBITOR; CHEM INT FOR ANTIOXIDANTS, EG, BENZIMIDAZOLETHIOL DERIVS"},"Vapor Pressure":{Value:"1.20 kPa at 150 °C /0.000553 mm Hg at 25 °C/ (extrapolated)"}},ReducedFormula:"C7H10N2"},17601:{PUBCHEM:{CID:"17601","Compound Complexity":12.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitrosyl chloride","IUPAC Name CAS-like Style":"Nitrosyl chloride","IUPAC Name Markup":"Nitrosyl chloride","IUPAC Name Preferred":"Nitrosyl chloride","IUPAC Name Systematic":"Nitrosyl chloride","IUPAC Name Traditional":"Nitrosyl chloride",InChI:"1S/ClNO/c1-2-3",InChIKey:"VPCDQGACGWYTMC-UHFFFAOYSA-N","Log P":.7,"Exact Mass":64.9668413,"Molecular Formula":"ClNO","Molecular Weight":65.46,"Monoisotopic Mass":64.9668413,Charge:0,"Easy Name":"Nitrosyl chloride","Easy Category":"Oxohalides"},HSDB:{"Boiling Point":{Value:"-5.5 °C"},"Color And Form":{Value:"YELLOW GAS OR YELLOW-RED LIQUID OR CRYSTALS"},"Critical Temperature And Pressure":{Value:"167 °C; 92.4 ATM"},Density:{Value:"2.99 G/L (GAS); 1.417 @ -12 °C (LIQ)"},"Heat Of Vaporization":{Value:"164 BTU/LB= 91.0 CAL/G= 3.81X10+5 J/KG"},"Melting Point":{Value:"-64.5 °C"},Odor:{Value:"CHOKING ODOR"},Solubility:{Value:"SOL IN FUMING SULFURIC ACID"},Uses:{Value:"BLEACHING SUBSTANCE FOR FLOUR"},"Vapor Density":{Value:"2.3 (Air=1)"},"Vapor Pressure":{Value:"2,409 mm Hg at 25 °C, calculated from experimentally derived coefficients"}},ReducedFormula:"Cl1N1O1"},17607:{PUBCHEM:{CID:"17607","Compound Complexity":85.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfuryl fluoride","IUPAC Name CAS-like Style":"Sulfuryl difluoride","IUPAC Name Markup":"Sulfuryl difluoride","IUPAC Name Preferred":"Sulfuryl difluoride","IUPAC Name Systematic":"Sulfuryl difluoride","IUPAC Name Traditional":"Sulfuryl fluoride",InChI:"1S/F2O2S/c1-5(2,3)4",InChIKey:"OBTWBSRJZRCYQV-UHFFFAOYSA-N","Log P":.7,"Exact Mass":101.95870674,"Molecular Formula":"F2O2S","Molecular Weight":102.06,"Monoisotopic Mass":101.95870674,Charge:0,"Easy Name":"Sulfuryl fluoride","Easy Category":"Inorganic matter"},HSDB:{"Boiling Point":{Value:"-55.38 °C"},"Color And Form":{Value:"Colorless gas [Note: shipped as a liquified compressed gas]"},"Critical Temperature And Pressure":{Value:"CRITICAL TEMP: 96 + OR - 20 °C"},Density:{Value:"3.72 G/L (GAS), 1.7 G/L (LIQ)"},"Melting Point":{Value:"-135.82 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"4-5 ml gas/100 ml water; 24-27 ml gas/100 ml alc; 136-138 ml gas/100 ml carbon tetrachloride; 210-220 ml gas/100 ml toluene"},Uses:{Value:"For sulfuryl fluoride (USEPA/OPP Pesticide Code: 078003) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"3.5 (Air= 1)"},"Vapor Pressure":{Value:"1.7X10+6 Pa at 21 °C (12.8 mm Hg at 21.1 °C)"}},ReducedFormula:"F2O2S1"},17656:{PUBCHEM:{CID:"17656","Compound Complexity":56.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2-methylhex-2-ene","IUPAC Name CAS-like Style":"2-methyl-2-hexene","IUPAC Name Markup":"2-methylhex-2-ene","IUPAC Name Preferred":"2-methylhex-2-ene","IUPAC Name Systematic":"2-methylhex-2-ene","IUPAC Name Traditional":"2-methylhex-2-ene",InChI:"1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3",InChIKey:"BWEKDYGHDCHWEN-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"2-methyl-2-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},17913:{PUBCHEM:{CID:"17913","Compound Complexity":178,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"3,4-dihydroxycyclobut-3-ene-1,2-dione","IUPAC Name CAS-like Style":"3,4-dihydroxycyclobut-3-ene-1,2-dione","IUPAC Name Markup":"3,4-dihydroxycyclobut-3-ene-1,2-dione","IUPAC Name Preferred":"3,4-dihydroxycyclobut-3-ene-1,2-dione","IUPAC Name Systematic":"3,4-bis(oxidanyl)cyclobut-3-ene-1,2-dione","IUPAC Name Traditional":"3,4-dihydroxycyclobut-3-ene-1,2-quinone",InChI:"1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H",InChIKey:"PWEBUXCTKOWPCW-UHFFFAOYSA-N","Log P":-.7,"Exact Mass":113.995308543,"Molecular Formula":"C4H2O4","Molecular Weight":114.06,"Monoisotopic Mass":113.995308543,Charge:0,"Easy Name":"Squaric acid","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C4H2O4"},18174:{PUBCHEM:{CID:"18174","Compound Complexity":31.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltous;dithiocyanate","IUPAC Name CAS-like Style":"Cobalt(2+);dithiocyanate","IUPAC Name Markup":"Cobalt(2+);dithiocyanate","IUPAC Name Preferred":"Cobalt(2+);dithiocyanate","IUPAC Name Systematic":"Cobalt(2+);dithiocyanate","IUPAC Name Traditional":"Cobaltous;dithiocyanate",InChI:"1S/2CHNS.Co/c2*2-1-3;/h2*3H;/q;;+2/p-2",InChIKey:"INDBQWVYFLTCFF-UHFFFAOYSA-L","Exact Mass":174.883484,"Molecular Formula":"C2CoN2S2","Molecular Weight":175.1,"Monoisotopic Mass":174.883484,Charge:0,"Easy Name":"Cobalt (II) thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C2Co1N2S2"},18275:{PUBCHEM:{CID:"18275","Compound Complexity":508,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"Ammonium;2,4-dioxo-5-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)amino]-1H-pyrimidin-6-olate","IUPAC Name CAS-like Style":"Ammonium;2,4-dioxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidin-6-olate","IUPAC Name Markup":"Azanium;2,4-dioxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidin-6-olate","IUPAC Name Preferred":"Azanium;2,4-dioxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidin-6-olate","IUPAC Name Systematic":"Azanium;2,4-bis(oxidanylidene)-5-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]amino]-1H-pyrimidin-6-olate","IUPAC Name Traditional":"Ammonium;2,4-diketo-5-[(2,4,6-triketohexahydropyrimidin-5-ylidene)amino]-1H-pyrimidin-6-olate",InChI:"1S/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h(H2,10,11,14,15,18)(H3,12,13,16,17,19);1H3",InChIKey:"LJYRLGOJYKPILZ-UHFFFAOYSA-N","Exact Mass":284.050532,"Molecular Formula":"C8H8N6O6","Molecular Weight":284.19,"Monoisotopic Mass":284.050532,Charge:0,"Easy Name":"Murexide","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C8H8N6O6"},18303:{PUBCHEM:{CID:"18303","Compound Complexity":77.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"4-methyloxetan-2-one","IUPAC Name CAS-like Style":"4-methyl-2-oxetanone","IUPAC Name Markup":"4-methyloxetan-2-one","IUPAC Name Preferred":"4-methyloxetan-2-one","IUPAC Name Systematic":"4-methyloxetan-2-one","IUPAC Name Traditional":"4-methyloxetan-2-one",InChI:"1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3",InChIKey:"GSCLMSFRWBPUSK-UHFFFAOYSA-N","Log P":.3,"Exact Mass":86.036779433,"Molecular Formula":"C4H6O2","Molecular Weight":86.09,"Monoisotopic Mass":86.036779433,Charge:0,"Easy Name":"Beta-Butyrolactone","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C4H6O2"},18344:{PUBCHEM:{CID:"18344","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;diacetate","IUPAC Name CAS-like Style":"Iron(2+);diacetate","IUPAC Name Markup":"Iron(2+);diacetate","IUPAC Name Preferred":"Iron(2+);diacetate","IUPAC Name Systematic":"Iron(2+);diethanoate","IUPAC Name Traditional":"Ferrous;diacetate",InChI:"1S/2C2H4O2.Fe/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"LNOZJRCUHSPCDZ-UHFFFAOYSA-L","Exact Mass":173.961544,"Molecular Formula":"C4H6FeO4","Molecular Weight":173.93,"Monoisotopic Mass":173.961544,Charge:0,"Easy Name":"Iron (II) acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C4Fe1H6O4"},18505:{PUBCHEM:{CID:"18505","Compound Complexity":41.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1,2,2-trichloropropane","IUPAC Name CAS-like Style":"1,2,2-trichloropropane","IUPAC Name Markup":"1,2,2-trichloropropane","IUPAC Name Preferred":"1,2,2-trichloropropane","IUPAC Name Systematic":"1,2,2-tris(chloranyl)propane","IUPAC Name Traditional":"1,2,2-trichloropropane",InChI:"1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3",InChIKey:"DAIIXVPKQATIMF-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":145.945683,"Molecular Formula":"C3H5Cl3","Molecular Weight":147.43,"Monoisotopic Mass":145.945683,Charge:0,"Easy Name":"1, 2, 2-Trichloropropane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3Cl3H5"},18616:{PUBCHEM:{CID:"18616","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper;dinitrate","IUPAC Name CAS-like Style":"Copper;dinitrate","IUPAC Name Markup":"Copper;dinitrate","IUPAC Name Preferred":"Copper;dinitrate","IUPAC Name Systematic":"Copper;dinitrate","IUPAC Name Traditional":"Cupric;dinitrate",InChI:"1S/Cu.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"XTVVROIMIGLXTD-UHFFFAOYSA-N","Exact Mass":186.905233,"Molecular Formula":"CuN2O6","Molecular Weight":187.56,"Monoisotopic Mass":186.905233,Charge:0,"Easy Name":"Copper (II) nitrate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"Large, blue-green, orthorhombic crystals"},"Melting Point":{Value:"255-256 °C"},Solubility:{Value:"Sol in water, ethyl acetate, dioxane"},Uses:{Value:"For Copper(II) nitrate(USEPA/OPP Pesticide Code: 076102) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cu1N2O6"},18635:{PUBCHEM:{CID:"18635","Compound Complexity":36.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"3-methylsulfanylpropanal","IUPAC Name CAS-like Style":"3-(methylthio)propanal","IUPAC Name Markup":"3-methylsulfanylpropanal","IUPAC Name Preferred":"3-methylsulfanylpropanal","IUPAC Name Systematic":"3-methylsulfanylpropanal","IUPAC Name Traditional":"3-(methylthio)propionaldehyde",InChI:"1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3",InChIKey:"CLUWOWRTHNNBBU-UHFFFAOYSA-N","Log P":.3,"Exact Mass":104.02958605,"Molecular Formula":"C4H8OS","Molecular Weight":104.17,"Monoisotopic Mass":104.02958605,Charge:0,"Easy Name":"3- (Methylsulfanyl)propanal","Easy Category":"Aldehyde"},HSDB:{"Color And Form":{Value:"Colorless to pale yellow liquid"},"NFPA Hazard Classification":{Value:"0-2-0"},Odor:{Value:"Powerful, onion, meat-like odor"},"Refractive Index":{Value:"Refractive index: 1.482-1.493"},Solubility:{Value:"In water, 5.06X10+4 mg/L at 25 °C (est)"},Taste:{Value:"Pleasant, warm, meat and soup-like flavor at low levels"},"Vapor Pressure":{Value:"0.397 mm Hg at 25 °C"}},ReducedFormula:"C4H8O1S1"},18730:{PUBCHEM:{CID:"18730","Compound Complexity":668,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"3',6'-dihydroxy-6-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one","IUPAC Name CAS-like Style":"3',6'-dihydroxy-6-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one","IUPAC Name Markup":"3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one","IUPAC Name Preferred":"3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one","IUPAC Name Systematic":"6-isothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one","IUPAC Name Traditional":"3',6'-dihydroxy-6-isothiocyanato-spiro[phthalan-3,9'-xanthene]-1-one",InChI:"1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H",InChIKey:"MHMNJMPURVTYEJ-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":389.03579363,"Molecular Formula":"C21H11NO5S","Molecular Weight":389.4,"Monoisotopic Mass":389.03579363,Charge:0,"Easy Name":"Fluorescein isothiocyanate","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C21H11N1O5S1"},18746:{PUBCHEM:{CID:"18746","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;carbonate","IUPAC Name CAS-like Style":"Nickel(2+);carbonate","IUPAC Name Markup":"Nickel(2+);carbonate","IUPAC Name Preferred":"Nickel(2+);carbonate","IUPAC Name Systematic":"Nickel(2+);carbonate","IUPAC Name Traditional":"Nickelous;carbonate",InChI:"1S/CH2O3.Ni/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"ZULUUIKRFGGGTL-UHFFFAOYSA-L","Exact Mass":117.920086,"Molecular Formula":"CNiO3","Molecular Weight":118.702,"Monoisotopic Mass":117.920086,Charge:0,"Easy Name":"Nickel (II) carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Green rhombohedral crystals"},Density:{Value:"4.39 g/cu m"},Solubility:{Value:"93 mg/l water @ 25 °C"},Uses:{Value:"CHEM INTERMEDIATE FOR NICKEL OXIDE, NICKEL POWDER, NICKEL CATALYSTS."}},ReducedFormula:"C1Ni1O3"},18771:{PUBCHEM:{CID:"18771","Compound Complexity":629,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile","IUPAC Name CAS-like Style":"5,10-dioxobenzo[g][1,4]benzodithiin-2,3-dicarbonitrile","IUPAC Name Markup":"5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile","IUPAC Name Preferred":"5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile","IUPAC Name Systematic":"5,10-bis(oxidanylidene)benzo[g][1,4]benzodithiine-2,3-dicarbonitrile","IUPAC Name Traditional":"5,10-diketobenzo[g][1,4]benzodithiin-2,3-dicarbonitrile",InChI:"1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H",InChIKey:"PYZSVQVRHDXQSL-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":295.97141973,"Molecular Formula":"C14H4N2O2S2","Molecular Weight":296.3,"Monoisotopic Mass":295.97141973,Charge:0,"Easy Name":"Dithianone","Easy Category":"Fungicide"},HSDB:{"Color And Form":{Value:"Dark brown crystals, with a coppery luster"},Density:{Value:"1.58 g/cu cm at 20 °C"},"Melting Point":{Value:"220 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Sol in dioxane, chlorobenzene"},Uses:{Value:"For dithianon (USEPA/OPP Pesticide Code: 099201) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.03X10-11 mm Hg at 25 °C"}},ReducedFormula:"C14H4N2O2S2"},18845:{PUBCHEM:{CID:"18845","Compound Complexity":191,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid","IUPAC Name CAS-like Style":"(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Markup":"(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Preferred":"(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Systematic":"(2S,3R,4R,5S)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid","IUPAC Name Traditional":"(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-keto-hexanoic acid",InChI:"1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5+/m1/s1",InChIKey:"IAJILQKETJEXLJ-LECHCGJUSA-N","Log P":-2.6,"Exact Mass":194.04265266,"Molecular Formula":"C6H10O7","Molecular Weight":194.14,"Monoisotopic Mass":194.04265266,Charge:0,"Easy Name":"D-iduronic acid","Easy Category":"Uronic acid"},HSDB:{},ReducedFormula:"C6H10O7"},18848:{PUBCHEM:{CID:"18848","Compound Complexity":46,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"3-methylhex-1-ene","IUPAC Name CAS-like Style":"3-methyl-1-hexene","IUPAC Name Markup":"3-methylhex-1-ene","IUPAC Name Preferred":"3-methylhex-1-ene","IUPAC Name Systematic":"3-methylhex-1-ene","IUPAC Name Traditional":"3-methylhex-1-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3",InChIKey:"RITONZMLZWYPHW-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"3-Methyl-1-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},18849:{PUBCHEM:{CID:"18849","Compound Complexity":51.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"5-methylhex-2-ene","IUPAC Name CAS-like Style":"5-methyl-2-hexene","IUPAC Name Markup":"5-methylhex-2-ene","IUPAC Name Preferred":"5-methylhex-2-ene","IUPAC Name Systematic":"5-methylhex-2-ene","IUPAC Name Traditional":"5-methylhex-2-ene",InChI:"1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3",InChIKey:"GHBKCPRDHLITSE-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"5-Methyl-2-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},19005:{PUBCHEM:{CID:"19005","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;carbonate","IUPAC Name CAS-like Style":"Zinc;carbonate","IUPAC Name Markup":"Zinc;carbonate","IUPAC Name Preferred":"Zinc;carbonate","IUPAC Name Systematic":"Zinc;carbonate","IUPAC Name Traditional":"Zinc;carbonate",InChI:"1S/CH2O3.Zn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"FMRLDPWIRHBCCC-UHFFFAOYSA-L","Exact Mass":123.913886,"Molecular Formula":"CO3Zn","Molecular Weight":125.4,"Monoisotopic Mass":123.913886,Charge:0,"Easy Name":"Zinc carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"WHITE RHOMBIC CRYSTALS"},Density:{Value:"4.4 g/cu cm"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.818, 1.618"},Solubility:{Value:"0.001 G/100 G OF WATER AT 15 °C; SOL IN DIL ACIDS, ALKALIES & SOLN OF AMMONIUM SALTS."},Uses:{Value:"AS FIRE-PROOFING FILLER FOR RUBBER & PLASTIC COMPOSITIONS EXPOSED TO FLAME TEMPERATURE; IN COSMETICS & LOTIONS; MFR ZINC SALTS; AS FEED ADDITIVE, TOPICAL ANTISEPTIC."}},ReducedFormula:"C1O3Zn1"},19009:{PUBCHEM:{CID:"19009","Compound Complexity":475,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium","IUPAC Name CAS-like Style":"2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium","IUPAC Name Markup":"2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium","IUPAC Name Preferred":"2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium","IUPAC Name Systematic":"2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium","IUPAC Name Traditional":"2,3,9,10-tetramethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium",InChI:"1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",InChIKey:"QUCQEUCGKKTEBI-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":352.15488319,"Molecular Formula":"C21H22NO4+","Molecular Weight":352.4,"Monoisotopic Mass":352.15488319,Charge:1,"Easy Name":"Palmatine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"+1C21H22N1O4"},19233:{PUBCHEM:{CID:"19233","Compound Complexity":126,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name CAS-like Style":"(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name Markup":"(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name Preferred":"(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name Systematic":"(2R,3R,4S,5S)-2,3,4,5-tetrakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal",InChI:"1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1",InChIKey:"PNNNRSAQSRJVSB-BXKVDMCESA-N","Log P":-2.4,"Exact Mass":164.06847348,"Molecular Formula":"C6H12O5","Molecular Weight":164.16,"Monoisotopic Mass":164.06847348,Charge:0,"Easy Name":"L-Rhamnose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O5"},19309:{PUBCHEM:{CID:"19309","Compound Complexity":181,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"4-hydroxy-2,5-dimethyl-furan-3-one","IUPAC Name CAS-like Style":"4-hydroxy-2,5-dimethyl-3-furanone","IUPAC Name Markup":"4-hydroxy-2,5-dimethylfuran-3-one","IUPAC Name Preferred":"4-hydroxy-2,5-dimethylfuran-3-one","IUPAC Name Systematic":"2,5-dimethyl-4-oxidanyl-furan-3-one","IUPAC Name Traditional":"4-hydroxy-2,5-dimethyl-furan-3-one",InChI:"1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3",InChIKey:"INAXVXBDKKUCGI-UHFFFAOYSA-N","Log P":.7,"Exact Mass":128.047344117,"Molecular Formula":"C6H8O3","Molecular Weight":128.13,"Monoisotopic Mass":128.047344117,Charge:0,"Easy Name":"Furaneol","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"216 °C"},"Color And Form":{Value:"Beige powder"},"Melting Point":{Value:"77-79 °C"},Odor:{Value:"Relatively weak, nonspecific odor; dilute solutions develop a pineapple, strawberry-like odor"},Solubility:{Value:"In water, 0.315 g/mL at 25 °C"},Taste:{Value:"Caramel flavor"},"Vapor Density":{Value:"3.3 (Air = 1)"},"Vapor Pressure":{Value:"0.008 mm Hg at 25 °C"}},ReducedFormula:"C6H8O3"},19499:{PUBCHEM:{CID:"19499","Compound Complexity":73.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"But-2-enoic acid","IUPAC Name CAS-like Style":"2-butenoic acid","IUPAC Name Markup":"But-2-enoic acid","IUPAC Name Preferred":"But-2-enoic acid","IUPAC Name Systematic":"But-2-enoic acid","IUPAC Name Traditional":"But-2-enoic acid",InChI:"1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)",InChIKey:"LDHQCZJRKDOVOX-UHFFFAOYSA-N","Log P":.7,"Exact Mass":86.036779433,"Molecular Formula":"C4H6O2","Molecular Weight":86.09,"Monoisotopic Mass":86.036779433,Charge:0,"Easy Name":"2-Butenoic acid","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"185 °C"},"Color And Form":{Value:"MONOCLINIC NEEDLES OR PRISMS (FROM WATER OR PETROLEUM ETHER)"},Density:{Value:"Density = 1.018 at 15 °C/4 °C"},"Heat Of Vaporization":{Value:"13,252.2 gcal/gmole"},"Melting Point":{Value:"72 °C"},"NFPA Hazard Classification":{Value:"3-2-0"},"Refractive Index":{Value:"MAX ABSORPTION (ALC): 205 NM (LOG E= 4.20); INDEX OF REFRACTION: 1.4249 @ 77 °C/D; SADTLER REF NUMBER: 749 (IR, PRISM); 8091 (IR, GRATING); 247 (UV); 61 (NMR, VARIAN)"},Solubility:{Value:"VERY SOL IN WATER; SOL IN ETHER, ACETONE & IN HOT PETROLEUM ETHER"},Uses:{Value:"MFR OF COPOLYMERS WITH VINYL ACETATE USED IN LACQUERS & PAPER SIZING; MFR OF SOFTENING AGENTS FOR SYNTHETIC RUBBER; IN MEDICINAL CHEMISTRY, EG, MFR OF DL-THREONINE, VIT A"},"Vapor Density":{Value:"2.97 (air= 1)"},"Vapor Pressure":{Value:"24 Pa at 20 °C"}},ReducedFormula:"C4H6O2"},19589:{PUBCHEM:{CID:"19589","Compound Complexity":46,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"4-methylhex-1-ene","IUPAC Name CAS-like Style":"4-methyl-1-hexene","IUPAC Name Markup":"4-methylhex-1-ene","IUPAC Name Preferred":"4-methylhex-1-ene","IUPAC Name Systematic":"4-methylhex-1-ene","IUPAC Name Traditional":"4-methylhex-1-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3",InChIKey:"SUWJESCICIOQHO-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"4-Methyl-1-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},19654:{PUBCHEM:{CID:"19654","Compound Complexity":46.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloric acid","IUPAC Name CAS-like Style":"Chloric acid","IUPAC Name Markup":"Chloric acid","IUPAC Name Preferred":"Chloric acid","IUPAC Name Systematic":"Chloric acid","IUPAC Name Traditional":"Chloric acid",InChI:"1S/ClHO3/c2-1(3)4/h(H,2,3,4)",InChIKey:"XTEGARKTQYYJKE-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":83.9614216,"Molecular Formula":"ClHO3","Molecular Weight":84.46,"Monoisotopic Mass":83.9614216,Charge:0,"Easy Name":"Chloric acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"Cl1H1O3"},19883:{PUBCHEM:{CID:"19883","Compound Complexity":53,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichloro(thioxo)-lambda5-phosphane","IUPAC Name CAS-like Style":"Trichloro(sulfanylidene)phosphorane","IUPAC Name Markup":"Trichloro(sulfanylidene)-λ5-phosphane","IUPAC Name Preferred":"Trichloro(sulfanylidene)-lambda5-phosphane","IUPAC Name Systematic":"Tris(chloranyl)-sulfanylidene-lambda5-phosphane","IUPAC Name Traditional":"Trichloro(thioxo)phosphorane",InChI:"1S/Cl3PS/c1-4(2,3)5",InChIKey:"WQYSXVGEZYESBR-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":167.852391,"Molecular Formula":"Cl3PS","Molecular Weight":169.4,"Monoisotopic Mass":167.852391,Charge:0,"Easy Name":"Thiophosphoryl chloride","Easy Category":"Inorganic matter"},HSDB:{"Boiling Point":{Value:"125 °C @ 760 MM HG"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"1.635"},"Melting Point":{Value:"-35 °C"},Odor:{Value:"PUNGENT"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.635 @ 25 °C/D"},Solubility:{Value:"SOL IN BENZENE, CARBON TETRACHLORIDE, CARBON DISULFIDE, CHLOROFORM"},Uses:{Value:"Phosphorus sulfochloride is primarly used in the manufacture of insecticides eg, parathion."},"Vapor Density":{Value:"5.86 (AIR= 1)"},"Vapor Pressure":{Value:"vapor pressure = 16.35 mm Hg at 25 °C/ calculated from experimentally derived coefficients/"}},ReducedFormula:"Cl3P1S1"},19966:{PUBCHEM:{CID:"19966","Compound Complexity":35.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Hex-2-ene","IUPAC Name CAS-like Style":"2-hexene","IUPAC Name Markup":"Hex-2-ene","IUPAC Name Preferred":"Hex-2-ene","IUPAC Name Systematic":"Hex-2-ene","IUPAC Name Traditional":"Hex-2-ene",InChI:"1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3",InChIKey:"RYPKRALMXUUNKS-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":84.09390039,"Molecular Formula":"C6H12","Molecular Weight":84.16,"Monoisotopic Mass":84.09390039,Charge:0,"Easy Name":"2-Hexene","Easy Category":"Alkene"},HSDB:{Uses:{Value:"Used in the polymer, surfactant and detergent industries"},"Vapor Pressure":{Value:"Vapor pressure= 173 mm Hg @ 25 °C"}},ReducedFormula:"C6H12"},20024:{PUBCHEM:{CID:"20024","Compound Complexity":30.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"But-2-en-1-ol","IUPAC Name CAS-like Style":"2-buten-1-ol","IUPAC Name Markup":"But-2-en-1-ol","IUPAC Name Preferred":"But-2-en-1-ol","IUPAC Name Systematic":"But-2-en-1-ol","IUPAC Name Traditional":"But-2-en-1-ol",InChI:"1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3",InChIKey:"WCASXYBKJHWFMY-UHFFFAOYSA-N","Log P":.4,"Exact Mass":72.057514878,"Molecular Formula":"C4H8O","Molecular Weight":72.11,"Monoisotopic Mass":72.057514878,Charge:0,"Easy Name":"Crotyl alcohol","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C4H8O1"},20138:{PUBCHEM:{CID:"20138","Compound Complexity":45.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"But-2-enal","IUPAC Name CAS-like Style":"2-butenal","IUPAC Name Markup":"But-2-enal","IUPAC Name Preferred":"But-2-enal","IUPAC Name Systematic":"But-2-enal","IUPAC Name Traditional":"But-2-enal",InChI:"1S/C4H6O/c1-2-3-4-5/h2-4H,1H3",InChIKey:"MLUCVPSAIODCQM-UHFFFAOYSA-N","Log P":.5,"Exact Mass":70.041864813,"Molecular Formula":"C4H6O","Molecular Weight":70.09,"Monoisotopic Mass":70.041864813,Charge:0,"Easy Name":"Crotonaldehyde","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C4H6O1"},20486:{PUBCHEM:{CID:"20486","Compound Complexity":625,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2-chloro-4-[3-(3-chloro-4-hydroxy-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name CAS-like Style":"2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Markup":"2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol","IUPAC Name Preferred":"2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Systematic":"2-chloranyl-4-[3-(3-chloranyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Traditional":"2-chloro-4-[3-(3-chloro-4-hydroxy-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]phenol",InChI:"1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H",InChIKey:"WWAABJGNHFGXSJ-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":421.97825,"Molecular Formula":"C19H12Cl2O5S","Molecular Weight":423.3,"Monoisotopic Mass":421.97825,Charge:0,"Easy Name":"Chlorophenol red","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C19Cl2H12O5S1"},20524:{PUBCHEM:{CID:"20524","Compound Complexity":39.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"3-methylpentane-1,5-diol","IUPAC Name CAS-like Style":"3-methylpentane-1,5-diol","IUPAC Name Markup":"3-methylpentane-1,5-diol","IUPAC Name Preferred":"3-methylpentane-1,5-diol","IUPAC Name Systematic":"3-methylpentane-1,5-diol","IUPAC Name Traditional":"3-methylpentane-1,5-diol",InChI:"1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3",InChIKey:"SXFJDZNJHVPHPH-UHFFFAOYSA-N","Log P":.3,"Exact Mass":118.09937969,"Molecular Formula":"C6H14O2","Molecular Weight":118.17,"Monoisotopic Mass":118.09937969,Charge:0,"Easy Name":"3-Methyl-1, 5-pentanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C6H14O2"},20525:{PUBCHEM:{CID:"20525","Compound Complexity":183,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2,4,5-trimethoxybenzaldehyde","IUPAC Name CAS-like Style":"2,4,5-trimethoxybenzaldehyde","IUPAC Name Markup":"2,4,5-trimethoxybenzaldehyde","IUPAC Name Preferred":"2,4,5-trimethoxybenzaldehyde","IUPAC Name Systematic":"2,4,5-trimethoxybenzaldehyde","IUPAC Name Traditional":"2,4,5-trimethoxybenzaldehyde",InChI:"1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3",InChIKey:"IAJBQAYHSQIQRE-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":196.07355887,"Molecular Formula":"C10H12O4","Molecular Weight":196.2,"Monoisotopic Mass":196.07355887,Charge:0,"Easy Name":"2, 4, 5-Trimethoxybenzaldehyde","Easy Category":"Aldehyde"},HSDB:{"Melting Point":{Value:"114 °C"},Solubility:{Value:"Soluble in water, ethyl ether, chloroform, ligroin"},Uses:{Value:"/Alkoxybenzaldehydes/, useful as intermediates for pharmaceuticals and agrochemicals"},"Vapor Pressure":{Value:"1.13X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H12O4"},20653:{PUBCHEM:{CID:"20653","Compound Complexity":88.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-methylhexanoic acid","IUPAC Name CAS-like Style":"2-methylhexanoic acid","IUPAC Name Markup":"2-methylhexanoic acid","IUPAC Name Preferred":"2-methylhexanoic acid","IUPAC Name Systematic":"2-methylhexanoic acid","IUPAC Name Traditional":"2-methylhexanoic acid",InChI:"1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",InChIKey:"CVKMFSAVYPAZTQ-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":130.09937969,"Molecular Formula":"C7H14O2","Molecular Weight":130.18,"Monoisotopic Mass":130.09937969,Charge:0,"Easy Name":"2-Methylhexanoic Acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H14O2"},20737:{PUBCHEM:{CID:"20737","Compound Complexity":142,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4,6-tribromo-3-methyl-phenol","IUPAC Name CAS-like Style":"2,4,6-tribromo-3-methylphenol","IUPAC Name Markup":"2,4,6-tribromo-3-methylphenol","IUPAC Name Preferred":"2,4,6-tribromo-3-methylphenol","IUPAC Name Systematic":"2,4,6-tris(bromanyl)-3-methyl-phenol","IUPAC Name Traditional":"2,4,6-tribromo-3-methyl-phenol",InChI:"1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3",InChIKey:"QKHROXOPRBWBDD-UHFFFAOYSA-N","Log P":4,"Exact Mass":343.787,"Molecular Formula":"C7H5Br3O","Molecular Weight":344.83,"Monoisotopic Mass":341.78905,Charge:0,"Easy Name":"Tribromometacresol","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"Br3C7H5O1"},20946:{PUBCHEM:{CID:"20946","Compound Complexity":55.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"3-methylhept-1-ene","IUPAC Name CAS-like Style":"3-methyl-1-heptene","IUPAC Name Markup":"3-methylhept-1-ene","IUPAC Name Preferred":"3-methylhept-1-ene","IUPAC Name Systematic":"3-methylhept-1-ene","IUPAC Name Traditional":"3-methylhept-1-ene",InChI:"1S/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3",InChIKey:"QDMFTFWKTYXBIW-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"3-Methyl-1-heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},20966:{PUBCHEM:{CID:"20966","Compound Complexity":573,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoic acid","IUPAC Name CAS-like Style":"(2S)-2-[[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]-oxomethyl]amino]-3-phenylpropanoic acid","IUPAC Name Markup":"(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid","IUPAC Name Preferred":"(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid","IUPAC Name Systematic":"(2S)-2-[[(3R)-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid","IUPAC Name Traditional":"(2S)-2-[[(3R)-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl]amino]-3-phenyl-propionic acid",InChI:"1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1",InChIKey:"DAEYIVCTQUFNTM-ABAIWWIYSA-N","Log P":4.1,"Exact Mass":369.12123733,"Molecular Formula":"C20H19NO6","Molecular Weight":369.4,"Monoisotopic Mass":369.12123733,Charge:0,"Easy Name":"Ochratoxin B","Easy Category":"Amide"},HSDB:{"Color And Form":{Value:"Crystals from methanol"},Density:{Value:"pKa1 = 3.3 (carboxyl); pKa2 = 7.0 (hydroxyl) (est)"},"Melting Point":{Value:"221 °C ... also reported as 208-209 °C"},Solubility:{Value:"In water, 4.40 mg/L at 25 °C (est)"},Uses:{Value:"Experimentally as teratogen and carcinogen /Ochratoxins/"},"Vapor Pressure":{Value:"6.39X10-15 mm Hg at 25 °C (est)"}},ReducedFormula:"C20H19N1O6"},20997:{PUBCHEM:{CID:"20997","Compound Complexity":637,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":7,"IUPAC Name Allowed":"Ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoate","IUPAC Name CAS-like Style":"(2S)-2-[[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester","IUPAC Name Markup":"Ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate","IUPAC Name Preferred":"Ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate","IUPAC Name Systematic":"Ethyl (2S)-2-[[(3R)-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoate","IUPAC Name Traditional":"(2S)-2-[[(3R)-5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl]amino]-3-phenyl-propionic acid ethyl ester",InChI:"1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12-,17+/m1/s1",InChIKey:"BPZZWRPHVVDAPT-PXAZEXFGSA-N","Log P":5.4,"Exact Mass":431.1135651,"Molecular Formula":"C22H22ClNO6","Molecular Weight":431.9,"Monoisotopic Mass":431.1135651,Charge:0,"Easy Name":"Ochratoxin C","Easy Category":"Amide"},HSDB:{"Color And Form":{Value:"Amorphous solid"},Solubility:{Value:"In water, 0.2734 mg/L at 25 °C (est)"},Uses:{Value:"Experimentally as teratogen and carcinogen /Ochratoxins/"},"Vapor Pressure":{Value:"1.81X10-15 mm Hg at 25 °C (est)"}},ReducedFormula:"C22Cl1H22N1O6"},21082:{PUBCHEM:{CID:"21082","Compound Complexity":203,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Anthracene-9,10-diol","IUPAC Name CAS-like Style":"Anthracene-9,10-diol","IUPAC Name Markup":"Anthracene-9,10-diol","IUPAC Name Preferred":"Anthracene-9,10-diol","IUPAC Name Systematic":"Anthracene-9,10-diol","IUPAC Name Traditional":"Anthracene-9,10-diol",InChI:"1S/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H",InChIKey:"PCFMUWBCZZUMRX-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":210.068079562,"Molecular Formula":"C14H10O2","Molecular Weight":210.23,"Monoisotopic Mass":210.068079562,Charge:0,"Easy Name":"9, 10-Dihydroxyanthracene","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C14H10O2"},21122:{PUBCHEM:{CID:"21122","Compound Complexity":53.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"6-methylhept-1-ene","IUPAC Name CAS-like Style":"6-methyl-1-heptene","IUPAC Name Markup":"6-methylhept-1-ene","IUPAC Name Preferred":"6-methylhept-1-ene","IUPAC Name Systematic":"6-methylhept-1-ene","IUPAC Name Traditional":"6-methylhept-1-ene",InChI:"1S/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3",InChIKey:"DFVOXRAAHOJJBN-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"6-Methyl-1-heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},21180:{PUBCHEM:{CID:"21180","Compound Complexity":220,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine","IUPAC Name CAS-like Style":"N,N-dimethyl-2-[5-(methylthio)-1H-indol-3-yl]ethanamine","IUPAC Name Markup":"N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine","IUPAC Name Preferred":"N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine","IUPAC Name Systematic":"N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine","IUPAC Name Traditional":"Dimethyl-[2-[5-(methylthio)-1H-indol-3-yl]ethyl]amine",InChI:"1S/C13H18N2S/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3",InChIKey:"YOGJZQGRTVMCPY-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":234.11906976,"Molecular Formula":"C13H18N2S","Molecular Weight":234.36,"Monoisotopic Mass":234.11906976,Charge:0,"Easy Name":"5-MeS-DMT","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C13H18N2S1"},21223:{PUBCHEM:{CID:"21223","Compound Complexity":1500,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"Disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate","IUPAC Name CAS-like Style":"Disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate","IUPAC Name Markup":"Disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate","IUPAC Name Preferred":"Disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate","IUPAC Name Systematic":"Disodium;3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]phenyl]amino]methyl]benzenesulfonate","IUPAC Name Traditional":"Disodium;3-[[N-ethyl-4-[[4-[ethyl-(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]besylate",InChI:"1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2",InChIKey:"DGOBMKYRQHEFGQ-UHFFFAOYSA-L","Exact Mass":792.12218277,"Molecular Formula":"C37H34N2Na2O9S3","Molecular Weight":792.9,"Monoisotopic Mass":792.12218277,Charge:0,"Easy Name":"Light Green SF","Easy Category":"Dye"},HSDB:{"Color And Form":{Value:"Deep-purple powder"},"Melting Point":{Value:"288 °C (decomposes)"},Solubility:{Value:"In 2-methoxyethanol 100 mg/mL, ethanol 2 mg/mL, temperature not specified"},"Vapor Pressure":{Value:"2.97X10-42 mm Hg at 25 °C (est)"}},ReducedFormula:"C37H34N2Na2O9S3"},21307:{PUBCHEM:{CID:"21307","Compound Complexity":295,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","IUPAC Name CAS-like Style":"6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide","IUPAC Name Markup":"6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","IUPAC Name Preferred":"6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","IUPAC Name Systematic":"6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","IUPAC Name Traditional":"6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide",InChI:"1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",InChIKey:"GYSSRZJIHXQEHQ-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":235.06669984,"Molecular Formula":"C12H13NO2S","Molecular Weight":235.3,"Monoisotopic Mass":235.06669984,Charge:0,"Easy Name":"Carboxin","Easy Category":"Organic compound"},HSDB:{"Color And Form":{Value:"CRYSTALS FROM ETHANOL OR METHANOL"},Density:{Value:"1.7 g/mL"},"Melting Point":{Value:"91.5 to 92.5 °C and 98 to 101 °C, reflecting two crystalline structures which revert to one in solution."},Solubility:{Value:"221.2 g/L in acetone, 89.33 g/L in methanol, 107.7 g/L in ethyl acetate, all at 20 °C."},Uses:{Value:"For carboxin (USEPA/OPP Pesticide Code: 090201) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.5X10-7 mm Hg at 25 °C"}},ReducedFormula:"C12H13N1O2S1"},21330:{PUBCHEM:{CID:"21330","Compound Complexity":455,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","IUPAC Name CAS-like Style":"6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide","IUPAC Name Markup":"6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","IUPAC Name Preferred":"6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","IUPAC Name Systematic":"6-methyl-4,4-bis(oxidanylidene)-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","IUPAC Name Traditional":"4,4-diketo-6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide",InChI:"1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",InChIKey:"AMEKQAFGQBKLKX-UHFFFAOYSA-N","Log P":.7,"Exact Mass":267.05652908,"Molecular Formula":"C12H13NO4S","Molecular Weight":267.3,"Monoisotopic Mass":267.05652908,Charge:0,"Easy Name":"Oxycarboxin","Easy Category":"Organic compound"},HSDB:{"Color And Form":{Value:"OFF-WHITE CRYSTALS"},Density:{Value:"1.41 g/cu cm"},"Melting Point":{Value:"119.5 to 121.5 °C"},Solubility:{Value:"In water, 1,400 mg/L at 25 °C"},Uses:{Value:"For oxycarboxin (USEPA/OPP Pesticide Code: 090202) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"4.2X10-8 mm Hg"}},ReducedFormula:"C12H13N1O4S1"},21491:{PUBCHEM:{CID:"21491","Compound Complexity":282,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name CAS-like Style":"1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Markup":"1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Preferred":"1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Systematic":"1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Traditional":"1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid",InChI:"1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",InChIKey:"LSPHULWDVZXLIL-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":200.10485899,"Molecular Formula":"C10H16O4","Molecular Weight":200.23,"Monoisotopic Mass":200.10485899,Charge:0,"Easy Name":"Camphoric acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O4"},21508:{PUBCHEM:{CID:"21508","Compound Complexity":30.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3-dibromobutane","IUPAC Name CAS-like Style":"2,3-dibromobutane","IUPAC Name Markup":"2,3-dibromobutane","IUPAC Name Preferred":"2,3-dibromobutane","IUPAC Name Systematic":"2,3-bis(bromanyl)butane","IUPAC Name Traditional":"2,3-dibromobutane",InChI:"1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3",InChIKey:"BXXWFOGWXLJPPA-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":215.89723,"Molecular Formula":"C4H8Br2","Molecular Weight":215.91,"Monoisotopic Mass":213.89928,Charge:0,"Easy Name":"2, 3-Dibromobutane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C4H8"},21765:{PUBCHEM:{CID:"21765","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrogen telluride","IUPAC Name CAS-like Style":"Tellane","IUPAC Name Markup":"Tellane","IUPAC Name Preferred":"Tellane","IUPAC Name Systematic":"Tellane","IUPAC Name Traditional":"Hydrogen telluride",InChI:"1S/H2Te/h1H2",InChIKey:"VTLHPSMQDDEFRU-UHFFFAOYSA-N","Exact Mass":131.9218728,"Molecular Formula":"H2Te","Molecular Weight":129.6,"Monoisotopic Mass":131.9218728,Charge:0,"Easy Name":"Hydrogen telluride","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2Te1"},22085:{PUBCHEM:{CID:"22085","Compound Complexity":644,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"Ethyl 2,2-bis(2,4-dinitrophenyl)acetate","IUPAC Name CAS-like Style":"2,2-bis(2,4-dinitrophenyl)acetic acid ethyl ester","IUPAC Name Markup":"Ethyl 2,2-bis(2,4-dinitrophenyl)acetate","IUPAC Name Preferred":"Ethyl 2,2-bis(2,4-dinitrophenyl)acetate","IUPAC Name Systematic":"Ethyl 2,2-bis(2,4-dinitrophenyl)ethanoate","IUPAC Name Traditional":"2,2-bis(2,4-dinitrophenyl)acetic acid ethyl ester",InChI:"1S/C16H12N4O10/c1-2-30-16(21)15(11-5-3-9(17(22)23)7-13(11)19(26)27)12-6-4-10(18(24)25)8-14(12)20(28)29/h3-8,15H,2H2,1H3",InChIKey:"CMVIALRRHVVWIW-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":420.0553426,"Molecular Formula":"C16H12N4O10","Molecular Weight":420.29,"Monoisotopic Mass":420.0553426,Charge:0,"Easy Name":"Ethyl bis (2, 4-dinitrophenyl)acetate","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C16H12N4O10"},22197:{PUBCHEM:{CID:"22197","Compound Complexity":53.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;2-hydroxypropanoate","IUPAC Name CAS-like Style":"2-hydroxypropanoate;iron(2+)","IUPAC Name Markup":"2-hydroxypropanoate;iron(2+)","IUPAC Name Preferred":"2-hydroxypropanoate;iron(2+)","IUPAC Name Systematic":"Iron(2+);2-oxidanylpropanoate","IUPAC Name Traditional":"Ferrous;lactate",InChI:"1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",InChIKey:"DKKCQDROTDCQOR-UHFFFAOYSA-L","Exact Mass":233.982674,"Molecular Formula":"C6H10FeO6","Molecular Weight":233.98,"Monoisotopic Mass":233.982674,Charge:0,"Easy Name":"Iron (II) lactate","Easy Category":"Organic salt"},HSDB:{Uses:{Value:"Food coloring; hematinic"}},ReducedFormula:"C6Fe1H10O6"},22316:{PUBCHEM:{CID:"22316","Compound Complexity":42.9,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"2-aminoacetic acid;hydrochloride","IUPAC Name CAS-like Style":"2-aminoacetic acid;hydrochloride","IUPAC Name Markup":"2-aminoacetic acid;hydrochloride","IUPAC Name Preferred":"2-aminoacetic acid;hydrochloride","IUPAC Name Systematic":"2-azanylethanoic acid;hydrochloride","IUPAC Name Traditional":"2-aminoacetic acid;hydrochloride",InChI:"1S/C2H5NO2.ClH/c3-1-2(4)5;/h1,3H2,(H,4,5);1H",InChIKey:"IVLXQGJVBGMLRR-UHFFFAOYSA-N","Exact Mass":111.0087061,"Molecular Formula":"C2H6ClNO2","Molecular Weight":111.53,"Monoisotopic Mass":111.0087061,Charge:0,"Easy Name":"Glycine hydrochloride","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C2Cl1H6N1O2"},22386:{PUBCHEM:{CID:"22386","Compound Complexity":27.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Pentan-2-ol","IUPAC Name CAS-like Style":"2-pentanol","IUPAC Name Markup":"Pentan-2-ol","IUPAC Name Preferred":"Pentan-2-ol","IUPAC Name Systematic":"Pentan-2-ol","IUPAC Name Traditional":"Pentan-2-ol",InChI:"1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",InChIKey:"JYVLIDXNZAXMDK-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":88.08881501,"Molecular Formula":"C5H12O","Molecular Weight":88.15,"Monoisotopic Mass":88.08881501,Charge:0,"Easy Name":"2-Pentanol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O1"},22468:{PUBCHEM:{CID:"22468","Compound Complexity":53.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2-methylhex-1-ene","IUPAC Name CAS-like Style":"2-methyl-1-hexene","IUPAC Name Markup":"2-methylhex-1-ene","IUPAC Name Preferred":"2-methylhex-1-ene","IUPAC Name Systematic":"2-methylhex-1-ene","IUPAC Name Traditional":"2-methylhex-1-ene",InChI:"1S/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3",InChIKey:"IRUDSQHLKGNCGF-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"2-methyl-1-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},22475:{PUBCHEM:{CID:"22475","Compound Complexity":284,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":11,"IUPAC Name Allowed":"Trimethyl-[2-[4-oxo-4-[2-(trimethylammonio)ethoxy]butanoyl]oxyethyl]ammonium;dichloride","IUPAC Name CAS-like Style":"2-[1,4-dioxo-4-[2-(trimethylammonio)ethoxy]butoxy]ethyl-trimethylammonium;dichloride","IUPAC Name Markup":"Trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;dichloride","IUPAC Name Preferred":"Trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;dichloride","IUPAC Name Systematic":"Trimethyl-[2-[4-oxidanylidene-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;dichloride","IUPAC Name Traditional":"2-[4-keto-4-[2-(trimethylammonio)ethoxy]butanoyl]oxyethyl-trimethyl-ammonium;dichloride",InChI:"1S/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",InChIKey:"YOEWQQVKRJEPAE-UHFFFAOYSA-L","Exact Mass":360.1582628,"Molecular Formula":"C14H30Cl2N2O4","Molecular Weight":361.3,"Monoisotopic Mass":360.1582628,Charge:0,"Easy Name":"Suxamethonium chloride","Easy Category":"Pharmaceutical drug"},HSDB:{Uses:{Value:"MEDICATION"}},ReducedFormula:"C14Cl2H30N2O4"},22530:{PUBCHEM:{CID:"22530","Compound Complexity":350,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole","IUPAC Name CAS-like Style":"2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole","IUPAC Name Markup":"5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole","IUPAC Name Preferred":"5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole","IUPAC Name Systematic":"2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole","IUPAC Name Traditional":"5-benzyl-2-methyl-3,4-dihydro-1H-pyrid[4,3-b]indole",InChI:"1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3",InChIKey:"FQQIIPAOSKSOJM-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":276.16264865,"Molecular Formula":"C19H20N2","Molecular Weight":276.4,"Monoisotopic Mass":276.16264865,Charge:0,"Easy Name":"Mebhydrolin","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C19H20N2"},22541:{PUBCHEM:{CID:"22541","Compound Complexity":69.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2-tert-butoxy-2-methyl-propane","IUPAC Name CAS-like Style":"2-methyl-2-[(2-methylpropan-2-yl)oxy]propane","IUPAC Name Markup":"2-methyl-2-[(2-methylpropan-2-yl)oxy]propane","IUPAC Name Preferred":"2-methyl-2-[(2-methylpropan-2-yl)oxy]propane","IUPAC Name Systematic":"2-methyl-2-[(2-methylpropan-2-yl)oxy]propane","IUPAC Name Traditional":"2-tert-butoxy-2-methyl-propane",InChI:"1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3",InChIKey:"AQEFLFZSWDEAIP-UHFFFAOYSA-N","Log P":2,"Exact Mass":130.1357652,"Molecular Formula":"C8H18O","Molecular Weight":130.23,"Monoisotopic Mass":130.1357652,Charge:0,"Easy Name":"Di-tert-butyl ether","Easy Category":"Ether"},HSDB:{},ReducedFormula:"C8H18O1"},22904:{PUBCHEM:{CID:"22904","Compound Complexity":233,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"Dodec-2-enedioic acid","IUPAC Name CAS-like Style":"2-dodecenedioic acid","IUPAC Name Markup":"Dodec-2-enedioic acid","IUPAC Name Preferred":"Dodec-2-enedioic acid","IUPAC Name Systematic":"Dodec-2-enedioic acid","IUPAC Name Traditional":"Dodec-2-enedioic acid",InChI:"1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)",InChIKey:"MAZWDMBCPDUFDJ-UHFFFAOYSA-N","Log P":3,"Exact Mass":228.13615912,"Molecular Formula":"C12H20O4","Molecular Weight":228.28,"Monoisotopic Mass":228.13615912,Charge:0,"Easy Name":"2-Dodecenedioic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H20O4"},22985:{PUBCHEM:{CID:"22985","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;nitrate","IUPAC Name CAS-like Style":"Ammonium;nitrate","IUPAC Name Markup":"Azanium;nitrate","IUPAC Name Preferred":"Azanium;nitrate","IUPAC Name Systematic":"Azanium;nitrate","IUPAC Name Traditional":"Ammonium;nitrate",InChI:"1S/NO3.H3N/c2-1(3)4;/h;1H3/q-1;/p+1",InChIKey:"DVARTQFDIMZBAA-UHFFFAOYSA-O","Exact Mass":80.022191997,"Molecular Formula":"H4N2O3","Molecular Weight":80.044,"Monoisotopic Mass":80.022191997,Charge:0,"Easy Name":"Ammonium nitrate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes at 200-260 °C"},"Color And Form":{Value:"White hygroscopic crystals; orthorhombic"},Density:{Value:"1.72 at 25 °C"},"Melting Point":{Value:"169.7 °C"},Odor:{Value:"Odorless"},pH:{Value:"0.1 M solution in water: 5.43"},Solubility:{Value:"213 g/100 g water at 25 °C"},Uses:{Value:"For ammonium nitrate (USEPA/OPP Pesticide Code: 076101) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.3 kPa at 20 °C in water solution; 1.5 kPa at 20 °C in saturated NH4NOs solution"}},ReducedFormula:"H4N2O3"},23056:{PUBCHEM:{CID:"23056","Compound Complexity":442,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"Quinuclidin-3-yl 2-hydroxy-2,2-diphenyl-acetate","IUPAC Name CAS-like Style":"2-hydroxy-2,2-diphenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester","IUPAC Name Markup":"1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate","IUPAC Name Preferred":"1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate","IUPAC Name Systematic":"1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2,2-diphenyl-ethanoate","IUPAC Name Traditional":"2-hydroxy-2,2-diphenyl-acetic acid quinuclidin-3-yl ester",InChI:"1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2",InChIKey:"HGMITUYOCPPQLE-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":337.1677936,"Molecular Formula":"C21H23NO3","Molecular Weight":337.4,"Monoisotopic Mass":337.1677936,Charge:0,"Easy Name":"3-Quinuclidinyl benzilate","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"Crystalline solid"},"Heat Of Vaporization":{Value:"Between 170-194 °C 62.9 calories per gram"},"Melting Point":{Value:"164 °C"},Odor:{Value:"Slight benzene smell"},Solubility:{Value:"Stable in most solvents ... soluble in propylene glycol, DMSO, and other solvents."},Uses:{Value:"Hallucinogenic chemical warfare agent"},"Vapor Density":{Value:"11.6 (Air = 1)"},"Vapor Pressure":{Value:"2.38X10-10 mm Hg at 25 °C (est)"}},ReducedFormula:"C21H23N1O3"},23087:{PUBCHEM:{CID:"23087","Compound Complexity":199,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"Butyl 2-cyanoprop-2-enoate","IUPAC Name CAS-like Style":"2-cyano-2-propenoic acid butyl ester","IUPAC Name Markup":"Butyl 2-cyanoprop-2-enoate","IUPAC Name Preferred":"Butyl 2-cyanoprop-2-enoate","IUPAC Name Systematic":"Butyl 2-cyanoprop-2-enoate","IUPAC Name Traditional":"2-cyanoacrylic acid butyl ester",InChI:"1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3",InChIKey:"JJJFUHOGVZWXNQ-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":153.0789786,"Molecular Formula":"C8H11NO2","Molecular Weight":153.18,"Monoisotopic Mass":153.0789786,Charge:0,"Easy Name":"Butyl cyanoacrylate","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C8H11N1O2"},23167:{PUBCHEM:{CID:"23167","Compound Complexity":250,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"Octyl 2-cyanoprop-2-enoate","IUPAC Name CAS-like Style":"2-cyano-2-propenoic acid octyl ester","IUPAC Name Markup":"Octyl 2-cyanoprop-2-enoate","IUPAC Name Preferred":"Octyl 2-cyanoprop-2-enoate","IUPAC Name Systematic":"Octyl 2-cyanoprop-2-enoate","IUPAC Name Traditional":"2-cyanoacrylic acid octyl ester",InChI:"1S/C12H19NO2/c1-3-4-5-6-7-8-9-15-12(14)11(2)10-13/h2-9H2,1H3",InChIKey:"RPQUGMLCZLGZTG-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":209.14157886,"Molecular Formula":"C12H19NO2","Molecular Weight":209.28,"Monoisotopic Mass":209.14157886,Charge:0,"Easy Name":"Octyl cyanoacrylate","Easy Category":"Nitriles"},HSDB:{},ReducedFormula:"C12H19N1O2"},23234:{PUBCHEM:{CID:"23234","Compound Complexity":64.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hex-3-enal","IUPAC Name CAS-like Style":"3-hexenal","IUPAC Name Markup":"Hex-3-enal","IUPAC Name Preferred":"Hex-3-enal","IUPAC Name Systematic":"Hex-3-enal","IUPAC Name Traditional":"Hex-3-enal",InChI:"1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3",InChIKey:"GXANMBISFKBPEX-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":98.073164942,"Molecular Formula":"C6H10O","Molecular Weight":98.14,"Monoisotopic Mass":98.073164942,Charge:0,"Easy Name":"3-hexenal","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1"},23266:{PUBCHEM:{CID:"23266","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;dioxido(oxo)silane","IUPAC Name CAS-like Style":"Disodium;dioxido(oxo)silane","IUPAC Name Markup":"Disodium;dioxido(oxo)silane","IUPAC Name Preferred":"Disodium;dioxido(oxo)silane","IUPAC Name Systematic":"Disodium;bis(oxidanidyl)-oxidanylidene-silane","IUPAC Name Traditional":"Disodium;keto(dioxido)silane",InChI:"1S/2Na.O3Si/c;;1-4(2)3/q2*+1;-2",InChIKey:"NTHWMYGWWRZVTN-UHFFFAOYSA-N","Exact Mass":121.94120896,"Molecular Formula":"Na2O3Si","Molecular Weight":122.063,"Monoisotopic Mass":121.94120896,Charge:0,"Easy Name":"Sodium silicate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"COLORLESS TO WHITE OR GRAYISH-WHITE, CRYSTAL-LIKE PIECES OR LUMPS"},pH:{Value:"AQ SOLN ARE STRONGLY ALKALINE"},Solubility:{Value:"VERY SLIGHTLY SOL OR ALMOST INSOL IN COLD WATER; LESS READILY SOL IN LARGE AMT OF WATER THAN IN SMALL AMT; ANHYD DISSOLVE WITH MORE DIFFICULTY THAN HYDRATE IN WATER"},Uses:{Value:"LINING BESSEMER CONVERTERS, ACID CONCENTRATERS; MFR GRINDSTONES, ABRASIVE WHEELS (AS BINDER ONLY)."}},ReducedFormula:"Na2O3Si1"},23272:{PUBCHEM:{CID:"23272","Compound Complexity":53.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2-methyl-2-nitroso-propane","IUPAC Name CAS-like Style":"2-methyl-2-nitrosopropane","IUPAC Name Markup":"2-methyl-2-nitrosopropane","IUPAC Name Preferred":"2-methyl-2-nitrosopropane","IUPAC Name Systematic":"2-methyl-2-nitroso-propane","IUPAC Name Traditional":"2-methyl-2-nitroso-propane",InChI:"1S/C4H9NO/c1-4(2,3)5-6/h1-3H3",InChIKey:"LUQZKEZPFQRRRK-UHFFFAOYSA-N","Log P":.5,"Exact Mass":87.068413914,"Molecular Formula":"C4H9NO","Molecular Weight":87.12,"Monoisotopic Mass":87.068413914,Charge:0,"Easy Name":"2-Methyl-2-nitrosopropane","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C4H9N1O1"},23740:{PUBCHEM:{CID:"23740","Compound Complexity":124,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrapotassium;phosphonato phosphate","IUPAC Name CAS-like Style":"Tetrapotassium;phosphonato phosphate","IUPAC Name Markup":"Tetrapotassium;phosphonato phosphate","IUPAC Name Preferred":"Tetrapotassium;phosphonato phosphate","IUPAC Name Systematic":"Tetrapotassium;phosphonato phosphate","IUPAC Name Traditional":"Tetrapotassium;phosphonato phosphate",InChI:"1S/4K.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4",InChIKey:"RYCLIXPGLDDLTM-UHFFFAOYSA-J","Exact Mass":329.7667523,"Molecular Formula":"K4O7P2","Molecular Weight":330.34,"Monoisotopic Mass":329.7667523,Charge:0,"Easy Name":"Tetrapotassium diphosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K4O7P2"},23912:{PUBCHEM:{CID:"23912","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dysprosium","IUPAC Name CAS-like Style":"Dysprosium","IUPAC Name Markup":"Dysprosium","IUPAC Name Preferred":"Dysprosium","IUPAC Name Systematic":"Dysprosium","IUPAC Name Traditional":"Dysprosium",InChI:"1S/Dy",InChIKey:"KBQHZAAAGSGFKK-UHFFFAOYSA-N","Exact Mass":163.92918,"Molecular Formula":"Dy","Molecular Weight":162.5,"Monoisotopic Mass":163.92918,Charge:0,"Easy Name":"Dysprosium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Dy1"},23913:{PUBCHEM:{CID:"23913","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Einsteinium","IUPAC Name CAS-like Style":"Einsteinium","IUPAC Name Markup":"Einsteinium","IUPAC Name Preferred":"Einsteinium","IUPAC Name Systematic":"Einsteinium","IUPAC Name Traditional":"Einsteinium",InChI:"1S/Es",InChIKey:"CKBRQZNRCSJHFT-UHFFFAOYSA-N","Exact Mass":252.083,"Molecular Formula":"Es","Molecular Weight":252.083,"Monoisotopic Mass":252.083,Charge:0,"Easy Name":"Einsteinium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Es1"},23914:{PUBCHEM:{CID:"23914","Compound Complexity":404,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3-(2-ethylphenyl)-2-methyl-quinazolin-4-one","IUPAC Name CAS-like Style":"3-(2-ethylphenyl)-2-methyl-4-quinazolinone","IUPAC Name Markup":"3-(2-ethylphenyl)-2-methylquinazolin-4-one","IUPAC Name Preferred":"3-(2-ethylphenyl)-2-methylquinazolin-4-one","IUPAC Name Systematic":"3-(2-ethylphenyl)-2-methyl-quinazolin-4-one","IUPAC Name Traditional":"3-(2-ethylphenyl)-2-methyl-quinazolin-4-one",InChI:"1S/C17H16N2O/c1-3-13-8-4-7-11-16(13)19-12(2)18-15-10-6-5-9-14(15)17(19)20/h4-11H,3H2,1-2H3",InChIKey:"UVTJKLLUVOTSOB-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":264.12626314,"Molecular Formula":"C17H16N2O","Molecular Weight":264.32,"Monoisotopic Mass":264.12626314,Charge:0,"Easy Name":"Etaqualone","Easy Category":"Quinazolinones"},HSDB:{},ReducedFormula:"C17H16N2O1"},23924:{PUBCHEM:{CID:"23924","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iridium","IUPAC Name CAS-like Style":"Iridium","IUPAC Name Markup":"Iridium","IUPAC Name Preferred":"Iridium","IUPAC Name Systematic":"Iridium","IUPAC Name Traditional":"Iridium",InChI:"1S/Ir",InChIKey:"GKOZUEZYRPOHIO-UHFFFAOYSA-N","Exact Mass":192.96292,"Molecular Formula":"Ir","Molecular Weight":192.22,"Monoisotopic Mass":192.96292,Charge:0,"Easy Name":"Iridium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"4,428 °C"},"Color And Form":{Value:"Silver-white, face-centered cubic lattice"},Density:{Value:"22.42 at 17 °C"},"Melting Point":{Value:"2,446 °C"},Uses:{Value:'Alloy with platinum for ammonia fuel-cell catalyst, electric contacts and thermocouples, commercial electrodes and resistance wires, laboratory ware, extrusion dies for glass fibers, jewelry. Primary standards of weight and length. /The meter was intended to equal 10-7 or one ten-millionth of the length of the meridian through Paris from pole to the equator. However, the first prototype was short by 0.2 millimeters because researchers miscalculated the flattening of the earth due to its rotation. Still this length became the standard (the platinum-iridium alloy called the "1874 Alloy.") In 1889, a new international prototype was made of an alloy of platinum with 10 percent iridium, to within 0.0001, that was to be measured at the melting point of ice. In 1927, the meter was more precisely defined as the distance, at 0 deg, between the axes of the two central lines marked on the bar of platinum-iridium kept at the BIPM, and declared Prototype of the meter by the 1st CGPM, this bar being subject to standard atmospheric pressure and supported on two cylinders of at least one centimeter diameter, symmetrically placed in the same horizontal plane at a distance of 571 mm from each other. The 1889 definition of the meter, based upon the artifact international prototype of platinum-iridium, was replaced ... in 1960 using a definition based upon a wavelength of krypton-86 radiation. (See http://physics.nist.gov/cuu/Units/meter.html for a discussion of the platinum-iridium bar as the historical standard of length.)'},"Vapor Pressure":{Value:"0.467 Pa at melting point"}},ReducedFormula:"Ir1"},23925:{PUBCHEM:{CID:"23925","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iron","IUPAC Name CAS-like Style":"Iron","IUPAC Name Markup":"Iron","IUPAC Name Preferred":"Iron","IUPAC Name Systematic":"Iron","IUPAC Name Traditional":"Iron",InChI:"1S/Fe",InChIKey:"XEEYBQQBJWHFJM-UHFFFAOYSA-N","Exact Mass":55.934936,"Molecular Formula":"Fe","Molecular Weight":55.84,"Monoisotopic Mass":55.934936,Charge:0,"Easy Name":"Iron","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2,861 °C"},"Color And Form":{Value:"Silvery-white or gray, soft, ductile, malleable metal ... In powder form it is black to gray"},Density:{Value:"7.87 g/cu m"},"Melting Point":{Value:"1,538 °C"},Solubility:{Value:"INSOL IN HOT & COLD WATER, ALKALI, ALC, ETHER; SOL IN ACIDS"},Uses:{Value:"In manufacture of iron and steel castings (pig iron), of alloys with carbon, chromium, and other metals; as a material to increase density of oil well drilling fluids."},"Vapor Pressure":{Value:"1Pa at 1455 °C (solid); 10 Pa at 1617 °C; 100 Pa at 1818 °C; 1 kPa at 2073 °C; 10 kPa at 2406 °C; 100 kPa at 2859 °C"}},ReducedFormula:"Fe1"},23926:{PUBCHEM:{CID:"23926","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lanthanum","IUPAC Name CAS-like Style":"Lanthanum","IUPAC Name Markup":"Lanthanum","IUPAC Name Preferred":"Lanthanum","IUPAC Name Systematic":"Lanthanum","IUPAC Name Traditional":"Lanthanum",InChI:"1S/La",InChIKey:"FZLIPJUXYLNCLC-UHFFFAOYSA-N","Exact Mass":138.90636,"Molecular Formula":"La","Molecular Weight":138.9055,"Monoisotopic Mass":138.90636,Charge:0,"Easy Name":"Lanthanum","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"La1"},23929:{PUBCHEM:{CID:"23929","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lutetium","IUPAC Name CAS-like Style":"Lutetium","IUPAC Name Markup":"Lutetium","IUPAC Name Preferred":"Lutetium","IUPAC Name Systematic":"Lutetium","IUPAC Name Traditional":"Lutetium",InChI:"1S/Lu",InChIKey:"OHSVLFRHMCKCQY-UHFFFAOYSA-N","Exact Mass":174.94078,"Molecular Formula":"Lu","Molecular Weight":174.967,"Monoisotopic Mass":174.94078,Charge:0,"Easy Name":"Lutetium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Lu1"},23930:{PUBCHEM:{CID:"23930","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Manganese","IUPAC Name CAS-like Style":"Manganese","IUPAC Name Markup":"Manganese","IUPAC Name Preferred":"Manganese","IUPAC Name Systematic":"Manganese","IUPAC Name Traditional":"Manganese",InChI:"1S/Mn",InChIKey:"PWHULOQIROXLJO-UHFFFAOYSA-N","Exact Mass":54.938043,"Molecular Formula":"Mn","Molecular Weight":54.93804,"Monoisotopic Mass":54.938043,Charge:0,"Easy Name":"Manganese","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2061 °C"},"Color And Form":{Value:"Hard grey metal"},Density:{Value:"7.3 g/cu cm"},"Heat Of Vaporization":{Value:"Latent heat of vaporization at boiling point: 4020 J/g"},"Melting Point":{Value:"1246 °C"},Solubility:{Value:"Readily dissolves in dilute mineral acids"},Uses:{Value:"Most of the manganese produced is used in the iron and steel industry in steel alloys, e.g., ferromanganese, silicomanganese, Manganin, spiegeleisen, and as an agent to reduce oxygen and sulfur content of molten steel. ..."},"Vapor Pressure":{Value:"1 Pa at 955 °C (solid); 10 Pa at 1074 °C (solid); 100 Pa at 1220 °C (solid); 1 kPa at 1418 °C /liquid/; 10 kPa at 1682 °C /liquid/; 100 kPa at 2060 °C /liquid/"}},ReducedFormula:"Mn1"},23931:{PUBCHEM:{CID:"23931","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Mercury","IUPAC Name CAS-like Style":"Mercury","IUPAC Name Markup":"Mercury","IUPAC Name Preferred":"Mercury","IUPAC Name Systematic":"Mercury","IUPAC Name Traditional":"Mercury",InChI:"1S/Hg",InChIKey:"QSHDDOUJBYECFT-UHFFFAOYSA-N","Exact Mass":201.970644,"Molecular Formula":"Hg","Molecular Weight":200.59,"Monoisotopic Mass":201.970644,Charge:0,"Easy Name":"Mercury","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"356.73 °C"},"Color And Form":{Value:"Silver-white, heavy, mobile, liquid metal; solid mercury is tin-white"},"Critical Temperature And Pressure":{Value:"1462 °C and 1587 atm"},Density:{Value:"13.534 @ 25 °C"},"Heat Of Vaporization":{Value:"14.652 kcal/mole @ 25 °C"},"Melting Point":{Value:"-38.87 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.6 to 1.9 @ 20 °C"},Solubility:{Value:"0.28 umoles/l of water at 25 °C"},Uses:{Value:"For Elemental Mercury (USEPA/OPP PC Code: 052301) there are 0 labels match. /SRP: Not registered for current use in the U.S./"},"Vapor Pressure":{Value:"2X10-3 mm Hg @ 25 °C"},Viscosity:{Value:"1.55 mPa.sec (15.5 millipoise) at 20 °C"}},ReducedFormula:"Hg1"},23932:{PUBCHEM:{CID:"23932","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Molybdenum","IUPAC Name CAS-like Style":"Molybdenum","IUPAC Name Markup":"Molybdenum","IUPAC Name Preferred":"Molybdenum","IUPAC Name Systematic":"Molybdenum","IUPAC Name Traditional":"Molybdenum",InChI:"1S/Mo",InChIKey:"ZOKXTWBITQBERF-UHFFFAOYSA-N","Exact Mass":97.905404,"Molecular Formula":"Mo","Molecular Weight":96,"Monoisotopic Mass":97.905404,Charge:0,"Easy Name":"Molybdenum","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"4639 °C"},"Color And Form":{Value:"Dark-gray or black powder with metallic luster or coherent mass of silver white color; body centered cubic structure"},Density:{Value:"10.2 g/cu cm"},"Heat Of Vaporization":{Value:"491 kJ/mol"},"Melting Point":{Value:"2622 °C"},Solubility:{Value:"Practically insoluble in alkali hydroxides or fused alkalis; reacts with nitric acid, hot concentrated sulfuric acid, fused potassium chlorate or nitrate"},Uses:{Value:"Molybdenum is mainly used as an alloying element in steel, cast iron, and superalloys (->Steel) to increase hardenability, strength, toughness, and corrosion resistance."},"Vapor Pressure":{Value:"1 Pa at 2469 °C (solid); 10 Pa at 2721 °C; 100 Pa at 3039 °C; 1 kPa at 3434 °C; 10 kPa at 3939 °C; 100 kPa at 4606 °C"}},ReducedFormula:"Mo1"},23933:{PUBCHEM:{CID:"23933","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Neptunium","IUPAC Name CAS-like Style":"Neptunium","IUPAC Name Markup":"Neptunium","IUPAC Name Preferred":"Neptunium","IUPAC Name Systematic":"Neptunium","IUPAC Name Traditional":"Neptunium",InChI:"1S/Np",InChIKey:"LFNLGNPSGWYGGD-UHFFFAOYSA-N","Exact Mass":237.04817,"Molecular Formula":"Np","Molecular Weight":237.04817,"Monoisotopic Mass":237.04817,Charge:0,"Easy Name":"Neptunium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Np1"},23934:{PUBCHEM:{CID:"23934","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Neodymium","IUPAC Name CAS-like Style":"Neodymium","IUPAC Name Markup":"Neodymium","IUPAC Name Preferred":"Neodymium","IUPAC Name Systematic":"Neodymium","IUPAC Name Traditional":"Neodymium",InChI:"1S/Nd",InChIKey:"QEFYFXOXNSNQGX-UHFFFAOYSA-N","Exact Mass":141.90773,"Molecular Formula":"Nd","Molecular Weight":144.24,"Monoisotopic Mass":141.90773,Charge:0,"Easy Name":"Neodymium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Nd1"},23935:{PUBCHEM:{CID:"23935","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Neon","IUPAC Name CAS-like Style":"Neon","IUPAC Name Markup":"Neon","IUPAC Name Preferred":"Neon","IUPAC Name Systematic":"Neon","IUPAC Name Traditional":"Neon",InChI:"1S/Ne",InChIKey:"GKAOGPIIYCISHV-UHFFFAOYSA-N","Exact Mass":19.99244018,"Molecular Formula":"Ne","Molecular Weight":20.18,"Monoisotopic Mass":19.99244018,Charge:0,"Easy Name":"Neon","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"-246.053 °C"},"Color And Form":{Value:"Colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 44.40 K; critical pressure: 2654 kPa; critical density: 483 kg/cu m"},Density:{Value:"0.825 g/L"},"Melting Point":{Value:"-248.609 °C triple point (43 kPa)"},Odor:{Value:"Odorless"},Solubility:{Value:"Solubility of gas in water (20 °C): 10.5 cu cm/kg water"},Taste:{Value:"Tasteless"},"Vapor Density":{Value:"0.6964 (Air = 1)"}},ReducedFormula:"Ne1"},23936:{PUBCHEM:{CID:"23936","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Niobium","IUPAC Name CAS-like Style":"Niobium","IUPAC Name Markup":"Niobium","IUPAC Name Preferred":"Niobium","IUPAC Name Systematic":"Niobium","IUPAC Name Traditional":"Niobium",InChI:"1S/Nb",InChIKey:"GUCVJGMIXFAOAE-UHFFFAOYSA-N","Exact Mass":92.90637,"Molecular Formula":"Nb","Molecular Weight":92.9064,"Monoisotopic Mass":92.90637,Charge:0,"Easy Name":"Niobium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Nb1"},23937:{PUBCHEM:{CID:"23937","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Osmium","IUPAC Name CAS-like Style":"Osmium","IUPAC Name Markup":"Osmium","IUPAC Name Preferred":"Osmium","IUPAC Name Systematic":"Osmium","IUPAC Name Traditional":"Osmium",InChI:"1S/Os",InChIKey:"SYQBFIAQOQZEGI-UHFFFAOYSA-N","Exact Mass":191.96148,"Molecular Formula":"Os","Molecular Weight":190.2,"Monoisotopic Mass":191.96148,Charge:0,"Easy Name":"Osmium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"5012 °C"},"Color And Form":{Value:"Blue-white metal"},Density:{Value:"22.59 g/cu cm"},"Melting Point":{Value:"3033 °C"},Solubility:{Value:"Insoluble in acids and aqua regia; attacked by fused alkalis"},Uses:{Value:"The major uses of osmium are as a catalyst for steroid synthesis and ammonia formation and as a fixing and staining agent for electron microscopy."},"Vapor Pressure":{Value:"1.8 Pa (mm Hg) at 3050 °C"}},ReducedFormula:"Os1"},23938:{PUBCHEM:{CID:"23938","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Palladium","IUPAC Name CAS-like Style":"Palladium","IUPAC Name Markup":"Palladium","IUPAC Name Preferred":"Palladium","IUPAC Name Systematic":"Palladium","IUPAC Name Traditional":"Palladium",InChI:"1S/Pd",InChIKey:"KDLHZDBZIXYQEI-UHFFFAOYSA-N","Exact Mass":105.90348,"Molecular Formula":"Pd","Molecular Weight":106.4,"Monoisotopic Mass":105.90348,Charge:0,"Easy Name":"Palladium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2963 °C"},"Color And Form":{Value:"Silver-white, ductile metal"},Density:{Value:"12.02 g/cu cm"},"Melting Point":{Value:"1554.9 °C"},Solubility:{Value:"Soluble in aqua regia and fused alkalies; insoluble in organic acids"},Uses:{Value:"Palladium is used in gold, silver and copper alloys in dentistry. Alloys are also used for bearings, strings, and balance wheels in watches. Palladium is used as a catalyst in the manufacture of sulfuric acid. In powder form it is used as a catalyst in hydrogenation. The sponge form is used for separation of hydrogen from a mixture of gases. Silver alloys are used for electrical contacts."},"Vapor Pressure":{Value:"3.47 Pa (0.0260 mm Hg) at 1552 °C"}},ReducedFormula:"Pd1"},23939:{PUBCHEM:{CID:"23939","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Platinum","IUPAC Name CAS-like Style":"Platinum","IUPAC Name Markup":"Platinum","IUPAC Name Preferred":"Platinum","IUPAC Name Systematic":"Platinum","IUPAC Name Traditional":"Platinum",InChI:"1S/Pt",InChIKey:"BASFCYQUMIYNBI-UHFFFAOYSA-N","Exact Mass":194.964794,"Molecular Formula":"Pt","Molecular Weight":195.08,"Monoisotopic Mass":194.964794,Charge:0,"Easy Name":"Platinum","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"3825 °C"},"Color And Form":{Value:"Silver-gray, lustrous, malleable and ductile metal; face-centered cubic structure. Also prepd in the form of a black powder (platinum black) and as spongy masses (platinum sponge)."},Density:{Value:"21.447 (calc)"},"Melting Point":{Value:"1768.4 °C"},Solubility:{Value:"Soluble in aqua regia. Insoluble in mineral and organic acids."},Uses:{Value:"Manufacturing apparatus for laboratory & industrial use, thermocouples, platinum resistance thermometers, acid proof containers, electrodes, etc. In dentistry; jewelry; electroplating. As oxidation catalyst in manuf acetic acid, nitric acid from ammonia, manuf sulfuric acid; control of automotive emissions."},"Vapor Pressure":{Value:"0.0187 Pa @ melting point"}},ReducedFormula:"Pt1"},23940:{PUBCHEM:{CID:"23940","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Plutonium","IUPAC Name CAS-like Style":"Plutonium","IUPAC Name Markup":"Plutonium","IUPAC Name Preferred":"Plutonium","IUPAC Name Systematic":"Plutonium","IUPAC Name Traditional":"Plutonium",InChI:"1S/Pu",InChIKey:"OYEHPCDNVJXUIW-UHFFFAOYSA-N","Exact Mass":244.0642,"Molecular Formula":"Pu","Molecular Weight":244.0642,"Monoisotopic Mass":244.0642,Charge:0,"Easy Name":"Plutonium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"3228 °C /Plutonium metal/"},"Color And Form":{Value:"Silver, white metal, monoclinic /Plutonium metal/"},Density:{Value:"19.7 g/cu cm /Plutonium metal/"},"Heat Of Vaporization":{Value:"345.2 kJ/mol at 298 deg K (range 1200-1790 deg K) /Plutonium metal/"},"Melting Point":{Value:"640 °C /Plutonium metal/"},Solubility:{Value:"Soluble in hydrochloric acid; insol in nitric acid and concentrated hydrogen sulfide /Plutonium metal/"},Uses:{Value:"Uses of Plutonium Isotopes: Plutonium-236, plutonium-237. Popular environmental and biological chemical tracers. Both available in microcurie quantities. Plutonium-238. Small thermal and electric-power generators. Available in various isotopic enrichments, ranging from 78% to 99+%. Plutonium-239. Nuclear weapons and as a fast reactor fuel. Also, frequently used in chemical research where production-grade material of mixed isotopic content is suitable. Available enrichments range from 97% to 99.99+%. Plutonium-240. Principally in flux monitors for fast reactors. Available enrichments range from 93% to 99+%. Plutonium-241. The parent from which high-assay americium-241 can be isolated for industrial purposes. Samples available in enrichments of 93%. Plutonium-242. For study of the physical properties of plutonium; also as a mass spectroscopy tracer and standard. Samples available in enrichments ranging from 95% to 99.9+%; enrichments of production-grade material range from 85% to 95%. Plutonium-244. Currently, the only isotope available as a National Institute of Standards and Technology (NIST) Standard Reference Material (SRM). /From table/ /Plutonium isotopes/"}},ReducedFormula:"Pu1"},23942:{PUBCHEM:{CID:"23942","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Praseodymium","IUPAC Name CAS-like Style":"Praseodymium","IUPAC Name Markup":"Praseodymium","IUPAC Name Preferred":"Praseodymium","IUPAC Name Systematic":"Praseodymium","IUPAC Name Traditional":"Praseodymium",InChI:"1S/Pr",InChIKey:"PUDIUYLPXJFUGB-UHFFFAOYSA-N","Exact Mass":140.90766,"Molecular Formula":"Pr","Molecular Weight":140.9077,"Monoisotopic Mass":140.90766,Charge:0,"Easy Name":"Praseodymium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Pr1"},23943:{PUBCHEM:{CID:"23943","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Mendelevium","IUPAC Name CAS-like Style":"Mendelevium","IUPAC Name Markup":"Mendelevium","IUPAC Name Preferred":"Mendelevium","IUPAC Name Systematic":"Mendelevium","IUPAC Name Traditional":"Mendelevium",InChI:"1S/Md",InChIKey:"MQVSLOYRCXQRPM-UHFFFAOYSA-N","Exact Mass":258.09843,"Molecular Formula":"Md","Molecular Weight":258.09843,"Monoisotopic Mass":258.09843,Charge:0,"Easy Name":"Mendelevium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Md1"},23944:{PUBCHEM:{CID:"23944","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Promethium","IUPAC Name CAS-like Style":"Promethium","IUPAC Name Markup":"Promethium","IUPAC Name Preferred":"Promethium","IUPAC Name Systematic":"Promethium","IUPAC Name Traditional":"Promethium",InChI:"1S/Pm",InChIKey:"VQMWBBYLQSCNPO-UHFFFAOYSA-N","Exact Mass":144.91276,"Molecular Formula":"Pm","Molecular Weight":144.91276,"Monoisotopic Mass":144.91276,Charge:0,"Easy Name":"Promethium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Pm1"},23945:{PUBCHEM:{CID:"23945","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Protactinium","IUPAC Name CAS-like Style":"Protactinium","IUPAC Name Markup":"Protactinium","IUPAC Name Preferred":"Protactinium","IUPAC Name Systematic":"Protactinium","IUPAC Name Traditional":"Protactinium",InChI:"1S/Pa",InChIKey:"XLROVYAPLOFLNU-UHFFFAOYSA-N","Exact Mass":231.03588,"Molecular Formula":"Pa","Molecular Weight":231.0359,"Monoisotopic Mass":231.03588,Charge:0,"Easy Name":"Protactinium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Pa1"},23947:{PUBCHEM:{CID:"23947","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rhenium","IUPAC Name CAS-like Style":"Rhenium","IUPAC Name Markup":"Rhenium","IUPAC Name Preferred":"Rhenium","IUPAC Name Systematic":"Rhenium","IUPAC Name Traditional":"Rhenium",InChI:"1S/Re",InChIKey:"WUAPFZMCVAUBPE-UHFFFAOYSA-N","Exact Mass":186.955752,"Molecular Formula":"Re","Molecular Weight":186.21,"Monoisotopic Mass":186.955752,Charge:0,"Easy Name":"Rhenium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Re1"},23948:{PUBCHEM:{CID:"23948","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rhodium","IUPAC Name CAS-like Style":"Rhodium","IUPAC Name Markup":"Rhodium","IUPAC Name Preferred":"Rhodium","IUPAC Name Systematic":"Rhodium","IUPAC Name Traditional":"Rhodium",InChI:"1S/Rh",InChIKey:"MHOVAHRLVXNVSD-UHFFFAOYSA-N","Exact Mass":102.90549,"Molecular Formula":"Rh","Molecular Weight":102.9055,"Monoisotopic Mass":102.90549,Charge:0,"Easy Name":"Rhodium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"3695 °C"},"Color And Form":{Value:"Silvery-white, soft, ductile, malleable metal; face-centered cubic structure"},Density:{Value:"12.41 g/cu cm @ 20 °C"},"Melting Point":{Value:"1964 °C"},Solubility:{Value:"Insoluble in acids and aqua regia; soluble in fused potassium bisulfate."},Uses:{Value:"As a corrosion-resistant electroplate for protecting silverware from tarnishing; for making high-reflectivity mirrors for cinema projectors, searchlights. Spongy or black rhodium is used as a catalyst in various organic hydrogenation and oxidation reactions."},"Vapor Pressure":{Value:"1 Pa @ 2015 °C; 10 Pa @ 2223 °C; 100 Pa @ 2476 °C; 1 kPa @ 2790 °C; 10 kPa @ 3132 °C; 100 kPa @ 3724 °C"}},ReducedFormula:"Rh1"},23951:{PUBCHEM:{CID:"23951","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Samarium","IUPAC Name CAS-like Style":"Samarium","IUPAC Name Markup":"Samarium","IUPAC Name Preferred":"Samarium","IUPAC Name Systematic":"Samarium","IUPAC Name Traditional":"Samarium",InChI:"1S/Sm",InChIKey:"KZUNJOHGWZRPMI-UHFFFAOYSA-N","Exact Mass":151.91974,"Molecular Formula":"Sm","Molecular Weight":150.4,"Monoisotopic Mass":151.91974,Charge:0,"Easy Name":"Samarium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1794 °C"},"Color And Form":{Value:"Silvery metal; rhombohedral"},Density:{Value:"7.52 g cu cm at 25 °C"},"Melting Point":{Value:"1072 °C"},pH:{Value:"Lanthanides /such as samarium/ are thermodynamically defined as hard Lewis acids (weak electron acceptors)"},Uses:{Value:"Neutron absorber, dopant for laser crystals, metallurgical research, permanent magnets."},"Vapor Pressure":{Value:"1.3X10-5 bar at 722 mm Hg; 1.3X10-3 bar at 964 mm Hg"}},ReducedFormula:"Sm1"},23952:{PUBCHEM:{CID:"23952","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Scandium","IUPAC Name CAS-like Style":"Scandium","IUPAC Name Markup":"Scandium","IUPAC Name Preferred":"Scandium","IUPAC Name Systematic":"Scandium","IUPAC Name Traditional":"Scandium",InChI:"1S/Sc",InChIKey:"SIXSYDAISGFNSX-UHFFFAOYSA-N","Exact Mass":44.955908,"Molecular Formula":"Sc","Molecular Weight":44.95591,"Monoisotopic Mass":44.955908,Charge:0,"Easy Name":"Scandium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Sc1"},23953:{PUBCHEM:{CID:"23953","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silane","IUPAC Name CAS-like Style":"Silane","IUPAC Name Markup":"Silane","IUPAC Name Preferred":"Silane","IUPAC Name Systematic":"Silane","IUPAC Name Traditional":"Silane",InChI:"1S/H4Si/h1H4",InChIKey:"BLRPTPMANUNPDV-UHFFFAOYSA-N","Exact Mass":32.008226664,"Molecular Formula":"H4Si","Molecular Weight":32.117,"Monoisotopic Mass":32.008226664,Charge:0,"Easy Name":"Silane","Easy Category":"Silanes"},HSDB:{"Boiling Point":{Value:"-112 °C"},"Color And Form":{Value:"Colorless gas"},Density:{Value:"0.68 at -185 °C (liquid)"},"Melting Point":{Value:"-185 °C"},"NFPA Hazard Classification":{Value:"1-4-3"},Odor:{Value:"Repulsive odor"},Solubility:{Value:"Slowly decomp in water; practically insol in alc, ether, benzene, chloroform, silicochloroform and silicon tetrachloride; decomp in potassium hydoxide solns."},Uses:{Value:"Source of hyperpure silicon for semiconductors."}},ReducedFormula:"H4Si1"},23954:{PUBCHEM:{CID:"23954","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver","IUPAC Name CAS-like Style":"Silver","IUPAC Name Markup":"Silver","IUPAC Name Preferred":"Silver","IUPAC Name Systematic":"Silver","IUPAC Name Traditional":"Silver",InChI:"1S/Ag",InChIKey:"BQCADISMDOOEFD-UHFFFAOYSA-N","Exact Mass":106.90509,"Molecular Formula":"Ag","Molecular Weight":107.868,"Monoisotopic Mass":106.90509,Charge:0,"Easy Name":"Silver","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"Approx 2000 °C"},"Color And Form":{Value:"White metal, face-centered cubic structure"},Density:{Value:"10.49 @ 15 °C"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of silver stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to silver (as a finely divided metal, or in solution) may occur from its use in electroplating, as a component of photographic materials, in the manufacture of jewelry, mirrors, coinage, pigments, antiseptics, and in brazing and welding. Effects from exposure may include skin or eye irritation, mild bronchitis, metal fume fever, and argyria, a blue-gray discoloration of the skin, mucous membranes, and eyes. Also, hepatic damage has been implicated with soluble silver salts. The OSHA PEL is set at a TWA of 0.01 mg/cu m. Safe levels should be maintained by the use of engineering controls (eg, local exhaust ventilation, or process enclosure). In activities where over-exposure to silver may occur, workers should wear impervious clothing, gloves, face protection, and a self-contained breathing apparatus. Such clothing and equipment should be removed before leaving the worksite. Skin that becomes contaminated with silver should be promptly washed. Eating and smoking should be prohibited in silver work areas. Finely divided silver dust is flammable. Also, explosive compounds may form when silver mixes with acetylene, ammonia, or hydrogen peroxide. Before shipping silver, consult with the regulatory requirements of the US Department of Transportation. If powdered silver or solutions of silver are spilled, first ventilate the area, then collect the spilled material (solutions are first absorbed in vermiculite, dry sand, or earth) and place in sealed containers for reclamation. Before implementing land disposal of silver waste, consult with environmental regulatory agencies for guidance."},"Melting Point":{Value:"960.5 °C"},Solubility:{Value:"Sol in fused alkali hydroxides in presence of air, fused peroxides, and alkali cyanides in presence of oxygen"},Uses:{Value:"For Silver (USEPA/OPP Pesticide Code: 072501) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Ag1"},23956:{PUBCHEM:{CID:"23956","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tantalum","IUPAC Name CAS-like Style":"Tantalum","IUPAC Name Markup":"Tantalum","IUPAC Name Preferred":"Tantalum","IUPAC Name Systematic":"Tantalum","IUPAC Name Traditional":"Tantalum",InChI:"1S/Ta",InChIKey:"GUVRBAGPIYLISA-UHFFFAOYSA-N","Exact Mass":180.948,"Molecular Formula":"Ta","Molecular Weight":180.9479,"Monoisotopic Mass":180.948,Charge:0,"Easy Name":"Tantalum","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"5429 °C"},"Color And Form":{Value:"Silvery gray metal, body-centered cubic crystal structure"},Density:{Value:"14.491 g/cu cm (powder); 16.6 g/cu cm (worked metal)"},"Heat Of Vaporization":{Value:"7.53X10+5 J/mol"},"Melting Point":{Value:"2996 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 2.05"},Solubility:{Value:"Soluble in fused alkalies; insoluble in acids except hydrofluoric and fuming sulfuric acids"},Uses:{Value:"IN RECTIFIERS, ESP FOR RAILWAY SIGNALS; IN ELECTROLYSIS CAPACITORS; IN MFR OF RADIO & POWER TUBES"},"Vapor Pressure":{Value:"1 kPa @ 3024 °C; 10 Pa @ 3324 °C; 100 Pa @ 3684 °C; 1 kPa @ 4122 °C; 10 k Pa @ 4666 °C; 100 kPa @ 5361 °C"}},ReducedFormula:"Ta1"},23957:{PUBCHEM:{CID:"23957","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Technetium","IUPAC Name CAS-like Style":"Technetium","IUPAC Name Markup":"Technetium","IUPAC Name Preferred":"Technetium","IUPAC Name Systematic":"Technetium","IUPAC Name Traditional":"Technetium",InChI:"1S/Tc",InChIKey:"GKLVYJBZJHMRIY-UHFFFAOYSA-N","Exact Mass":97.90721,"Molecular Formula":"Tc","Molecular Weight":97.90721,"Monoisotopic Mass":97.90721,Charge:0,"Easy Name":"Technetium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"4265 °C"},"Color And Form":{Value:"Close-packed hexagonal structure; isomorphous with rhodium, ruthenium, and osmium"},Density:{Value:"11 g/cu cm"},"Melting Point":{Value:"2157 °C"},Solubility:{Value:"Dissolves in nitric acid, aqua regia, and concentrated sulfuric acid; not soluble in hydrochloric acid of any strength"},Uses:{Value:"Technetium and its alloys are superconductors and can be used to create high-strength magnetic fields at low temperature. ..."},"Vapor Pressure":{Value:"1 Pa at 2454 °C; 10 Pa at 2725 °C; 100 Pa at 3051 °C; 1 kPa at 3453 °C; 10 kPa at 3961 °C; 100 kPa at 4621 °C (all values are extrapolated)"}},ReducedFormula:"Tc1"},23960:{PUBCHEM:{CID:"23960","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thorium","IUPAC Name CAS-like Style":"Thorium","IUPAC Name Markup":"Thorium","IUPAC Name Preferred":"Thorium","IUPAC Name Systematic":"Thorium","IUPAC Name Traditional":"Thorium",InChI:"1S/Th",InChIKey:"ZSLUVFAKFWKJRC-UHFFFAOYSA-N","Exact Mass":232.03805,"Molecular Formula":"Th","Molecular Weight":232.038,"Monoisotopic Mass":232.03805,Charge:0,"Easy Name":"Thorium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"4788 °C"},"Color And Form":{Value:"Soft gray-white metal; cubic"},Density:{Value:"11.7 g/cu cm"},"Heat Of Vaporization":{Value:"approx. 586 kJ/mol"},"Melting Point":{Value:"1750 °C"},Solubility:{Value:"Insoluble in water; soluble in hydrochloric acid, sulfuric acid, aqua regia; slightly soluble in nitric acid"},Uses:{Value:"Because the thorium atom density is higher in thorium metal than in any thorium compound, metal is the preferred form of thorium where the highest nuclear reactivity or highest density is wanted."},"Vapor Pressure":{Value:"1 Pa at 2360 °C; 10 Pa at 2634 °C; 100 Pa at 2975 °C; 1 kPa at 3410 °C; 10 kPa at 3986 °C; 100 kPa at 4782 °C"}},ReducedFormula:"Th1"},23961:{PUBCHEM:{CID:"23961","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thulium","IUPAC Name CAS-like Style":"Thulium","IUPAC Name Markup":"Thulium","IUPAC Name Preferred":"Thulium","IUPAC Name Systematic":"Thulium","IUPAC Name Traditional":"Thulium",InChI:"1S/Tm",InChIKey:"FRNOGLGSGLTDKL-UHFFFAOYSA-N","Exact Mass":168.934218,"Molecular Formula":"Tm","Molecular Weight":168.93422,"Monoisotopic Mass":168.934218,Charge:0,"Easy Name":"Thulium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Tm1"},23963:{PUBCHEM:{CID:"23963","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Titanium","IUPAC Name CAS-like Style":"Titanium","IUPAC Name Markup":"Titanium","IUPAC Name Preferred":"Titanium","IUPAC Name Systematic":"Titanium","IUPAC Name Traditional":"Titanium",InChI:"1S/Ti",InChIKey:"RTAQQCXQSZGOHL-UHFFFAOYSA-N","Exact Mass":47.947941,"Molecular Formula":"Ti","Molecular Weight":47.87,"Monoisotopic Mass":47.947941,Charge:0,"Easy Name":"Titanium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"3287 °C"},"Color And Form":{Value:"Dark gray lustrous metal, hexagonal below 882.5 °C, cubic above"},Density:{Value:"4.506 @ 20 °C"},"Heat Of Vaporization":{Value:"9.83X10+6 J/kg"},"Melting Point":{Value:"1668 °C"},Solubility:{Value:"INSOL IN WATER; SOL IN DILUTE ACIDS"},Uses:{Value:"AS PROTECTIVE SURFACE ON MIXERS IN PULP-PAPER INDUSTRY; IN AIRCRAFT & MISSILES; IN ATOMIC REACTORS AS CASING FOR CONTROL WIRES"},"Vapor Pressure":{Value:"1.0X10-79 atm @ 25 °C"}},ReducedFormula:"Ti1"},23964:{PUBCHEM:{CID:"23964","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tungsten","IUPAC Name CAS-like Style":"Tungsten","IUPAC Name Markup":"Tungsten","IUPAC Name Preferred":"Tungsten","IUPAC Name Systematic":"Tungsten","IUPAC Name Traditional":"Tungsten",InChI:"1S/W",InChIKey:"WFKWXMTUELFFGS-UHFFFAOYSA-N","Exact Mass":183.950933,"Molecular Formula":"W","Molecular Weight":183.8,"Monoisotopic Mass":183.950933,Charge:0,"Easy Name":"Tungsten","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"5900 °C @ 760 mm Hg"},"Color And Form":{Value:"Steel-gray to tin-white metal; body centered cubic structure"},Density:{Value:"18.7-19.3 @ 20 °C/4 °C; depends on extent of working."},"Heat Of Vaporization":{Value:"1150 cal/g"},"Melting Point":{Value:"3410 °C"},Solubility:{Value:"Sol in mixture of nitric acid and hydrofluoric acid"},Uses:{Value:"Incr hardness, toughness, elasticity and tensile strength of steel; mfr alloys, filaments for incandescent lamps and in electron tubes; in contact points for automotive, telegraph, radio and television apparatus; phonograph needles"},"Vapor Pressure":{Value:"1.97X10-7 mm Hg @ 2,327 °C"}},ReducedFormula:"W1"},23965:{PUBCHEM:{CID:"23965","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Actinium","IUPAC Name CAS-like Style":"Actinium","IUPAC Name Markup":"Actinium","IUPAC Name Preferred":"Actinium","IUPAC Name Systematic":"Actinium","IUPAC Name Traditional":"Actinium",InChI:"1S/Ac",InChIKey:"QQINRWTZWGJFDB-UHFFFAOYSA-N","Exact Mass":227.02775,"Molecular Formula":"Ac","Molecular Weight":227.02775,"Monoisotopic Mass":227.02775,Charge:0,"Easy Name":"Actinium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"Approx. 3300 °C /Actinium metal/"},"Color And Form":{Value:"Cubic crystal /Actinium metal/"},Density:{Value:"10.07 g/cu cm at 25 °C /Actinium metal/"},"Melting Point":{Value:"1051 °C /Actinium metal/"},Solubility:{Value:"Forms insol salts, e.g. carbonate, oxalate, phosphate /Actinium/"},Uses:{Value:"Actinium-225 is a key intermediate in the production of bismuth-213 for medical therapy. /Actinium-225/"}},ReducedFormula:"Ac1"},23966:{PUBCHEM:{CID:"23966","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Americium","IUPAC Name CAS-like Style":"Americium","IUPAC Name Markup":"Americium","IUPAC Name Preferred":"Americium","IUPAC Name Systematic":"Americium","IUPAC Name Traditional":"Americium",InChI:"1S/Am",InChIKey:"LXQXZNRPTYVCNG-UHFFFAOYSA-N","Exact Mass":243.06138,"Molecular Formula":"Am","Molecular Weight":243.06138,"Monoisotopic Mass":243.06138,Charge:0,"Easy Name":"Americium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2,067 °C /Americium metal/"},"Color And Form":{Value:"Silvery metal /Zero valence americium/"},Density:{Value:"13.671/Americium metal/"},"Melting Point":{Value:"1,173 °C /Americium metal/"},Solubility:{Value:"Dissolves readily in aq HCl; insoluble in liquid ammonia. /Americium metal/"},Uses:{Value:"Soft gamma emission from americium-241 is used to measure the thickness of metal sheets and metal coatings, the degree of soil compaction, sediment concentration in streams, and to induce X-ray fluorescence in chemical analysis. As an alpha emitter, it is mixed with beryllium to produce a neutron source for oil-well logging and to measure water content in soils and industrial process streams. The alpha source is also used to eliminate static electricity and as an ionization source in smoke detectors. /Americium-241/"}},ReducedFormula:"Am1"},23968:{PUBCHEM:{CID:"23968","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Argon","IUPAC Name CAS-like Style":"Argon","IUPAC Name Markup":"Argon","IUPAC Name Preferred":"Argon","IUPAC Name Systematic":"Argon","IUPAC Name Traditional":"Argon",InChI:"1S/Ar",InChIKey:"XKRFYHLGVUSROY-UHFFFAOYSA-N","Exact Mass":39.96238312,"Molecular Formula":"Ar","Molecular Weight":39.9,"Monoisotopic Mass":39.96238312,Charge:0,"Easy Name":"Argon","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"-185.847 °C"},"Color And Form":{Value:"Colorless monatomic gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 150.86 K; critical pressure: 4898 kPa"},Density:{Value:"1.633 g/L"},"Heat Of Vaporization":{Value:"Liquid (normal BP): 6469 J/mol; Solid: (triple pt): 7.785 kJ/mol."},"Melting Point":{Value:"-186.36 °C triple point (69 kPa)"},Odor:{Value:"Odorless"},Solubility:{Value:"Soluble in organic liquids"},Taste:{Value:"Tasteless"},"Vapor Density":{Value:"1.38 (Air = 1)"}},ReducedFormula:"Ar1"},23969:{PUBCHEM:{CID:"23969","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Arsane","IUPAC Name CAS-like Style":"Arsine","IUPAC Name Markup":"Arsane","IUPAC Name Preferred":"Arsane","IUPAC Name Systematic":"Arsane","IUPAC Name Traditional":"Arsine",InChI:"1S/AsH3/h1H3",InChIKey:"RBFQJDQYXXHULB-UHFFFAOYSA-N","Exact Mass":77.94507,"Molecular Formula":"AsH3","Molecular Weight":77.946,"Monoisotopic Mass":77.94507,Charge:0,"Easy Name":"Arsine","Easy Category":"Hydride"},HSDB:{"Boiling Point":{Value:"-62.5 °C"},"Color And Form":{Value:"Colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 373.1 K"},Density:{Value:"3.186 g/L (gas)"},"Heat Of Vaporization":{Value:"16.69 kJ/mol"},"Melting Point":{Value:"-116 °C"},Odor:{Value:"Disagreeable garlic odor"},pH:{Value:"Aqueous solutions are neutral"},Solubility:{Value:"In water, 28 mg/100 mL at 20 °C"},Uses:{Value:"Arsine is used in organic synthesis and in the electronics industry for the manufacture of semiconductors as a dopant applied to ultrapure crystals to increase electrical conductivity."},"Vapor Density":{Value:"2.66 (Air = 1)"},"Vapor Pressure":{Value:"11,000 mm Hg at 20 °C"},Viscosity:{Value:"Viscosity of the gas at 101.325 kPa at 0 °C: 0.01458 mPaXs, 0.01458 mNXs/sq m"}},ReducedFormula:"As1H3"},23971:{PUBCHEM:{CID:"23971","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Berkelium","IUPAC Name CAS-like Style":"Berkelium","IUPAC Name Markup":"Berkelium","IUPAC Name Preferred":"Berkelium","IUPAC Name Systematic":"Berkelium","IUPAC Name Traditional":"Berkelium",InChI:"1S/Bk",InChIKey:"PWVKJRSRVJTHTR-UHFFFAOYSA-N","Exact Mass":247.07031,"Molecular Formula":"Bk","Molecular Weight":247.07031,"Monoisotopic Mass":247.07031,Charge:0,"Easy Name":"Berkelium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Bk1"},23973:{PUBCHEM:{CID:"23973","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cadmium","IUPAC Name CAS-like Style":"Cadmium","IUPAC Name Markup":"Cadmium","IUPAC Name Preferred":"Cadmium","IUPAC Name Systematic":"Cadmium","IUPAC Name Traditional":"Cadmium",InChI:"1S/Cd",InChIKey:"BDOSMKKIYDKNTQ-UHFFFAOYSA-N","Exact Mass":113.903365,"Molecular Formula":"Cd","Molecular Weight":112.41,"Monoisotopic Mass":113.903365,Charge:0,"Easy Name":"Cadmium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"767 °C"},"Color And Form":{Value:"Silvery-white metal"},Density:{Value:"8.69 g/cu cm at 25 °C"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of cadmium stem from its toxicologic properties. Toxic primarily by inhalation and ingestion, exposure to cadmium (salts, dust, or fumes) may occur from the smelting and refining of ore, and from its use in metal plating and coating, production of batteries, synthesis and use of cadmium-containing pigments, soldering, and in plastics, ceramic glazes, alloys, and amalgams. Effects from exposure may include headache, nausea, shortness of breath, chest pain, weakness, fever, kidney damage, liver damage, chronic bronchitis, emphysema, and pulmonary edema (possibly resulting in death). NIOSH has recommended that cadmium (dust and fumes) be treated as a potential human carcinogen. The OSHA PEL for cadmium fume is 0.1 mg/cu m, and for cadmium dust is 0.2 mg Cd/cu m. Neither odor, nor irritation potential serves as an adequate warning of over-exposure. Processes and operations which may release cadmium fumes or dust should be enclosed and fitted with exhaust ventilation if practicable. Workers should wear a high efficiency particulate filter respirator or self-contained breathing apparatus in activities where over-exposure is possible. Protective clothing and gloves also should be worn, and these should be removed before leaving work. If contact should occur, immediately wash contaminated skin with large amounts of water. Do not eat, smoke, or drink in work areas. Cadmium dust or powder is a moderate firehazard when exposed to heat (autoignition temperature: 250 °C) or flame, or by chemical reaction with oxidizing agents, metals, hydrogen azide, zinc, selenium, or tellurium. Wear a self-contained breathing apparatus when fighting such fires. Cadmium should be stored in closed containers, away from sources of physical damage. Consult the regulatory requirements of the U.S. Department of Transportation before shipping cadmium, and with environmental regulatory agencies before implementing land disposal of cadmium wastes."},"Heat Of Vaporization":{Value:"99.87 kJ/mole at 767 °C (boiling point)"},"Melting Point":{Value:"32.0691 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of Refraction: 1.8 at 578 nm and 20 °C/D"},Solubility:{Value:"Insoluble in water"},Uses:{Value:"Used in bearing alloys with low coefficients of friction and great resistance to fatigue; it is used extensively in electroplating ... many types of solder, for standard E.M.F. /electromotive force/ cells, for Ni-Cd batteries and as a barrier to control atomic fission."}},ReducedFormula:"Cd1"},23974:{PUBCHEM:{CID:"23974","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cerium","IUPAC Name CAS-like Style":"Cerium","IUPAC Name Markup":"Cerium","IUPAC Name Preferred":"Cerium","IUPAC Name Systematic":"Cerium","IUPAC Name Traditional":"Cerium",InChI:"1S/Ce",InChIKey:"GWXLDORMOJMVQZ-UHFFFAOYSA-N","Exact Mass":139.90545,"Molecular Formula":"Ce","Molecular Weight":140.12,"Monoisotopic Mass":139.90545,Charge:0,"Easy Name":"Cerium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Ce1"},23976:{PUBCHEM:{CID:"23976","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromium","IUPAC Name CAS-like Style":"Chromium","IUPAC Name Markup":"Chromium","IUPAC Name Preferred":"Chromium","IUPAC Name Systematic":"Chromium","IUPAC Name Traditional":"Chromium",InChI:"1S/Cr",InChIKey:"VYZAMTAEIAYCRO-UHFFFAOYSA-N","Exact Mass":51.940505,"Molecular Formula":"Cr","Molecular Weight":51.996,"Monoisotopic Mass":51.940505,Charge:0,"Easy Name":"Chromium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2642 °C"},"Color And Form":{Value:"Steel-gray, lustrous metal; body-centered cubic structure"},Density:{Value:"7.14 at 20 °C"},"Heat Of Vaporization":{Value:"81.7 kcal/mol (at the boiling point)"},"Melting Point":{Value:"1907 °C"},Odor:{Value:"Odorless"},pH:{Value:"Bivalent chromium compounds are basic; trivalent chromium compounds are amphoteric; hexavalent chromium compounds are acidic"},Solubility:{Value:"Insoluble in water"},Uses:{Value:"In maufacturing of chrome-steel or chrome-nickel-steel alloys (stainless steel), nonferrous alloys, heat resistant bricks for refractory furnaces. To greatly increase strength, hardness and resistance of metals to abrasion, corrosion and oxidation. For chrome plating of other metals; leather tanning; as pigment and mordant; wood preservative. Use of (51)Cr as diagnostic aid."},"Vapor Pressure":{Value:"2.45X10-8 Pa at 1000 deg K; 0.0239 Pa at 1400 deg K; 1.80 Pa at 1600 deg K; 774 Pa at 2000 deg K"}},ReducedFormula:"Cr1"},23978:{PUBCHEM:{CID:"23978","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper","IUPAC Name CAS-like Style":"Copper","IUPAC Name Markup":"Copper","IUPAC Name Preferred":"Copper","IUPAC Name Systematic":"Copper","IUPAC Name Traditional":"Copper",InChI:"1S/Cu",InChIKey:"RYGMFSIKBFXOCR-UHFFFAOYSA-N","Exact Mass":62.929597,"Molecular Formula":"Cu","Molecular Weight":63.55,"Monoisotopic Mass":62.929597,Charge:0,"Easy Name":"Copper","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2595 °C"},"Color And Form":{Value:"Reddish, lustrous, ductile, malleable metal"},Density:{Value:"8.94"},"Heat Of Vaporization":{Value:"1150 cal/g"},"Melting Point":{Value:"1083 °C"},Odor:{Value:"Odorless /Copper dusts and mists/"},Solubility:{Value:"Slightly sol in dilute acid"},Uses:{Value:"For Copper (USEPA/OPP Pesticide Code: 022501) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1 mm Hg @ 1628 °C"}},ReducedFormula:"Cu1"},23979:{PUBCHEM:{CID:"23979","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Curium","IUPAC Name CAS-like Style":"Curium","IUPAC Name Markup":"Curium","IUPAC Name Preferred":"Curium","IUPAC Name Systematic":"Curium","IUPAC Name Traditional":"Curium",InChI:"1S/Cm",InChIKey:"NIWWFAAXEMMFMS-UHFFFAOYSA-N","Exact Mass":247.07035,"Molecular Formula":"Cm","Molecular Weight":247.07035,"Monoisotopic Mass":247.07035,Charge:0,"Easy Name":"Curium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Cm1"},23980:{PUBCHEM:{CID:"23980","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Erbium","IUPAC Name CAS-like Style":"Erbium","IUPAC Name Markup":"Erbium","IUPAC Name Preferred":"Erbium","IUPAC Name Systematic":"Erbium","IUPAC Name Traditional":"Erbium",InChI:"1S/Er",InChIKey:"UYAHIZSMUZPPFV-UHFFFAOYSA-N","Exact Mass":165.9303,"Molecular Formula":"Er","Molecular Weight":167.26,"Monoisotopic Mass":165.9303,Charge:0,"Easy Name":"Erbium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Er1"},23981:{PUBCHEM:{CID:"23981","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium","IUPAC Name CAS-like Style":"Europium","IUPAC Name Markup":"Europium","IUPAC Name Preferred":"Europium","IUPAC Name Systematic":"Europium","IUPAC Name Traditional":"Europium",InChI:"1S/Eu",InChIKey:"OGPBJKLSAFTDLK-UHFFFAOYSA-N","Exact Mass":152.92124,"Molecular Formula":"Eu","Molecular Weight":151.96,"Monoisotopic Mass":152.92124,Charge:0,"Easy Name":"Europium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Eu1"},23982:{PUBCHEM:{CID:"23982","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gadolinium","IUPAC Name CAS-like Style":"Gadolinium","IUPAC Name Markup":"Gadolinium","IUPAC Name Preferred":"Gadolinium","IUPAC Name Systematic":"Gadolinium","IUPAC Name Traditional":"Gadolinium",InChI:"1S/Gd",InChIKey:"UIWYJDYFSGRHKR-UHFFFAOYSA-N","Exact Mass":157.92411,"Molecular Formula":"Gd","Molecular Weight":157.2,"Monoisotopic Mass":157.92411,Charge:0,"Easy Name":"Gadolinium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"3273 °C"},"Color And Form":{Value:"Silvery metal; hexagonal"},Density:{Value:"7.90 g/cu cm"},"Melting Point":{Value:"1313 °C"},Solubility:{Value:"Soluble in dilute acid"},Uses:{Value:"As little as 1% gadolinium has been found to improve the workability and resistance of iron, chromium, and related alloys to high temperature and oxidation."},"Vapor Pressure":{Value:"5.7X10-10 Pa at 1000 K; 1.54X10-6 Pa at 1200 K; 0.000429 Pa at 1400 K; 0.0279 Pa at 1600 K; 0.618 Pa at 1800 K; 7.39 Pa at 2000 K; 56.2 Pa at 2200 K (calculated)"}},ReducedFormula:"Gd1"},23984:{PUBCHEM:{CID:"23984","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Germane","IUPAC Name CAS-like Style":"Germane","IUPAC Name Markup":"Germane","IUPAC Name Preferred":"Germane","IUPAC Name Systematic":"Germane","IUPAC Name Traditional":"Germane",InChI:"1S/GeH4/h1H4",InChIKey:"QUZPNFFHZPRKJD-UHFFFAOYSA-N","Exact Mass":77.9524779,"Molecular Formula":"GeH4","Molecular Weight":76.66,"Monoisotopic Mass":77.9524779,Charge:0,"Easy Name":"Germane","Easy Category":"Hydride"},HSDB:{"Boiling Point":{Value:"-88.1 °C"},"Color And Form":{Value:"Colorless gas"},Density:{Value:"3.133 g/L"},"Melting Point":{Value:"-165 °C"},Odor:{Value:"Pungent"},Solubility:{Value:"Soluble in hot hydrochloric acid"},"Vapor Pressure":{Value:"> 1 atmosphere"}},ReducedFormula:"Ge1H4"},23985:{PUBCHEM:{CID:"23985","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gold","IUPAC Name CAS-like Style":"Gold","IUPAC Name Markup":"Gold","IUPAC Name Preferred":"Gold","IUPAC Name Systematic":"Gold","IUPAC Name Traditional":"Gold",InChI:"1S/Au",InChIKey:"PCHJSUWPFVWCPO-UHFFFAOYSA-N","Exact Mass":196.96657,"Molecular Formula":"Au","Molecular Weight":196.96657,"Monoisotopic Mass":196.96657,Charge:0,"Easy Name":"Gold","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2700 deg C"},"Color And Form":{Value:"Soft, yellow metal"},Density:{Value:"19.3"},"Heat Of Vaporization":{Value:"324 kJ/mol"},"Melting Point":{Value:"1064.76 deg C"},Odor:{Value:"No odor"},Solubility:{Value:"INSOL IN WATER, ACID; SOL IN POTASSIUM CYANIDE, HOT SULFURIC ACID"},Uses:{Value:"In manufacture of jewelry; in gold plating other metals; as a standard of currency; most frequently alloyed with silver and copper."}},ReducedFormula:"Au1"},23986:{PUBCHEM:{CID:"23986","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hafnium","IUPAC Name CAS-like Style":"Hafnium","IUPAC Name Markup":"Hafnium","IUPAC Name Preferred":"Hafnium","IUPAC Name Systematic":"Hafnium","IUPAC Name Traditional":"Hafnium",InChI:"1S/Hf",InChIKey:"VBJZVLUMGGDVMO-UHFFFAOYSA-N","Exact Mass":179.94656,"Molecular Formula":"Hf","Molecular Weight":178.5,"Monoisotopic Mass":179.94656,Charge:0,"Easy Name":"Hafnium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"4603 °C"},"Color And Form":{Value:"Gray crystals"},Density:{Value:"13.31"},"Melting Point":{Value:"2233 °C"},Solubility:{Value:"Hafnium is slowly attacked by concentrated sulfuric acid. Hafnium is unaffected by nitric acid in all concentrations. It is resistant to dilute solutions of hydrochloric acid and sulfuric acid. Hafnium is attacked by all mineral acids if traces of fluorides are present. Hafnium is very resistant to attack by alkalies."},Uses:{Value:"Use in control rods in water-cooled nuclear reactors; in gas-filled tubes and incandescent lamps as a scavenger for oxygen and nitrogen; in the manufacture of photographic flash bulbs, light bulb filaments, and in electronic equipment as cathodes and capacitors."},"Vapor Pressure":{Value:"1X10-05 Pa at 1767 °C; 1X10-04 Pa at 2007 °C"}},ReducedFormula:"Hf1"},23987:{PUBCHEM:{CID:"23987","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Helium","IUPAC Name CAS-like Style":"Helium","IUPAC Name Markup":"Helium","IUPAC Name Preferred":"Helium","IUPAC Name Systematic":"Helium","IUPAC Name Traditional":"Helium",InChI:"1S/He",InChIKey:"SWQJXJOGLNCZEY-UHFFFAOYSA-N","Exact Mass":4.0026032541,"Molecular Formula":"He","Molecular Weight":4.0026,"Monoisotopic Mass":4.0026032541,Charge:0,"Easy Name":"Helium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"-268.928 °C"},"Color And Form":{Value:"Colorless gas"},Density:{Value:"1.64 g/L"},"Melting Point":{Value:"No triple point"},Odor:{Value:"Odorless"},Solubility:{Value:"Very slightly soluble in water: at 0 °C, 0.97 mL/100 mL; at 50 °C, 1.08 mL/100 mL"},Taste:{Value:"Tasteless"},Uses:{Value:"Liquid helium (the most volatile liquid known) as cryogen for the production of low temps, in MRI machines. Gas in manufacture of semiconducting devices; in detection devices for leaks in vacuum systems; in Ne-He lasers; in gas mixtures as the working fluid in plasma devices; in mixtures with Ne and Ar in Geiger counters. Q-Gas, a mixture of 98.7% He and 1.3% butane, has been used as a filing for gas-flow Geiger counters. Gas as a shield in gas tungsten-arc welding, in metal processing; substitute for N2 in synthetic breathing gas for deep sea divers and workers in high pressure conditions; coolant in high temperature nuclear reactors; carrier gas in gas-liquid and gas-solid chromatography; inert diluent; to create inert atmosphere; to fill balloons and airships"},Viscosity:{Value:"1.953 at 20 °C, 0.1 MPa; 1.977 at 20 °C, 20 MPa"}},ReducedFormula:"He1"},23988:{PUBCHEM:{CID:"23988","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Holmium","IUPAC Name CAS-like Style":"Holmium","IUPAC Name Markup":"Holmium","IUPAC Name Preferred":"Holmium","IUPAC Name Systematic":"Holmium","IUPAC Name Traditional":"Holmium",InChI:"1S/Ho",InChIKey:"KJZYNXUDTRRSPN-UHFFFAOYSA-N","Exact Mass":164.93033,"Molecular Formula":"Ho","Molecular Weight":164.93033,"Monoisotopic Mass":164.93033,Charge:0,"Easy Name":"Holmium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Ho1"},23989:{PUBCHEM:{CID:"23989","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Uranium","IUPAC Name CAS-like Style":"Uranium","IUPAC Name Markup":"Uranium","IUPAC Name Preferred":"Uranium","IUPAC Name Systematic":"Uranium","IUPAC Name Traditional":"Uranium",InChI:"1S/U",InChIKey:"JFALSRSLKYAFGM-UHFFFAOYSA-N","Exact Mass":238.05079,"Molecular Formula":"U","Molecular Weight":238.0289,"Monoisotopic Mass":238.05079,Charge:0,"Easy Name":"Uranium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"4131 °C"},"Color And Form":{Value:"Silver-white, malleable, ductile, lustrous solid"},Density:{Value:"19.1 g/cu cm"},"Heat Of Vaporization":{Value:"446.7 kJ/mol"},"Melting Point":{Value:"1135 °C"},Solubility:{Value:"Insol in water, alkalis, alcohol; soluble in acids"},Uses:{Value:"Uranium is used in nuclear power reactors and nuclear weapons. Uranium depleted of uranium-235 is used to manufacture armor-piercing ammunition, in inertial guidance devices and gyro compasses, as a counterweight for missile reentry vehicles, as radiation shielding material, and x-ray targets."},"Vapor Pressure":{Value:"0 mm Hg at 20 °C"}},ReducedFormula:"U1"},23991:{PUBCHEM:{CID:"23991","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Xenon","IUPAC Name CAS-like Style":"Xenon","IUPAC Name Markup":"Xenon","IUPAC Name Preferred":"Xenon","IUPAC Name Systematic":"Xenon","IUPAC Name Traditional":"Xenon",InChI:"1S/Xe",InChIKey:"FHNFHKCVQCLJFQ-UHFFFAOYSA-N","Exact Mass":131.90415509,"Molecular Formula":"Xe","Molecular Weight":131.29,"Monoisotopic Mass":131.90415509,Charge:0,"Easy Name":"Xenon","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Xe1"},23992:{PUBCHEM:{CID:"23992","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ytterbium","IUPAC Name CAS-like Style":"Ytterbium","IUPAC Name Markup":"Ytterbium","IUPAC Name Preferred":"Ytterbium","IUPAC Name Systematic":"Ytterbium","IUPAC Name Traditional":"Ytterbium",InChI:"1S/Yb",InChIKey:"NAWDYIZEMPQZHO-UHFFFAOYSA-N","Exact Mass":173.9388675,"Molecular Formula":"Yb","Molecular Weight":173.04,"Monoisotopic Mass":173.9388675,Charge:0,"Easy Name":"Ytterbium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Yb1"},23993:{PUBCHEM:{CID:"23993","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Yttrium","IUPAC Name CAS-like Style":"Yttrium","IUPAC Name Markup":"Yttrium","IUPAC Name Preferred":"Yttrium","IUPAC Name Systematic":"Yttrium","IUPAC Name Traditional":"Yttrium",InChI:"1S/Y",InChIKey:"VWQVUPCCIRVNHF-UHFFFAOYSA-N","Exact Mass":88.90584,"Molecular Formula":"Y","Molecular Weight":88.9058,"Monoisotopic Mass":88.90584,Charge:0,"Easy Name":"Yttrium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"3345 °C"},"Color And Form":{Value:"Iron-gray, lustrous powder; darkens on exposure to light"},Density:{Value:"4.47 g/cu cm"},"Melting Point":{Value:"1522 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Decomposes in water"},Uses:{Value:"Yttrium is used ... in iron and other alloys, in incandescent gas mantles, as a deoxidizer for metals, in coatings of high temperature metals, in television screen phosphors, and in yttrium-aluminum-garnet (YAG) lasers."},"Vapor Pressure":{Value:"6.66X10-11 Pa at 1000 K; 2.96x10-7 Pa at 1200 K; 1.17x10-4 Pa at 1400 K; 1.02x10-2 Pa at 1600 K; 0.316 Pa at 1800 K; 4.27 Pa at 2000 K; 35.9 Pa at 2200 K"}},ReducedFormula:"Y1"},23994:{PUBCHEM:{CID:"23994","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc","IUPAC Name CAS-like Style":"Zinc","IUPAC Name Markup":"Zinc","IUPAC Name Preferred":"Zinc","IUPAC Name Systematic":"Zinc","IUPAC Name Traditional":"Zinc",InChI:"1S/Zn",InChIKey:"HCHKCACWOHOZIP-UHFFFAOYSA-N","Exact Mass":63.929142,"Molecular Formula":"Zn","Molecular Weight":65.4,"Monoisotopic Mass":63.929142,Charge:0,"Easy Name":"Zinc","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"907 °C"},"Color And Form":{Value:"Bluish-white, lustrous metal; distorted hexagonal close-packed structure; when heated to 100-150 °C becomes malleable, at 210 °C becomes brittle and pulverizable"},Density:{Value:"7.133 g/cu cm at 25 °C; 6.830 g/cu cm at 419.5 °C (solid); 6.620 g/cu cm at 419.5 °C (liquid); 6.250 g/cu cm at 800 °C"},"Heat Of Vaporization":{Value:"114.8 kJ/mol at 907 °C"},"Melting Point":{Value:"419.53 °C"},Solubility:{Value:"Soluble in acids and alkalies; insoluble in water"},Uses:{Value:"For zinc, elemental (USEPA/OPP Pesticide Code: 129015) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.47X10-6 Pa (1.10X10-8 mm Hg) at 400 K (127 °C); 0.653 Pa (4.9X10-3 mm Hg) at 600 K (327 °C)"}},ReducedFormula:"Zn1"},23995:{PUBCHEM:{CID:"23995","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zirconium","IUPAC Name CAS-like Style":"Zirconium","IUPAC Name Markup":"Zirconium","IUPAC Name Preferred":"Zirconium","IUPAC Name Systematic":"Zirconium","IUPAC Name Traditional":"Zirconium",InChI:"1S/Zr",InChIKey:"QCWXUUIWCKQGHC-UHFFFAOYSA-N","Exact Mass":89.904699,"Molecular Formula":"Zr","Molecular Weight":91.22,"Monoisotopic Mass":89.904699,Charge:0,"Easy Name":"Zirconium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"4406 °C"},"Color And Form":{Value:"Bluish-black, amorphous powder or grayish-white lustrous metal (platelets or flakes) of hexagonal lattice below 865 °C; body-centered cubic above 865 °C"},Density:{Value:"6.52 g/cu cm"},"Melting Point":{Value:"1854 °C"},Solubility:{Value:"Soluble in hot concentrated acid"},Uses:{Value:"... Used in the development of reserve batteries; the heat pellet used in the activation of these batteries is usually a mixture of zirconium and an oxidant such as potassium perchlorate. Such batteries have been manufactured for military ordinance for use in rockets, bombs, missiles, etc."},"Vapor Pressure":{Value:"Approximately 0 mm Hg"}},ReducedFormula:"Zr1"},23997:{PUBCHEM:{CID:"23997","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Californium","IUPAC Name CAS-like Style":"Californium","IUPAC Name Markup":"Californium","IUPAC Name Preferred":"Californium","IUPAC Name Systematic":"Californium","IUPAC Name Traditional":"Californium",InChI:"1S/Cf",InChIKey:"HGLDOAKPQXAFKI-UHFFFAOYSA-N","Exact Mass":251.07959,"Molecular Formula":"Cf","Molecular Weight":251.07959,"Monoisotopic Mass":251.07959,Charge:0,"Easy Name":"Californium","Easy Category":"Chemical element"},HSDB:{"Color And Form":{Value:"Alpha phase: hexagonal; beta phase: face centered cubic (metal)"},Density:{Value:"15.1 g/mL at 25 °C (alpha phase); 8.70 g/mL at 25 °C (beta phase) (metal)"},"Melting Point":{Value:"900 +/- 30 °C (metal)"},Uses:{Value:"The only californium isotope that has a commercial use is californium-252. Because this radionuclide is only available in very small quantities its uses are quite limited. Californium-252 is a very strong neutron emitter, with one microgram emitting 170 million neutrons per minute. Thin foils containing californium-252 can be used as a source of fission fragments for research purposes. Californium-252 can also be used as a portable neutron source to identify gold or silver ores through neutron activation analysis, and it can be used in moisture gauges to locate water and oil-bearing layers in oil wells. In addition, californium-252 is used in brachytherapy to treat various types of cancer."}},ReducedFormula:"Cf1"},23998:{PUBCHEM:{CID:"23998","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Fermium","IUPAC Name CAS-like Style":"Fermium","IUPAC Name Markup":"Fermium","IUPAC Name Preferred":"Fermium","IUPAC Name Systematic":"Fermium","IUPAC Name Traditional":"Fermium",InChI:"1S/Fm",InChIKey:"MIORUQGGZCBUGO-UHFFFAOYSA-N","Exact Mass":257.09511,"Molecular Formula":"Fm","Molecular Weight":257.09511,"Monoisotopic Mass":257.09511,Charge:0,"Easy Name":"Fermium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Fm1"},24007:{PUBCHEM:{CID:"24007","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Selenium dioxide","IUPAC Name CAS-like Style":"Selenium dioxide","IUPAC Name Markup":"Selenium dioxide","IUPAC Name Preferred":"Selenium dioxide","IUPAC Name Systematic":"Selenium dioxide","IUPAC Name Traditional":"Selenium dioxide",InChI:"1S/O2Se/c1-3-2",InChIKey:"JPJALAQPGMAKDF-UHFFFAOYSA-N","Exact Mass":111.90635,"Molecular Formula":"O2Se","Molecular Weight":110.97,"Monoisotopic Mass":111.90635,Charge:0,"Easy Name":"Selenium dioxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"Lustrous tetragonal needles; yellowish green vapor"},Density:{Value:"3.954 at 15 °C/15 °C"},"Melting Point":{Value:"340 °C under pressure"},Odor:{Value:"Vapor has a pungent sour smell"},"Refractive Index":{Value:"Index of refraction: less than 1.76 at 20 °C/D"},Solubility:{Value:"Soluble in concentrated sulfuric acid"},Taste:{Value:"Acidic taste; leaves a burning sensation."},Uses:{Value:"In the manufacture of other selenium compounds."},"Vapor Pressure":{Value:"12.5 mm Hg at 70 °C; 20.2 mm Hg at 94 °C; 39.0 mm Hg at 181 °C; 760 mm Hg at 315 °C; 848 mm Hg at 320 °C"}},ReducedFormula:"O2Se1"},24008:{PUBCHEM:{CID:"24008","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Plumbous;sulfate","IUPAC Name CAS-like Style":"Lead(2+);sulfate","IUPAC Name Markup":"Lead(2+);sulfate","IUPAC Name Preferred":"Lead(2+);sulfate","IUPAC Name Systematic":"Lead(2+);sulfate","IUPAC Name Traditional":"Plumbous;sulfate",InChI:"1S/H2O4S.Pb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",InChIKey:"KEQXNNJHMWSZHK-UHFFFAOYSA-L","Exact Mass":303.92838,"Molecular Formula":"O4PbS","Molecular Weight":303,"Monoisotopic Mass":303.92838,Charge:0,"Easy Name":"Lead (II) sulfate","Easy Category":"Inorganic matter"},HSDB:{"Color And Form":{Value:"White, heavy crystal powder"},Density:{Value:"6.2 g/cu cm"},"Melting Point":{Value:"1170 °C"},"Refractive Index":{Value:"Index of refraction: 1.877, 1.822, 1.894"},Solubility:{Value:"In water, 0.0404 g/100 mL at 25 °C; slightly soluble in alkaline solutions."},Uses:{Value:"Has been used in photography in combination with silver bromide and is used in the stabilization of clay soil for adobe structures, in earth-fill dams, and roads."}},ReducedFormula:"O4Pb1S1"},24010:{PUBCHEM:{CID:"24010","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Antimony(3+);trisulfate","IUPAC Name CAS-like Style":"Antimony(3+);trisulfate","IUPAC Name Markup":"Antimony(3+);trisulfate","IUPAC Name Preferred":"Antimony(3+);trisulfate","IUPAC Name Systematic":"Antimony(3+);trisulfate","IUPAC Name Traditional":"Antimony(3+);trisulfate",InChI:"1S/3H2O4S.2Sb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",InChIKey:"MVMLTMBYNXHXFI-UHFFFAOYSA-H","Exact Mass":531.66321,"Molecular Formula":"O12S3Sb2","Molecular Weight":531.7,"Monoisotopic Mass":529.66281,Charge:0,"Easy Name":"Antimony sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O12S3Sb2"},24012:{PUBCHEM:{CID:"24012","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichloroalumane","IUPAC Name CAS-like Style":"Trichloroalumane","IUPAC Name Markup":"Trichloroalumane","IUPAC Name Preferred":"Trichloroalumane","IUPAC Name Systematic":"Tris(chloranyl)alumane","IUPAC Name Traditional":"Trichloroalumane",InChI:"1S/Al.3ClH/h;3*1H/q+3;;;/p-3",InChIKey:"VSCWAEJMTAWNJL-UHFFFAOYSA-K","Exact Mass":131.888096,"Molecular Formula":"AlCl3","Molecular Weight":133.34,"Monoisotopic Mass":131.888096,Charge:0,"Easy Name":"Aluminium chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"182.7 °C at 752 mm Hg /Sublimation temperature/"},"Color And Form":{Value:"White when pure; ordinarily gray or yellow to greenish"},"Critical Temperature And Pressure":{Value:"Critical temperature: 620 K; critical pressure: 2.63 MPa"},Density:{Value:"2.48"},"Melting Point":{Value:"192.6 °C"},Odor:{Value:"STRONG ODOR OF HYDROGEN CHLORIDE"},Solubility:{Value:"Soluble in benzene, carbon tetrachloride, chloroform."},Uses:{Value:'The active ingredient is no longer contained in any registered products ... "cancelled."'},"Vapor Pressure":{Value:"1 mm Hg at 100.0 °C"}},ReducedFormula:"Al1Cl3"},24014:{PUBCHEM:{CID:"24014","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorocopper","IUPAC Name CAS-like Style":"Dichlorocopper","IUPAC Name Markup":"Dichlorocopper","IUPAC Name Preferred":"Dichlorocopper","IUPAC Name Systematic":"Bis(chloranyl)copper","IUPAC Name Traditional":"Dichlorocopper",InChI:"1S/2ClH.Cu/h2*1H;/q;;+2/p-2",InChIKey:"ORTQZVOHEJQUHG-UHFFFAOYSA-L","Exact Mass":132.867303,"Molecular Formula":"Cl2Cu","Molecular Weight":134.45,"Monoisotopic Mass":132.867303,Charge:0,"Easy Name":"Copper (II) chloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"993 °C DECOMP TO CUPROUS CHLORIDE"},"Color And Form":{Value:"Yellow to brown, microcrystalline powder"},Density:{Value:"3.39 @ 25 °C/4 °C"},"Melting Point":{Value:"630 °C (extrapolated)"},Solubility:{Value:"Soluble in acetone."},Uses:{Value:"As catalyst for org and inorg reactions; in petroleum industry as deodorizing, desulfurizing, purifying agent; as mordant for dyeing and printing textiles; as oxidizing agent for aniline dyestuffs; in indelible, invisible, and laundry marking inks; in metallurgy in wet process for recovering mercury from ores; in refining copper, silver, gold; in tinting baths for iron, tin; in electrotyping baths for plating copper or aluminum; in photography as fixer, desensitizer, and reagent; in producing color in pyrotechnic compositions; in manufacturing of acrylonitrile, fast black (melanin); in pigments for glass, ceramics; as feed additive, wood preservative, disinfectant."}},ReducedFormula:"Cl2Cu1"},24073:{PUBCHEM:{CID:"24073","Compound Complexity":103,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Disodium;hexanedioate","IUPAC Name CAS-like Style":"Disodium;hexanedioate","IUPAC Name Markup":"Disodium;hexanedioate","IUPAC Name Preferred":"Disodium;hexanedioate","IUPAC Name Systematic":"Disodium;hexanedioate","IUPAC Name Traditional":"Disodium;adipate",InChI:"1S/C6H10O4.2Na/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",InChIKey:"KYKFCSHPTAVNJD-UHFFFAOYSA-L","Exact Mass":190.0217973,"Molecular Formula":"C6H8Na2O4","Molecular Weight":190.1,"Monoisotopic Mass":190.0217973,Charge:0,"Easy Name":"Sodium adipate","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H8Na2O4"},24154:{PUBCHEM:{CID:"24154","Compound Complexity":155,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol","IUPAC Name CAS-like Style":"(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Markup":"(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Preferred":"(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Systematic":"(3R,4R,5R,6R)-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Traditional":"(3R,4R,5R,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol",InChI:"1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1",InChIKey:"MSWZFWKMSRAUBD-GASJEMHNSA-N","Log P":-2.8,"Exact Mass":179.07937252,"Molecular Formula":"C6H13NO5","Molecular Weight":179.17,"Monoisotopic Mass":179.07937252,Charge:0,"Easy Name":"Galactosamine","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H13N1O5"},24193:{PUBCHEM:{CID:"24193","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachlorotitanium","IUPAC Name CAS-like Style":"Tetrachlorotitanium","IUPAC Name Markup":"Tetrachlorotitanium","IUPAC Name Preferred":"Tetrachlorotitanium","IUPAC Name Systematic":"Tetrakis(chloranyl)titanium","IUPAC Name Traditional":"Tetrachlorotitanium",InChI:"1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4",InChIKey:"XJDNKRIXUMDJCW-UHFFFAOYSA-J","Exact Mass":189.820402,"Molecular Formula":"Cl4Ti","Molecular Weight":189.7,"Monoisotopic Mass":187.823352,Charge:0,"Easy Name":"Titanium tetrachloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"136.4 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 370 °C"},Density:{Value:"1.726"},"Heat Of Vaporization":{Value:"36.2 kJ/mol @ 136.45 °C"},"Melting Point":{Value:"-24.1 °C"},"NFPA Hazard Classification":{Value:"3-0-1"},Odor:{Value:"Penetrating acid odor"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.61 @ 10.5 °C"},Solubility:{Value:"Sol in cold water, alcohol"},Uses:{Value:"Pure titanium and titanium salts; irridescent effects in glass; smoke screens; titanium pigments; polymerization catalyst."},"Vapor Pressure":{Value:"1.31X10-2 atm @ 20 °C"},Viscosity:{Value:"0.079 cP"}},ReducedFormula:"Cl4Ti1"},24203:{PUBCHEM:{CID:"24203","Compound Complexity":46.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;hydrogen phosphate","IUPAC Name CAS-like Style":"Disodium;hydrogen phosphate","IUPAC Name Markup":"Disodium;hydrogen phosphate","IUPAC Name Preferred":"Disodium;hydrogen phosphate","IUPAC Name Systematic":"Disodium;hydrogen phosphate","IUPAC Name Traditional":"Disodium;hydrogen phosphate",InChI:"1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",InChIKey:"BNIILDVGGAEEIG-UHFFFAOYSA-L","Exact Mass":141.94078407,"Molecular Formula":"HNa2O4P","Molecular Weight":141.959,"Monoisotopic Mass":141.94078407,Charge:0,"Easy Name":"Disodium phosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless, translucent crystals or white powder."},Density:{Value:"approx 1.7 g/cu cm"},Odor:{Value:"NONE"},pH:{Value:"pH = 9.1 for 1% aq soln at 25 °C"},Solubility:{Value:"11.8 g/100 g water at 25 °C"},Taste:{Value:"Saline taste"},Uses:{Value:"For Disodium phosphate (USEPA/OPP Pesticide Code: 076403) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"H1Na2O4P1"},24233:{PUBCHEM:{CID:"24233","Compound Complexity":30.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3-dichlorobutane","IUPAC Name CAS-like Style":"2,3-dichlorobutane","IUPAC Name Markup":"2,3-dichlorobutane","IUPAC Name Preferred":"2,3-dichlorobutane","IUPAC Name Systematic":"2,3-bis(chloranyl)butane","IUPAC Name Traditional":"2,3-dichlorobutane",InChI:"1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3",InChIKey:"RMISVOPUIFJTEO-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":126.0003056,"Molecular Formula":"C4H8Cl2","Molecular Weight":127.01,"Monoisotopic Mass":126.0003056,Charge:0,"Easy Name":"2, 3-dichlorobutane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C4Cl2H8"},24243:{PUBCHEM:{CID:"24243","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisodium;phosphate","IUPAC Name CAS-like Style":"Trisodium;phosphate","IUPAC Name Markup":"Trisodium;phosphate","IUPAC Name Preferred":"Trisodium;phosphate","IUPAC Name Systematic":"Trisodium;phosphate","IUPAC Name Traditional":"Trisodium;phosphate",InChI:"1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",InChIKey:"RYFMWSXOAZQYPI-UHFFFAOYSA-K","Exact Mass":163.92272832,"Molecular Formula":"Na3O4P","Molecular Weight":163.941,"Monoisotopic Mass":163.92272832,Charge:0,"Easy Name":"Trisodium phosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless crystals"},Density:{Value:"2.54 g/cu cm"},"Melting Point":{Value:"1583 °C"},pH:{Value:"The aqueous soln is strongly alkaline. pH of 0.1% soln: 11.5; of 0.5% soln: 11.7; of 1.0% soln: 11.9."},Solubility:{Value:"14.5 g/100 g water at 25 °C"},Uses:{Value:"For trisodium phosphate (USEPA/OPP Pesticide Code: 076406) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Na3O4P1"},24247:{PUBCHEM:{CID:"24247","Compound Complexity":114,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Perchloric acid","IUPAC Name CAS-like Style":"Perchloric acid","IUPAC Name Markup":"Perchloric acid","IUPAC Name Preferred":"Perchloric acid","IUPAC Name Systematic":"Perchloric acid","IUPAC Name Traditional":"Perchloric acid",InChI:"1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)",InChIKey:"VLTRZXGMWDSKGL-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":99.9563362,"Molecular Formula":"ClHO4","Molecular Weight":100.46,"Monoisotopic Mass":99.9563362,Charge:0,"Easy Name":"Perchloric acid","Easy Category":"Inorganic acids"},HSDB:{"Boiling Point":{Value:"19 °C @ 11 MM HG"},"Color And Form":{Value:"COLORLESS, OILY LIQUID"},Density:{Value:"1.768 @ 22 °C"},"Melting Point":{Value:"-112 °C"},Odor:{Value:"odorless"},Solubility:{Value:"MISCIBLE IN COLD WATER"},Uses:{Value:"IN ANALYTICAL CHEMISTRY AS AN OXIDIZER & FOR SEPARATION OF POTASSIUM FROM SODIUM"}},ReducedFormula:"Cl1H1O4"},24261:{PUBCHEM:{CID:"24261","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxosilane","IUPAC Name CAS-like Style":"Dioxosilane","IUPAC Name Markup":"Dioxosilane","IUPAC Name Preferred":"Dioxosilane","IUPAC Name Systematic":"Bis(oxidanylidene)silane","IUPAC Name Traditional":"Diketosilane",InChI:"1S/O2Si/c1-3-2",InChIKey:"VYPSYNLAJGMNEJ-UHFFFAOYSA-N","Exact Mass":59.966755774,"Molecular Formula":"O2Si","Molecular Weight":60.084,"Monoisotopic Mass":59.966755774,Charge:0,"Easy Name":"Silicon dioxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"4046 °F"},"Color And Form":{Value:"Amorphous powder"},Density:{Value:"2.2 @ 25 °C"},"Melting Point":{Value:"3110 °F"},Odor:{Value:"Odorless"},Solubility:{Value:"Insoluble"},Uses:{Value:"For silicon dioxide (USEPA/OPP Pesticide Code: 072605 ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"approx 0 mm Hg"}},ReducedFormula:"O2Si1"},24266:{PUBCHEM:{CID:"24266","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Disodium;fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Disodium;fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Disodium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Disodium;fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Disodium;fluoro-keto-dioxido-phosphorane",InChI:"1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",InChIKey:"BFDWBSRJQZPEEB-UHFFFAOYSA-L","Exact Mass":143.93644758,"Molecular Formula":"FNa2O3P","Molecular Weight":143.95,"Monoisotopic Mass":143.93644758,Charge:0,"Easy Name":"Sodium monofluorophosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1Na2O3P1"},24267:{PUBCHEM:{CID:"24267","Compound Complexity":61.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Fluorophosphonic acid","IUPAC Name CAS-like Style":"Fluorophosphonic acid","IUPAC Name Markup":"Fluorophosphonic acid","IUPAC Name Preferred":"Fluorophosphonic acid","IUPAC Name Systematic":"Fluoranylphosphonic acid","IUPAC Name Traditional":"Fluorophosphonic acid",InChI:"1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)",InChIKey:"DWYMPOCYEZONEA-UHFFFAOYSA-N","Log P":-1.1,"Exact Mass":99.97255908,"Molecular Formula":"FH2O3P","Molecular Weight":99.986,"Monoisotopic Mass":99.97255908,Charge:0,"Easy Name":"Fluorophosphoric Acid","Easy Category":"Inorganic acids"},HSDB:{"Color And Form":{Value:"COLORLESS LIQUID"},Density:{Value:"1.818 @ 25 °C/4 °C"},Odor:{Value:"Practically no odor"},Solubility:{Value:"SOL IN ALL PROPORTIONS IN COLD WATER"},Uses:{Value:"In metal cleaners; electrolytic or chemical polishing agents; formation of protective coatings for metal surfaces; catalyst"},"Vapor Density":{Value:"3.45"},Viscosity:{Value:"VISCOUS LIQUID"}},ReducedFormula:"F1H2O3P1"},24268:{PUBCHEM:{CID:"24268","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;nitrate","IUPAC Name CAS-like Style":"Sodium;nitrate","IUPAC Name Markup":"Sodium;nitrate","IUPAC Name Preferred":"Sodium;nitrate","IUPAC Name Systematic":"Sodium;nitrate","IUPAC Name Traditional":"Sodium;nitrate",InChI:"1S/NO3.Na/c2-1(3)4;/q-1;+1",InChIKey:"VWDWKYIASSYTQR-UHFFFAOYSA-N","Exact Mass":84.97758715,"Molecular Formula":"NNaO3","Molecular Weight":84.995,"Monoisotopic Mass":84.97758715,Charge:0,"Easy Name":"Sodium nitrate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"380 °C with decomp"},"Color And Form":{Value:"Colorless, trigonal or rhombohedron crystals"},"Critical Temperature And Pressure":{Value:"Critical temperature = 1321 deg K"},Density:{Value:"2.26"},"Melting Point":{Value:"308 °C"},Odor:{Value:"Odorless"},pH:{Value:"Aq soln is neutral"},"Refractive Index":{Value:"Index of refraction = 1.587 (trigonal); 1.336 (rhombohedral)"},Solubility:{Value:"...is soluble in liquid ammonia and forms Na NO3.4NH3 below -42 °C. The solubility in anhydrous methanol is 2.8 wt% at 25 °C."},Taste:{Value:"Saline, slightly bitter taste"},Uses:{Value:"For sodium nitrate (USEPA/OPP Pesticide Code: 76104) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},Viscosity:{Value:"2.85 cP at 590 K; 1.53 cP at 730 K"}},ReducedFormula:"N1Na1O3"},24273:{PUBCHEM:{CID:"24273","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachlorovanadium","IUPAC Name CAS-like Style":"Tetrachlorovanadium","IUPAC Name Markup":"Tetrachlorovanadium","IUPAC Name Preferred":"Tetrachlorovanadium","IUPAC Name Systematic":"Tetrakis(chloranyl)vanadium","IUPAC Name Traditional":"Tetrachlorovanadium",InChI:"1S/4ClH.V/h4*1H;/q;;;;+4/p-4",InChIKey:"JTJFQBNJBPPZRI-UHFFFAOYSA-J","Exact Mass":192.816418,"Molecular Formula":"Cl4V","Molecular Weight":192.7,"Monoisotopic Mass":190.819368,Charge:0,"Easy Name":"Vanadium tetrachloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1518 °C"},"Color And Form":{Value:"Red-brown, oily liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 697 deg K (estimated); critical pressure: 6030 kPa (extrapolated)"},Density:{Value:"1.816 at 20 °C"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of vanadium tetrachloride stem from its toxicologic properties. Exposure to this red-to-brown, pungent liquid may occur from its production or use in the preparation of vanadium trichloride, vanadium dichloride, and organovanadium compounds, or as a mordant in the dyeing industry. Effects from exposure may include burns to the skin and eyes, dermatitis, rhinitis, tracheitis, bronchitis, or pulmonary edema. Engineering controls should be used to limit vanadium tetrachloride exposure. In activities and situations where over-exposure may occur, wear protective clothing specifically recommended by the shipper or producer to prevent skin contact, and a self-contained breathing apparatus. Safety showers and eyewash fountains should be located in areas where exposures are likely. If contact should occur, immediately flush eyes with copious amounts of tepid water for at least 15 minutes, and wash skin thoroughly with soap and water. Contaminated clothing should be removed and left at the work site for cleaning. While vanadium tetrachloride does not ignite easily, it may burn and is capable of igniting other combustible materials. Also, vanadium tetrachloride\'s heavier-than-air vapor may reach poisonous or flammable concentrations if allowed to accumulate in confined spaces. Because of its dangerous reactivity with water, fires involving vanadium tetrachloride should be extinguished with dry chemical, CO2, or Halon. If water must be used (e.g., with large fires), flood the fire area from a distance, knocking down vapor with water spray, but taking care not to direct a stream of water on the material itself. Dike fire-fighting runoff water to prevent vanadium tetrachloride from entering water sources and sewers. Vanadium tetrachloride should be stored in tightly closed containers, in cool, dry, well-ventilated areas, away from combustible materials (e.g., wood, oil, or paper), heat, sparks, sunlight, or steam pipes. Vanadium tetrachloride may be shipped domestically via air, rail, road, or water, in containers bearing the label, "Corrosive." For minor spills, flush with large quantities of water, then neutralize with sodium carbonate when fumes subside. For major spills, first evacuate the spill area for at least 50 feet in all directions. Cover the spill with foam or soda ash, or neutralize with crushed limestone or lime. Dike spilled material to prevent runoff.'},"Heat Of Vaporization":{Value:"42.5 kJ/mol at 25 °C, 41.4 kJ/mol at 151 °C"},"Melting Point":{Value:"-28 °C"},Odor:{Value:"Pungent odor due to slow decomposition at room temperature with Cl2 formation"},Solubility:{Value:"Reacts with water"},Uses:{Value:"Preparation of vanadium trichloride, vanadium dichloride, and organovanadium compounds."},"Vapor Density":{Value:"6 (Air = 1)"},"Vapor Pressure":{Value:"7.63 mm Hg at 25 °C"}},ReducedFormula:"Cl4V1"},24287:{PUBCHEM:{CID:"24287","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachlorostannane","IUPAC Name CAS-like Style":"Tetrachlorostannane","IUPAC Name Markup":"Tetrachlorostannane","IUPAC Name Preferred":"Tetrachlorostannane","IUPAC Name Systematic":"Tetrakis(chloranyl)stannane","IUPAC Name Traditional":"Tetrachlorostannane",InChI:"1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4",InChIKey:"HPGGPRDJHPYFRM-UHFFFAOYSA-J","Exact Mass":261.774663,"Molecular Formula":"Cl4Sn","Molecular Weight":260.5,"Monoisotopic Mass":259.777613,Charge:0,"Easy Name":"Tin (IV) chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"114.15 °C"},"Color And Form":{Value:"Colorless fuming liquid"},"Critical Temperature And Pressure":{Value:"Critical temp: 591.9 K; critical pressure: 3.75 MPa"},Density:{Value:"2.34 g/cu cm"},"Melting Point":{Value:"-33 °C"},Odor:{Value:"ACRID"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.512"},Solubility:{Value:"Soluble in acetone, ethanol, gasoline, benzene, carbon tetrachloride, toluene, kerosene, methanol"},Uses:{Value:"As mordant; reviving colors; dehydrating agent in organic syntheses; stabilizer for colors and perfumes in soap; in dyeing of fabrics, weighting silk, tinning vessels, in ceramics to produce abrasion resistant or light reflecting coatings."},"Vapor Density":{Value:"9 (air= 1)"},"Vapor Pressure":{Value:"18 MM HG AT 20 °C"}},ReducedFormula:"Cl4Sn1"},24288:{PUBCHEM:{CID:"24288","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorocobalt","IUPAC Name CAS-like Style":"Dichlorocobalt","IUPAC Name Markup":"Dichlorocobalt","IUPAC Name Preferred":"Dichlorocobalt","IUPAC Name Systematic":"Bis(chloranyl)cobalt","IUPAC Name Traditional":"Dichlorocobalt",InChI:"1S/2ClH.Co/h2*1H;/q;;+2/p-2",InChIKey:"GVPFVAHMJGGAJG-UHFFFAOYSA-L","Exact Mass":128.870899,"Molecular Formula":"Cl2Co","Molecular Weight":129.84,"Monoisotopic Mass":128.870899,Charge:0,"Easy Name":"Cobalt (II) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Co1"},24290:{PUBCHEM:{CID:"24290","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloropalladium","IUPAC Name CAS-like Style":"Dichloropalladium","IUPAC Name Markup":"Dichloropalladium","IUPAC Name Preferred":"Dichloropalladium","IUPAC Name Systematic":"Bis(chloranyl)palladium","IUPAC Name Traditional":"Dichloropalladium",InChI:"1S/2ClH.Pd/h2*1H;/q;;+2/p-2",InChIKey:"PIBWKRNGBLPSSY-UHFFFAOYSA-L","Exact Mass":175.84119,"Molecular Formula":"Cl2Pd","Molecular Weight":177.3,"Monoisotopic Mass":175.84119,Charge:0,"Easy Name":"Palladium (II) chloride","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Red rhombic crystals; hygroscopic"},Density:{Value:"4.0 g/cu cm"},"Melting Point":{Value:"678-680 °C"},Solubility:{Value:"Sol in water, ethanol, acetone"},Uses:{Value:"In photography, for preparing pictures to be transferred to porcelain; toning solutions; electroplating parts of clocks and watches; manufacture of indelible ink; for preparation of the metal for use as a catalyst; palladium dichloride paper is used for detecting carbon monoxide, to find leaks in buried gas pipes. Preparation of palladium catalysts ... ."}},ReducedFormula:"Cl2Pd1"},24293:{PUBCHEM:{CID:"24293","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;chloride","IUPAC Name CAS-like Style":"Cesium;chloride","IUPAC Name Markup":"Cesium;chloride","IUPAC Name Preferred":"Cesium;chloride","IUPAC Name Systematic":"Cesium;chloride","IUPAC Name Traditional":"Cesium;chloride",InChI:"1S/ClH.Cs/h1H;/q;+1/p-1",InChIKey:"AIYUHDOJVYHVIT-UHFFFAOYSA-M","Exact Mass":167.8743047,"Molecular Formula":"ClCs","Molecular Weight":168.36,"Monoisotopic Mass":167.8743047,Charge:0,"Easy Name":"Caesium chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1290 °C (sublimes)"},"Color And Form":{Value:"Colorless crystals"},Density:{Value:"3.988"},"Melting Point":{Value:"646 °C"},Solubility:{Value:"Soluble in ethanol"},Uses:{Value:"In x-ray fluorescent screens; as radiographic contrast medium; in manuf of cesium."}},ReducedFormula:"Cl1Cs1"},24294:{PUBCHEM:{CID:"24294","Compound Complexity":37.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentachloro-lambda5-stibane","IUPAC Name CAS-like Style":"Pentachlorostiborane","IUPAC Name Markup":"Pentachloro-λ5-stibane","IUPAC Name Preferred":"Pentachloro-lambda5-stibane","IUPAC Name Systematic":"Pentakis(chloranyl)-lambda5-stibane","IUPAC Name Traditional":"Pentachlorostiborane",InChI:"1S/5ClH.Sb/h5*1H;/q;;;;;+5/p-5",InChIKey:"VMPVEPPRYRXYNP-UHFFFAOYSA-I","Exact Mass":297.74512,"Molecular Formula":"Cl5Sb","Molecular Weight":299,"Monoisotopic Mass":295.74807,Charge:0,"Easy Name":"Antimony pentachloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"140 °C"},"Color And Form":{Value:"Colorless or yellow liquid"},Density:{Value:"3.10 g/cu cm"},"Heat Of Vaporization":{Value:"68.9 btu/Lb = 39.3 cal/g = 1.60X10+5 J/kg"},"Melting Point":{Value:"4 °C"},"NFPA Hazard Classification":{Value:"3-0-1"},Odor:{Value:"Pungent; offensive"},"Refractive Index":{Value:"Index of refraction: 1.5925 at 22 °C"},Solubility:{Value:"Reacts with water"},Uses:{Value:"As catalyst when replacing a fluorine substituent with chlorine in organic compounds."},"Vapor Pressure":{Value:"1 mm Hg at 22.7 °C"},Viscosity:{Value:"2.034 cP at 29.4 °C"}},ReducedFormula:"Cl5Sb1"},24295:{PUBCHEM:{CID:"24295","Compound Complexity":37.1,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentafluoro-lambda5-phosphane","IUPAC Name CAS-like Style":"Pentafluorophosphorane","IUPAC Name Markup":"Pentafluoro-λ5-phosphane","IUPAC Name Preferred":"Pentafluoro-lambda5-phosphane","IUPAC Name Systematic":"Pentakis(fluoranyl)-lambda5-phosphane","IUPAC Name Traditional":"Pentafluorophosphorane",InChI:"1S/F5P/c1-6(2,3,4)5",InChIKey:"OBCUTHMOOONNBS-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":125.96577781,"Molecular Formula":"F5P","Molecular Weight":125.9657778,"Monoisotopic Mass":125.96577781,Charge:0,"Easy Name":"Phosphorus pentafluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"-84.6 °C"},"Color And Form":{Value:"COLORLESS GAS"},"Critical Temperature And Pressure":{Value:"Critical temperature: >25 °C; Critical pressure: Not available"},Density:{Value:"5.805 G/L (GAS)"},"Heat Of Vaporization":{Value:"16.7 kJ/mol"},"Melting Point":{Value:"-93.8 °C"},Odor:{Value:"Unpleasant odor"},Uses:{Value:"Used as a source of phosphorus for ion implantation in semi-conductors; an excellent catalyst, especially in ionic polymerizations"}},ReducedFormula:"F5P1"},24310:{PUBCHEM:{CID:"24310","Compound Complexity":162,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3S,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1",InChIKey:"LKDRXBCSQODPBY-ARQDHWQXSA-N","Log P":-2.8,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Fructopyranose","Easy Category":"Ketohexoses"},HSDB:{"Color And Form":{Value:"CLEAR COLORLESS LIQUID IN WATER"},Odor:{Value:"ODORLESS"},Taste:{Value:"SWEET"},Uses:{Value:"MEDICATION (VET)"}},ReducedFormula:"C6H12O6"},24341:{PUBCHEM:{CID:"24341","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hypochlorous acid","IUPAC Name CAS-like Style":"Hypochlorous acid","IUPAC Name Markup":"Hypochlorous acid","IUPAC Name Preferred":"Hypochlorous acid","IUPAC Name Systematic":"Hypochlorous acid","IUPAC Name Traditional":"Hypochlorous acid",InChI:"1S/ClHO/c1-2/h2H",InChIKey:"QWPPOHNGKGFGJK-UHFFFAOYSA-N","Log P":.3,"Exact Mass":51.9715923,"Molecular Formula":"ClHO","Molecular Weight":52.46,"Monoisotopic Mass":51.9715923,Charge:0,"Easy Name":"Hypochlorous acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"Cl1H1O1"},24345:{PUBCHEM:{CID:"24345","Compound Complexity":46.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Iodic acid","IUPAC Name CAS-like Style":"Iodic acid","IUPAC Name Markup":"Iodic acid","IUPAC Name Preferred":"Iodic acid","IUPAC Name Systematic":"Iodic acid","IUPAC Name Traditional":"Iodic acid",InChI:"1S/HIO3/c2-1(3)4/h(H,2,3,4)",InChIKey:"ICIWUVCWSCSTAQ-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":175.89704,"Molecular Formula":"HIO3","Molecular Weight":175.911,"Monoisotopic Mass":175.89704,Charge:0,"Easy Name":"Iodic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H1I1O3"},24346:{PUBCHEM:{CID:"24346","Compound Complexity":71.2,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;sulfinato sulfite","IUPAC Name CAS-like Style":"Disodium;sulfinato sulfite","IUPAC Name Markup":"Disodium;sulfinato sulfite","IUPAC Name Preferred":"Disodium;sulfinato sulfite","IUPAC Name Systematic":"Disodium;sulfinato sulfite","IUPAC Name Traditional":"Disodium;sulfinato sulfite",InChI:"1S/2Na.H2O5S2/c;;1-6(2)5-7(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2",InChIKey:"LDTLADDKFLAYJA-UHFFFAOYSA-L","Exact Mass":189.89825401,"Molecular Formula":"Na2O5S2","Molecular Weight":190.11,"Monoisotopic Mass":189.89825401,Charge:0,"Easy Name":"Disodium disulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2O5S2"},24350:{PUBCHEM:{CID:"24350","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iodocopper","IUPAC Name CAS-like Style":"Iodocopper","IUPAC Name Markup":"Iodocopper","IUPAC Name Preferred":"Iodocopper","IUPAC Name Systematic":"Iodanylcopper","IUPAC Name Traditional":"Iodocopper",InChI:"1S/Cu.HI/h;1H/q+1;/p-1",InChIKey:"LSXDOTMGLUJQCM-UHFFFAOYSA-M","Exact Mass":189.83407,"Molecular Formula":"CuI","Molecular Weight":190.45,"Monoisotopic Mass":189.83407,Charge:0,"Easy Name":"Copper (I) iodide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"About 1290 °C"},"Color And Form":{Value:"DENSE POWDER OR CUBIC CRYSTALS (ZINC BLENDE STRUCTURE)"},Density:{Value:"5.67"},"Melting Point":{Value:"606 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.346"},Solubility:{Value:"Insoluble in dilute acid solutions"},Uses:{Value:"For Copper(I) iodide (USEPA/OPP Pesticide Code: 108301) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"10 MM HG @ 656 °C"}},ReducedFormula:"Cu1I1"},24373:{PUBCHEM:{CID:"24373","Compound Complexity":6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxozirconium;dihydrochloride","IUPAC Name CAS-like Style":"Oxozirconium;dihydrochloride","IUPAC Name Markup":"Oxozirconium;dihydrochloride","IUPAC Name Preferred":"Oxozirconium;dihydrochloride","IUPAC Name Systematic":"Oxidanylidenezirconium;dihydrochloride","IUPAC Name Traditional":"Ketozirconium;dihydrochloride",InChI:"1S/2ClH.O.Zr/h2*1H;;",InChIKey:"CMOAHYOGLLEOGO-UHFFFAOYSA-N","Exact Mass":177.852969,"Molecular Formula":"Cl2H2OZr","Molecular Weight":180.14,"Monoisotopic Mass":177.852969,Charge:0,"Easy Name":"Zirconyl chloride","Easy Category":"Oxohalides"},HSDB:{"Color And Form":{Value:"White, silky crystals"},Density:{Value:"1.91"},"Melting Point":{Value:"250 °C (decomposes)"},Solubility:{Value:"Soluble in water"},Uses:{Value:"To make other zirconium compounds; to precipitate acid dyes; to prepare high quality pigment toners; to improve the properties of color lakes. ... Has been used in preparation of body deodorants and antiperspirant preparations."}},ReducedFormula:"Cl2H2O1Zr1"},24380:{PUBCHEM:{CID:"24380","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichloroiron","IUPAC Name CAS-like Style":"Trichloroiron","IUPAC Name Markup":"Trichloroiron","IUPAC Name Preferred":"Trichloroiron","IUPAC Name Systematic":"Tris(chloranyl)iron","IUPAC Name Traditional":"Trichloroiron",InChI:"1S/3ClH.Fe/h3*1H;/q;;;+3/p-3",InChIKey:"RBTARNINKXHZNM-UHFFFAOYSA-K","Exact Mass":160.841494,"Molecular Formula":"Cl3Fe","Molecular Weight":162.2,"Monoisotopic Mass":160.841494,Charge:0,"Easy Name":"Iron (III) chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"About 316 °C"},"Color And Form":{Value:"Hexagonal red by transmitted light, green by reflected light; sometimes appears brownish-black; dark leaflets or plates."},Density:{Value:"2.90 at 25 °C"},"Melting Point":{Value:"304 °C"},Solubility:{Value:"In cold water: 74.4 g/100 cc at 0 °C; in hot water: 535.7 g/100 cc at 100 °C; in acetone: 63 g/100 cc at 18 °C; very sol in alc, ether, methanol."},Uses:{Value:"For ferric chloride (USEPA/OPP Pesticide Code: 034901) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cl3Fe1"},24385:{PUBCHEM:{CID:"24385","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloronickel","IUPAC Name CAS-like Style":"Dichloronickel","IUPAC Name Markup":"Dichloronickel","IUPAC Name Preferred":"Dichloronickel","IUPAC Name Systematic":"Bis(chloranyl)nickel","IUPAC Name Traditional":"Dichloronickel",InChI:"1S/2ClH.Ni/h2*1H;/q;;+2/p-2",InChIKey:"QMMRZOWCJAIUJA-UHFFFAOYSA-L","Exact Mass":127.873047,"Molecular Formula":"Cl2Ni","Molecular Weight":129.6,"Monoisotopic Mass":127.873047,Charge:0,"Easy Name":"Nickel (II) chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Sublimes @ 973 °C; deliquesces"},"Color And Form":{Value:"Yellow scales; ... golden yellow"},Density:{Value:"3.51"},"Melting Point":{Value:"1001 °C"},Odor:{Value:"None"},Solubility:{Value:"Soluble in ethanol and ammonium hydroxide, insoluble in ammonia"},Uses:{Value:"For nickel plating cast zinc; mfr sympathetic ink; absorbent for NH3 in gas masks"},"Vapor Pressure":{Value:"1 mm Hg at 671 °C (solid)"}},ReducedFormula:"Cl2Ni1"},24386:{PUBCHEM:{CID:"24386","Compound Complexity":29,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thionyl chloride","IUPAC Name CAS-like Style":"Thionyl dichloride","IUPAC Name Markup":"Thionyl dichloride","IUPAC Name Preferred":"Thionyl dichloride","IUPAC Name Systematic":"Thionyl dichloride","IUPAC Name Traditional":"Thionyl chloride",InChI:"1S/Cl2OS/c1-4(2)3",InChIKey:"FYSNRJHAOHDILO-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":117.9046912,"Molecular Formula":"Cl2OS","Molecular Weight":118.97,"Monoisotopic Mass":117.9046912,Charge:0,"Easy Name":"Thionyl chloride","Easy Category":"Inorganic matter"},HSDB:{"Boiling Point":{Value:"76 °C at 760 mm Hg"},"Color And Form":{Value:"Colorless to pale yellow or reddish liquid"},Density:{Value:"1.676 at 0 °C/4 °C; 1.655 at 10 °C/4 °C; 1.638 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"31.0 kJ/mol"},"Melting Point":{Value:"-104.5 °C"},Odor:{Value:"Suffocating odor"},"Refractive Index":{Value:"Index of refraction 1.517 at 20 °C/D"},Solubility:{Value:"Decomposes (fumes) in water"},Uses:{Value:"For making acyl chlorides, to replace /hydroxide or sulfhydryl/ groups with chlorine atoms; reacts with Grignard reagents to form the corresponding sulfoxides."},"Vapor Density":{Value:"4.1 (Air = 1)"},"Vapor Pressure":{Value:"119 mm Hg at 25 °C (est)"}},ReducedFormula:"Cl2O1S1"},24387:{PUBCHEM:{CID:"24387","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichlorophosphane","IUPAC Name CAS-like Style":"Trichlorophosphine","IUPAC Name Markup":"Trichlorophosphane","IUPAC Name Preferred":"Trichlorophosphane","IUPAC Name Systematic":"Tris(chloranyl)phosphane","IUPAC Name Traditional":"Trichlorophosphine",InChI:"1S/Cl3P/c1-4(2)3",InChIKey:"FAIAAWCVCHQXDN-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":135.88032,"Molecular Formula":"Cl3P","Molecular Weight":137.33,"Monoisotopic Mass":135.88032,Charge:0,"Easy Name":"Phosphorus trichloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"76.1 °C"},"Color And Form":{Value:"Clear colorless, fuming liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 285.5 °C"},Density:{Value:"1.574 at 21 °C"},"Heat Of Vaporization":{Value:"30.5 kJ/mol"},"Melting Point":{Value:"-93.6 °C"},Odor:{Value:"Pungent"},"Refractive Index":{Value:"Index of refraction: 1.5122 at 21 °C"},Solubility:{Value:"Reacts with water, ethanol; soluble in benzene, chloroform, ether"},Uses:{Value:"Making phosphorus oxychloride, int for organophosphorus pesticides, surfactants, phosphites (reactions with alcohols and phenols), gasoline additives, plasticizers, dyestuffs; chlorinating agent; catalyst; preparing rubber surfaces for electrodeposition of metal; ingredient of textile finishing agents."},"Vapor Density":{Value:"4.75 (air= 1)"},"Vapor Pressure":{Value:"120 mm Hg at 25 °C"},Viscosity:{Value:"0.65 cP at 0 °C; 0.438 cP at 50 °C"}},ReducedFormula:"Cl3P1"},24393:{PUBCHEM:{CID:"24393","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;sulfate","IUPAC Name CAS-like Style":"Iron(2+);sulfate","IUPAC Name Markup":"Iron(2+);sulfate","IUPAC Name Preferred":"Iron(2+);sulfate","IUPAC Name Systematic":"Iron(2+);sulfate","IUPAC Name Traditional":"Ferrous;sulfate",InChI:"1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"BAUYGSIQEAFULO-UHFFFAOYSA-L","Exact Mass":151.886665,"Molecular Formula":"FeO4S","Molecular Weight":151.91,"Monoisotopic Mass":151.886665,Charge:0,"Easy Name":"Iron (2+);sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White orthorhombic crystals, hygroscopic"},Density:{Value:"3.56 g/cu cm"},Solubility:{Value:"Soluble in water."},Uses:{Value:'In manufacture of iron, iron cmpd, other sulfates; in iron electroplating baths; in fertilizer; as food and feed supplement; in radiation dosimeters; as reducing agent in chemical processes; as wood preservative; as weed killer; in prevention of chlorosis in plants; in other pesticides; in writing ink; in process engraving and lithography; as dye for leather; in etching aluminum; in water treatment; in qualitative analysis ("brown ring" test for nitrates); as polymerization catalyst.'}},ReducedFormula:"Fe1O4S1"},24401:{PUBCHEM:{CID:"24401","Compound Complexity":95.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Permanganate","IUPAC Name CAS-like Style":"Permanganate","IUPAC Name Markup":"Permanganate","IUPAC Name Preferred":"Permanganate","IUPAC Name Systematic":"Permanganate","IUPAC Name Traditional":"Permanganate",InChI:"1S/Mn.4O/q;;;;-1",InChIKey:"NPDODHDPVPPRDJ-UHFFFAOYSA-N","Exact Mass":118.917702,"Molecular Formula":"MnO4-","Molecular Weight":118.936,"Monoisotopic Mass":118.917702,Charge:-1,"Easy Name":"Permanganate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1Mn1O4"},24402:{PUBCHEM:{CID:"24402","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;dihydrogen phosphate","IUPAC Name CAS-like Style":"Ammonium;dihydrogen phosphate","IUPAC Name Markup":"Azanium;dihydrogen phosphate","IUPAC Name Preferred":"Azanium;dihydrogen phosphate","IUPAC Name Systematic":"Azanium;dihydrogen phosphate","IUPAC Name Traditional":"Ammonium;dihydrogen phosphate",InChI:"1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)",InChIKey:"LFVGISIMTYGQHF-UHFFFAOYSA-N","Exact Mass":115.00344467,"Molecular Formula":"H6NO4P","Molecular Weight":115.03,"Monoisotopic Mass":115.00344467,Charge:0,"Easy Name":"Ammonium dihydrogen phosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, tetrahedral crystals"},Density:{Value:"1.80 g/cu cm"},"Melting Point":{Value:"190 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH of 0.2 Molar aq soln: 4.2"},"Refractive Index":{Value:"Index of refraction: 1.525; 1.479, both at 589 nm"},Solubility:{Value:"Slightly soluble in ethanol; insoluble in acetone"},Uses:{Value:"As baking powder with sodium bicarbonate; in fermentations (yeast cultures, etc.); fireproofing of paper, wood, fiberboard, etc."}},ReducedFormula:"H6N1O4P1"},24403:{PUBCHEM:{CID:"24403","Compound Complexity":124,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrasodium;phosphonato phosphate","IUPAC Name CAS-like Style":"Tetrasodium;phosphonato phosphate","IUPAC Name Markup":"Tetrasodium;phosphonato phosphate","IUPAC Name Preferred":"Tetrasodium;phosphonato phosphate","IUPAC Name Systematic":"Tetrasodium;phosphonato phosphate","IUPAC Name Traditional":"Tetrasodium;phosphonato phosphate",InChI:"1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4",InChIKey:"FQENQNTWSFEDLI-UHFFFAOYSA-J","Exact Mass":265.87100346,"Molecular Formula":"Na4O7P2","Molecular Weight":265.9,"Monoisotopic Mass":265.87100346,Charge:0,"Easy Name":"Tetrasodium pyrophosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"CRYSTALS"},Density:{Value:"2.534"},"Melting Point":{Value:"988 °C"},Odor:{Value:"Odorless."},pH:{Value:"10.2 (1% SOLN)"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.425"},Solubility:{Value:"IN WATER: 2.61 G/100 ML @ 0 °C; 6.7 G/100 ML @ 25 °C; 42.2 G/100 ML @ 100 °C"},Uses:{Value:'The active ingredient is no longer contained in any registered products ... "cancelled."'}},ReducedFormula:"Na4O7P2"},24404:{PUBCHEM:{CID:"24404","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Phosphane","IUPAC Name CAS-like Style":"Phosphine","IUPAC Name Markup":"Phosphane","IUPAC Name Preferred":"Phosphane","IUPAC Name Systematic":"Phosphane","IUPAC Name Traditional":"Phosphine",InChI:"1S/H3P/h1H3",InChIKey:"XYFCBTPGUUZFHI-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":33.997237095,"Molecular Formula":"H3P","Molecular Weight":33.998,"Monoisotopic Mass":33.997237095,Charge:0,"Easy Name":"Phosphine","Easy Category":"Hydride"},HSDB:{"Boiling Point":{Value:"280 °C"},"Color And Form":{Value:"Exists in three main allotropic forms: white, black, and red. The same liquid is obtained from all forms on melting."},"Critical Temperature And Pressure":{Value:"Critical temperature = 721 °C"},Density:{Value:"1.83 (alpha-form); 1.88 (beta form)"},"Heat Of Vaporization":{Value:"49.8X10+6 J/kg-mol"},"Melting Point":{Value:"44.1 °C"},"NFPA Hazard Classification":{Value:"4-4-2- ̵W̵"},Odor:{Value:"Garlic-like"},pH:{Value:"SOLN ARE NEUTRAL"},"Refractive Index":{Value:"White: Index of refraction = 2.144"},Solubility:{Value:"Black: Insoluble in organic solvents; White: Insoluble in water, slightly soluble in benzene, ethanol, and chloroform, soluble in carbon disulfide; Red: Insoluble in water and organic solvents."},Uses:{Value:'The active ingredient is no longer contained in any registered pesticide products ... "cancelled."'},"Vapor Density":{Value:"Red: 4.77; White: 4.42 (Air = 1)"},"Vapor Pressure":{Value:"0.026 mm Hg at 20 °C"},Viscosity:{Value:"1.69 cP at 50 °C (liquid)"}},ReducedFormula:"H3P1"},24408:{PUBCHEM:{CID:"24408","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Molecular bromine","IUPAC Name CAS-like Style":"Molecular bromine","IUPAC Name Markup":"Molecular bromine","IUPAC Name Preferred":"Molecular bromine","IUPAC Name Systematic":"Molecular bromine","IUPAC Name Traditional":"Molecular bromine",InChI:"1S/Br2/c1-2",InChIKey:"GDTBXPJZTBHREO-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":159.83463,"Molecular Formula":"Br2","Molecular Weight":159.81,"Monoisotopic Mass":157.83668,Charge:0,"Easy Name":"Bromine","Easy Category":"Diatomic molecule"},HSDB:{"Boiling Point":{Value:"58.8 °C"},"Color And Form":{Value:"Dark reddish-brown, volatile, mobile diatomic liquid; vaporizes at room temperature"},"Critical Temperature And Pressure":{Value:"Critical temperature: 315 °C; Critical pressure: 102 atm"},Density:{Value:"3.1023 at 25 °C/4 °C"},"Heat Of Vaporization":{Value:"187 J/g at 50 °C"},"Melting Point":{Value:"-7.2 °C"},Odor:{Value:"Suffocating odor"},"Refractive Index":{Value:"Index of refraction = 1.6083 at 20 °C; 1.6478 at 25 °C"},Solubility:{Value:"Solubility in water (25 °C): 0.2141 mol/L with formation of 0.00115 mol/L of HOBr"},Taste:{Value:"Taste threshold: 0.17-0.23 mg/L (as bromide) in water at pH 5-9"},Uses:{Value:"For bromine (USEPA/OPP Pesticide Code: 008701) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"7.139 g/L at 0 °C, 101.3 kPa"},"Vapor Pressure":{Value:"212 mm Hg at 25 °C"},Viscosity:{Value:"0.134 cSt at 20 °C; 0.288 cSt at 30 °C; 0.264 cSt at 40 °C; 0.245 at 50 °C"}},ReducedFormula:"Br2"},24409:{PUBCHEM:{CID:"24409","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tribromoalumane","IUPAC Name CAS-like Style":"Tribromoalumane","IUPAC Name Markup":"Tribromoalumane","IUPAC Name Preferred":"Tribromoalumane","IUPAC Name Systematic":"Tris(bromanyl)alumane","IUPAC Name Traditional":"Tribromoalumane",InChI:"1S/Al.3BrH/h;3*1H/q+3;;;/p-3",InChIKey:"PQLAYKMGZDUDLQ-UHFFFAOYSA-K","Exact Mass":265.7345,"Molecular Formula":"AlBr3","Molecular Weight":266.69,"Monoisotopic Mass":263.73655,Charge:0,"Easy Name":"Aluminium bromide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"255 °C"},"Color And Form":{Value:"White-yellowish monoclinic crystals"},Density:{Value:"3.2"},"Melting Point":{Value:"97.5 °C"},Solubility:{Value:"Sol in many organic solvents such as benzene, nitrobenzene, toluene, xylene, simple hydrocarbons"},Uses:{Value:"Acid catalyst in organic synthesis"},"Vapor Pressure":{Value:"1 mm Hg at 81.3 °C"}},ReducedFormula:"Al1Br3"},24410:{PUBCHEM:{CID:"24410","Compound Complexity":6.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxovanadium;trihydrochloride","IUPAC Name CAS-like Style":"Oxovanadium;trihydrochloride","IUPAC Name Markup":"Oxovanadium;trihydrochloride","IUPAC Name Preferred":"Oxovanadium;trihydrochloride","IUPAC Name Systematic":"Oxidanylidenevanadium;trihydrochloride","IUPAC Name Traditional":"Ketovanadium;trihydrochloride",InChI:"1S/3ClH.O.V/h3*1H;;",InChIKey:"JNKMSLLEOBTKQY-UHFFFAOYSA-N","Exact Mass":174.868905,"Molecular Formula":"Cl3H3OV","Molecular Weight":176.32,"Monoisotopic Mass":174.868905,Charge:0,"Easy Name":"Vanadium oxytrichloride","Easy Category":"Oxohalides"},HSDB:{"Boiling Point":{Value:"126 to 127 °C"},"Color And Form":{Value:"Lemon-yellow liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 636 deg K (measured); critical pressure: 3740 kPa (estimated)"},Density:{Value:"1.829 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of vanadium oxytrichloride stem from its irritant properties. Exposure to this sharp unpleasant-smelling, yellow liquid may occur from its use as a catalyst in olefin polymerization (ethylene-propylene rubber), organovanadium syntheses, or as a mordant in dyeing. Engineering controls should be employed to limit vanadium oxytrichloride exposure. In activities and situations where over-exposure may occur, wear a self-contained breathing apparatus, and protective clothing specifically recommended by the shipper or producer to prevent skin contact. If contact should occur, immediately flush exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash skin thoroughly with soap and water. Contaminated clothing and shoes should be removed and left at the work site for cleaning. While vanadium oxytrichloride does not ignite readily, it may burn with the formation of irritating fumes of hydrogen chloride. Also, vanadium oxytrichloride's heavier-than-air vapor may reach poisonous or flammable concentrations if allowed to accumulate in confined spaces. Because of its dangerous reactivity with water, fires involving vanadium oxytrichloride should be extinguished with dry chemical, CO2, or Halon. If water must be used (e.g., with large fires), flood the fire area from a distance, knocking down vapor with water spray, but taking care not to direct a stream of water on the material itself. Dike fire-fighting runoff water to prevent vanadium oxytrichloride from entering water sources and sewers. Vanadium oxytrichloride should be stored in tightly closed containers away from moisture, heat, sparks, flames, and combustible materials (e.g., oil, wood, or paper). Vanadium oxytrichloride may be shipped via air (cargo only), road, and water, in containers bearing the label, \"Corrosive.\" For spills of vanadium oxytrichloride, first evacuate the area for at least 50 feet in all directions. Large spills on land should be contained in excavated pits or other holding areas that are diked, if necessary to prevent runoff. Neutralize the spilled material with crushed limestone, soda ash, or lime. Ultimate disposal of vanadium oxytrichloride must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations."},"Heat Of Vaporization":{Value:"Enthalpy of vaporization = 36.78 kJ/mol at 127 °C"},"Melting Point":{Value:"-77 °C"},Odor:{Value:"Sharp unpleasant odor"},"Refractive Index":{Value:"Index of refraction: 1.63"},Solubility:{Value:"Reacts with water"},Uses:{Value:"Catalyst in olefin polymerization, (ethylene-propylene rubber); organovanadium synthesis."},"Vapor Density":{Value:"5.98 (Air = 1)"},"Vapor Pressure":{Value:"19.3 mm Hg at 25 °C"}},ReducedFormula:"Cl3H3O1V1"},24411:{PUBCHEM:{CID:"24411","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxovanadium","IUPAC Name CAS-like Style":"Oxovanadium","IUPAC Name Markup":"Oxovanadium","IUPAC Name Preferred":"Oxovanadium","IUPAC Name Systematic":"Oxidanylidenevanadium","IUPAC Name Traditional":"Ketovanadium",InChI:"1S/O.V",InChIKey:"IBYSTTGVDIFUAY-UHFFFAOYSA-N","Exact Mass":66.938871,"Molecular Formula":"OV","Molecular Weight":66.941,"Monoisotopic Mass":66.938871,Charge:0,"Easy Name":"Vanadium (II) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O1V1"},24412:{PUBCHEM:{CID:"24412","Compound Complexity":206,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Dipotassium;sulfonatooxy sulfate","IUPAC Name CAS-like Style":"Dipotassium;sulfonatooxy sulfate","IUPAC Name Markup":"Dipotassium;sulfonatooxy sulfate","IUPAC Name Preferred":"Dipotassium;sulfonatooxy sulfate","IUPAC Name Systematic":"Dipotassium;sulfonatooxy sulfate","IUPAC Name Traditional":"Dipotassium;sulfato sulfate",InChI:"1S/2K.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",InChIKey:"USHAGKDGDHPEEY-UHFFFAOYSA-L","Exact Mass":269.8308723,"Molecular Formula":"K2O8S2","Molecular Weight":270.33,"Monoisotopic Mass":269.8308723,Charge:0,"Easy Name":"Potassium persulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"COLORLESS, TRICLINIC CRYSTALS"},Density:{Value:"2.477"},Odor:{Value:"ODORLESS"},pH:{Value:"AQUEOUS SOLN IS ACIDIC"},"Refractive Index":{Value:"INDICES OF REFRACTION: 1.461, 1.467, 1.566"},Solubility:{Value:"1.75 G IN 100 CC OF WATER @ 0 °C"},Uses:{Value:"MEDICATION"}},ReducedFormula:"K2O8S2"},24413:{PUBCHEM:{CID:"24413","Compound Complexity":232,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Sulfooxy hydrogen sulfate","IUPAC Name CAS-like Style":"Sulfuric acid sulfooxy ester","IUPAC Name Markup":"Sulfooxy hydrogen sulfate","IUPAC Name Preferred":"Sulfooxy hydrogen sulfate","IUPAC Name Systematic":"Sulfooxy hydrogen sulfate","IUPAC Name Traditional":"Sulfuric acid sulfoxy ester",InChI:"1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)",InChIKey:"JRKICGRDRMAZLK-UHFFFAOYSA-N","Log P":-1.7,"Exact Mass":193.91910937,"Molecular Formula":"H2O8S2","Molecular Weight":194.15,"Monoisotopic Mass":193.91910937,Charge:0,"Easy Name":"Peroxydisulfuric acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O8S2"},24414:{PUBCHEM:{CID:"24414","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);sulfate","IUPAC Name CAS-like Style":"Barium(2+);sulfate","IUPAC Name Markup":"Barium(2+);sulfate","IUPAC Name Preferred":"Barium(2+);sulfate","IUPAC Name Systematic":"Barium(2+);sulfate","IUPAC Name Traditional":"Barium(2+);sulfate",InChI:"1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"TZCXTZWJZNENPQ-UHFFFAOYSA-L","Exact Mass":233.856977,"Molecular Formula":"BaO4S","Molecular Weight":233.39,"Monoisotopic Mass":233.856977,Charge:0,"Easy Name":"Barium sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Fine, heavy powder or polymorphous crystals"},Density:{Value:"4.49 g/cu cm"},"Melting Point":{Value:"1580 °C"},Odor:{Value:"Odorless"},pH:{Value:"5% suspension in water is neutral to litmus paper"},"Refractive Index":{Value:"Indices of refraction: 1.636 (alpha), 1.637 (beta), 1.648 (gamma)"},Solubility:{Value:"0.00031 g/100 g water at 20 °C; insol in ethanol"},Taste:{Value:"Tasteless"},Uses:{Value:"Manufacture of photographic papers, artificial ivory, cellophane; filler for rubber, linoleum, oil cloth, polymeric fibers and resins, paper, lithographic inks; as a water color pigment for colored paper, in wallpaper; as a size for modifying colors of other pigments, in heavy concrete for radiation shield."}},ReducedFormula:"Ba1O4S1"},24424:{PUBCHEM:{CID:"24424","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;sulfate","IUPAC Name CAS-like Style":"Zinc;sulfate","IUPAC Name Markup":"Zinc;sulfate","IUPAC Name Preferred":"Zinc;sulfate","IUPAC Name Systematic":"Zinc;sulfate","IUPAC Name Traditional":"Zinc;sulfate",InChI:"1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",InChIKey:"NWONKYPBYAMBJT-UHFFFAOYSA-L","Exact Mass":159.880871,"Molecular Formula":"O4SZn","Molecular Weight":161.4,"Monoisotopic Mass":159.880871,Charge:0,"Easy Name":"Zinc sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless, orthorhombic crystals"},Density:{Value:"3.8 g/cu cm"},"Melting Point":{Value:"680 °C (decomposes)"},Solubility:{Value:"57.7 g/100 g water at 25 °C"},Uses:{Value:"MEDICATION"}},ReducedFormula:"O4S1Zn1"},24425:{PUBCHEM:{CID:"24425","Compound Complexity":81.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(dioxo)chromium","IUPAC Name CAS-like Style":"Dihydroxy(dioxo)chromium","IUPAC Name Markup":"Dihydroxy(dioxo)chromium","IUPAC Name Preferred":"Dihydroxy(dioxo)chromium","IUPAC Name Systematic":"Bis(oxidanyl)-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Dihydroxy(diketo)chromium",InChI:"1S/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2",InChIKey:"KRVSOGSZCMJSLX-UHFFFAOYSA-L","Exact Mass":117.935814,"Molecular Formula":"CrH2O4","Molecular Weight":118.01,"Monoisotopic Mass":117.935814,Charge:0,"Easy Name":"Chromic acid","Easy Category":"Inorganic acids"},HSDB:{"Boiling Point":{Value:"Decomposes at about 250 °C /Anhydrous chromic acid, chromic trioxide/"},"Color And Form":{Value:"Dark purplish-red crystals /Anhydrous chromic acid/"},Density:{Value:"1.67-2.82 /Anhydrous chromic acid/"},"Melting Point":{Value:"196 °C /Anhydrous chromic acid/"},Solubility:{Value:"In water, 1.1X10+6 mg/L at 17 °C"},Uses:{Value:"For chromic acid (USEPA/OPP Pesticide Code: 021101) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cr1H2O4"},24434:{PUBCHEM:{CID:"24434","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;nitrate","IUPAC Name CAS-like Style":"Potassium;nitrate","IUPAC Name Markup":"Potassium;nitrate","IUPAC Name Preferred":"Potassium;nitrate","IUPAC Name Systematic":"Potassium;nitrate","IUPAC Name Traditional":"Potassium;nitrate",InChI:"1S/K.NO3/c;2-1(3)4/q+1;-1",InChIKey:"FGIUAXJPYTZDNR-UHFFFAOYSA-N","Exact Mass":100.95152435,"Molecular Formula":"KNO3","Molecular Weight":101.103,"Monoisotopic Mass":100.95152435,Charge:0,"Easy Name":"Potassium nitrate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"400 °C (decomp)"},"Color And Form":{Value:"Colorless, rhombic or trigonal crystals"},Density:{Value:"2.1 at 25 °C"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of potassium nitrate stem from its toxicologic properties and reactivity. Toxic by all routes (ie, inhalation, ingestion, or dermal contact), exposure to this odorless, colorless-to-white, crystalline substance may occur from its use as a fertilizer, in the manufacture of fireworks, matches, glass, ceramics, candle wicks, rocket propellants, or in the pickling of meats. Effects from exposure may include burns to the skin and eyes, diuresis, headache, nausea, or methemoglobinemia. Local exhaust ventilation close to the point of contaminant generation should be used to limit exposure. In activities and situations where over-exposure may occur, wear personal protective clothing and a self-contained breathing apparatus. If exposure should occur, immediately flush affected skin and eyes with running water for at least 15 minutes. Remove contaminated clothing and shoes at the site. While not flammable itself, potassium nitrate is a powerful oxidizer and if it comes into contact with easily oxidizable substances it may react rapidly enough to cause ignition, violent combustion or explosion. Also, potassium nitrate presents an explosion risk when shocked or heated and may produce poisonous gases in a fire. For fires involving potassium nitrate, extinguish with dry chemical, CO2, Halon, water spray, or fog. If water is used, apply from as far a distance as possible. If fire becomes uncontrollable, consider evacuation of one-half mile radius. Potassium nitrate should be stored in a cool, dry area, away from combustible (wood, paper, oil, etc.), organic, or other readily oxidizable materials. Potassium nitrate may be shipped via air, rail, road, and water, in containers bearing the label, "Oxidizer". For small spills of potassium nitrate, place material into a clean, dry covered container. For large spills of potassium nitrate solutions, first dike far ahead of the spill to prevent it from entering water sources and sewers, then take up with sand, earth, or other noncombustible absorbent material.'},"Melting Point":{Value:"337 °C"},Odor:{Value:"Odorless"},pH:{Value:"About 7"},"Refractive Index":{Value:"Index of refraction: 1.335 (Alpha), 1.5056 (Beta), 1.5064 (Gamma)"},Solubility:{Value:"Sol in water, glycerol; slightly sol in alcohol"},Taste:{Value:"Cooling, saline pungent taste"},Uses:{Value:"For potassium nitrate (USEPA/OPP Pesticide Code: 076103) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"K1N1O3"},24436:{PUBCHEM:{CID:"24436","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;sulfate","IUPAC Name CAS-like Style":"Disodium;sulfate","IUPAC Name Markup":"Disodium;sulfate","IUPAC Name Preferred":"Disodium;sulfate","IUPAC Name Systematic":"Disodium;sulfate","IUPAC Name Traditional":"Disodium;sulfate",InChI:"1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"PMZURENOXWZQFD-UHFFFAOYSA-L","Exact Mass":141.93126822,"Molecular Formula":"Na2O4S","Molecular Weight":142.04,"Monoisotopic Mass":141.93126822,Charge:0,"Easy Name":"Sodium sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Powder or orthorhombic bipyramidal crystals"},Density:{Value:"2.671"},"Melting Point":{Value:"884 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH of a 5% solution = 9.0 (typical value)"},"Refractive Index":{Value:"Index of refraction: 1.464"},Solubility:{Value:"In water, 28.1 g/100 g water at 25 °C"},Taste:{Value:"Bitter saline taste"},Uses:{Value:"For sodium sulfate (USEPA/OPP Pesticide Code: 005604) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},Viscosity:{Value:"2.48 (22% solution at 20 °C)"}},ReducedFormula:"Na2O4S1"},24437:{PUBCHEM:{CID:"24437","Compound Complexity":18.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;sulfite","IUPAC Name CAS-like Style":"Disodium;sulfite","IUPAC Name Markup":"Disodium;sulfite","IUPAC Name Preferred":"Disodium;sulfite","IUPAC Name Systematic":"Disodium;sulfite","IUPAC Name Traditional":"Disodium;sulfite",InChI:"1S/2Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",InChIKey:"GEHJYWRUCIMESM-UHFFFAOYSA-L","Exact Mass":125.9363536,"Molecular Formula":"Na2O3S","Molecular Weight":126.05,"Monoisotopic Mass":125.9363536,Charge:0,"Easy Name":"Sodium sulfite","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes"},"Color And Form":{Value:"Small crystals or powder"},Density:{Value:"2.63 g/cu cm"},"Melting Point":{Value:"911 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH about 9"},"Refractive Index":{Value:"Index of refraction: 1.565 (powder), 1.515 (prism)"},Solubility:{Value:"In water, 30.7 g/100 g water at 25 °C"},Taste:{Value:"Saline, sulfurous taste"},Uses:{Value:"For sodium sulfite (USEPA/OPP Pesticide Code: 078203) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Na2O3S1"},24439:{PUBCHEM:{CID:"24439","Compound Complexity":36.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trimagnesium;diphosphate","IUPAC Name CAS-like Style":"Trimagnesium;diphosphate","IUPAC Name Markup":"Trimagnesium;diphosphate","IUPAC Name Preferred":"Trimagnesium;diphosphate","IUPAC Name Systematic":"Trimagnesium;diphosphate","IUPAC Name Traditional":"Trimagnesium;diphosphate",InChI:"1S/3Mg.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",InChIKey:"GVALZJMUIHGIMD-UHFFFAOYSA-H","Exact Mass":261.861966,"Molecular Formula":"Mg3O8P2","Molecular Weight":262.86,"Monoisotopic Mass":261.861966,Charge:0,"Easy Name":"Magnesium phosphate (3:2)","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"RHOMBIC PLATES"},"Melting Point":{Value:"1,184 °C"},Odor:{Value:"odorless"},Solubility:{Value:"INSOL IN COLD OR HOT WATER; INSOL IN LIQUID AMMONIA; SOL IN AMMONIUM SALT SOLN"},Taste:{Value:"tasteless"},Uses:{Value:"PLANT FOOD"}},ReducedFormula:"Mg3O8P2"},24441:{PUBCHEM:{CID:"24441","Compound Complexity":46.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;hydrogen phosphate","IUPAC Name CAS-like Style":"Calcium;hydrogen phosphate","IUPAC Name Markup":"Calcium;hydrogen phosphate","IUPAC Name Preferred":"Calcium;hydrogen phosphate","IUPAC Name Systematic":"Calcium;hydrogen phosphate","IUPAC Name Traditional":"Calcium;hydrogen phosphate",InChI:"1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2",InChIKey:"FUFJGUQYACFECW-UHFFFAOYSA-L","Exact Mass":135.9238364,"Molecular Formula":"CaHO4P","Molecular Weight":136.06,"Monoisotopic Mass":135.9238364,Charge:0,"Easy Name":"Dicalcium phosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Triclinic crystals"},Density:{Value:"2.89"},Odor:{Value:"Odorless"},Solubility:{Value:"Practically insol in water, alc"},Taste:{Value:"Tasteless"},Uses:{Value:"Control acidity in powdered drink mixes, ingredient in effervescent tablets, as a plastics stabilizer, and in ceramics. Its single largest application is as a leavening agent in bread, cake mixes, and self-rising flour."}},ReducedFormula:"Ca1H1O4P1"},24445:{PUBCHEM:{CID:"24445","Compound Complexity":46.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Bromic acid","IUPAC Name CAS-like Style":"Bromic acid","IUPAC Name Markup":"Bromic acid","IUPAC Name Preferred":"Bromic acid","IUPAC Name Systematic":"Bromic acid","IUPAC Name Traditional":"Bromic acid",InChI:"1S/BrHO3/c2-1(3)4/h(H,2,3,4)",InChIKey:"SXDBWCPKPHAZSM-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":127.91091,"Molecular Formula":"BrHO3","Molecular Weight":128.91,"Monoisotopic Mass":127.91091,Charge:0,"Easy Name":"Bromic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"Br1H1O3"},24450:{PUBCHEM:{CID:"24450","Compound Complexity":46.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;hydrogen phosphate","IUPAC Name CAS-like Style":"Dipotassium;hydrogen phosphate","IUPAC Name Markup":"Dipotassium;hydrogen phosphate","IUPAC Name Preferred":"Dipotassium;hydrogen phosphate","IUPAC Name Systematic":"Dipotassium;hydrogen phosphate","IUPAC Name Traditional":"Dipotassium;hydrogen phosphate",InChI:"1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",InChIKey:"ZPWVASYFFYYZEW-UHFFFAOYSA-L","Exact Mass":173.88865848,"Molecular Formula":"HK2O4P","Molecular Weight":174.176,"Monoisotopic Mass":173.88865848,Charge:0,"Easy Name":"Dipotassium phosphate","Easy Category":"Antioxidant"},HSDB:{"Color And Form":{Value:"White crystals"},"Melting Point":{Value:"Decomp"},pH:{Value:"PH= 8.8, DETERMINED IN A 1% SOLN"},Solubility:{Value:"Very sol in water; 100 g dissolves rapidly & completely in 67 g cold water"},Uses:{Value:"Buffering agent in anti-freeze; nutrient in the culturing of antibiotics"}},ReducedFormula:"H1K2O4P1"},24451:{PUBCHEM:{CID:"24451","Compound Complexity":143,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate","IUPAC Name CAS-like Style":"Disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate","IUPAC Name Markup":"Disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate","IUPAC Name Preferred":"Disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate","IUPAC Name Systematic":"Disodium;[oxidanidyl(oxidanyl)phosphoryl] hydrogen phosphate","IUPAC Name Traditional":"Disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate",InChI:"1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2",InChIKey:"GYQBBRRVRKFJRG-UHFFFAOYSA-L","Exact Mass":221.90711496,"Molecular Formula":"H2Na2O7P2","Molecular Weight":221.94,"Monoisotopic Mass":221.90711496,Charge:0,"Easy Name":"Disodium pyrophosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystalline powder"},Solubility:{Value:"Sol in water"},Uses:{Value:"FOOD ACIDULANT"}},ReducedFormula:"H2Na2O7P2"},24452:{PUBCHEM:{CID:"24452","Compound Complexity":7.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;chlorite","IUPAC Name CAS-like Style":"Sodium;chlorite","IUPAC Name Markup":"Sodium;chlorite","IUPAC Name Preferred":"Sodium;chlorite","IUPAC Name Systematic":"Sodium;chlorite","IUPAC Name Traditional":"Sodium;chlorite",InChI:"1S/ClHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",InChIKey:"UKLNMMHNWFDKNT-UHFFFAOYSA-M","Exact Mass":89.9484512,"Molecular Formula":"ClNaO2","Molecular Weight":90.44,"Monoisotopic Mass":89.9484512,Charge:0,"Easy Name":"Sodium chlorite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1Na1O2"},24453:{PUBCHEM:{CID:"24453","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Chlorous acid","IUPAC Name CAS-like Style":"Chlorous acid","IUPAC Name Markup":"Chlorous acid","IUPAC Name Preferred":"Chlorous acid","IUPAC Name Systematic":"Chlorous acid","IUPAC Name Traditional":"Chlorous acid",InChI:"1S/ClHO2/c2-1-3/h(H,2,3)",InChIKey:"QBWCMBCROVPCKQ-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":67.966507,"Molecular Formula":"ClHO2","Molecular Weight":68.46,"Monoisotopic Mass":67.966507,Charge:0,"Easy Name":"Chlorous acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"Cl1H1O2"},24454:{PUBCHEM:{CID:"24454","Compound Complexity":49.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dihydrogen phosphate","IUPAC Name CAS-like Style":"Calcium;dihydrogen phosphate","IUPAC Name Markup":"Calcium;dihydrogen phosphate","IUPAC Name Preferred":"Calcium;dihydrogen phosphate","IUPAC Name Systematic":"Calcium;dihydrogen phosphate","IUPAC Name Traditional":"Calcium;dihydrogen phosphate",InChI:"1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",InChIKey:"YYRMJZQKEFZXMX-UHFFFAOYSA-L","Exact Mass":233.9007319,"Molecular Formula":"CaH4O8P2","Molecular Weight":234.05,"Monoisotopic Mass":233.9007319,Charge:0,"Easy Name":"Monocalcium phosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"SHINING TRICLINIC PLATES, CRYSTALLINE POWDER OR GRANULES"},Density:{Value:"2.220 @ 18 °C/4 °C"},Solubility:{Value:"SOL IN DIL HYDROCHLORIC ACID; MODERATELY SOL IN WATER; SOL IN NITRIC ACID OR ACETIC ACID"},Taste:{Value:"Strong acid taste"},Uses:{Value:"IN FERTILIZERS; ACIDULANT IN BAKING POWDER & WHEAT FLOURS; IN ENAMELING; MINERAL SUPPLEMENT FOR FOODS & FEEDS"}},ReducedFormula:"Ca1H4O8P2"},24455:{PUBCHEM:{CID:"24455","Compound Complexity":241,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Pentasodium;[oxido(phosphonatooxy)phosphoryl] phosphate","IUPAC Name CAS-like Style":"Pentasodium;[oxido(phosphonatooxy)phosphoryl] phosphate","IUPAC Name Markup":"Pentasodium;[oxido(phosphonatooxy)phosphoryl] phosphate","IUPAC Name Preferred":"Pentasodium;[oxido(phosphonatooxy)phosphoryl] phosphate","IUPAC Name Systematic":"Pentasodium;[oxidanidyl(phosphonatooxy)phosphoryl] phosphate","IUPAC Name Traditional":"Pentasodium;[oxido(phosphato)phosphoryl] phosphate",InChI:"1S/5Na.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5",InChIKey:"HWGNBUXHKFFFIH-UHFFFAOYSA-I","Exact Mass":367.8192786,"Molecular Formula":"Na5O10P3","Molecular Weight":367.86,"Monoisotopic Mass":367.8192786,Charge:0,"Easy Name":"Sodium triphosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White powder"},"Melting Point":{Value:"622 °C"},pH:{Value:"1% soln @ 25 °C = 9.7-9.8"},Solubility:{Value:"Sol in water (g/100 ml) at 25 °C: 20; at 100 °C: 86.5"},Uses:{Value:'The active ingredient is no longer contained in any registered pesticide products ... "cancelled."'}},ReducedFormula:"Na5O10P3"},24456:{PUBCHEM:{CID:"24456","Compound Complexity":36.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tricalcium;diphosphate","IUPAC Name CAS-like Style":"Tricalcium;diphosphate","IUPAC Name Markup":"Tricalcium;diphosphate","IUPAC Name Preferred":"Tricalcium;diphosphate","IUPAC Name Systematic":"Tricalcium;diphosphate","IUPAC Name Traditional":"Tricalcium;diphosphate",InChI:"1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",InChIKey:"QORWJWZARLRLPR-UHFFFAOYSA-H","Exact Mass":309.7946135,"Molecular Formula":"Ca3O8P2","Molecular Weight":310.2,"Monoisotopic Mass":309.7946135,Charge:0,"Easy Name":"Calcium phosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White amorphous powder"},Density:{Value:"3.14 g/cu cm"},"Melting Point":{Value:"1670 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.629, 1.626"},Solubility:{Value:"Practically insol in alcohol and acetic acid; sol in dilute hydrochloric acid, nitric acid"},Taste:{Value:"Tasteless"},Uses:{Value:"Manuf of fertilizers, H3PO4 and P compds; manuf milk-glass, polishing and dental powders, porcelains, pottery; enameling; clarifying sugar syrups; in animal feeds; as noncaking agent; in the textile industry."}},ReducedFormula:"Ca3O8P2"},24457:{PUBCHEM:{CID:"24457","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cerium(3+);trifluoride","IUPAC Name CAS-like Style":"Cerium(3+);trifluoride","IUPAC Name Markup":"Cerium(3+);trifluoride","IUPAC Name Preferred":"Cerium(3+);trifluoride","IUPAC Name Systematic":"Cerium(3+);trifluoride","IUPAC Name Traditional":"Cerium(3+);trifluoride",InChI:"1S/Ce.3FH/h;3*1H/q+3;;;/p-3",InChIKey:"QCCDYNYSHILRDG-UHFFFAOYSA-K","Exact Mass":196.90066,"Molecular Formula":"CeF3","Molecular Weight":197.11,"Monoisotopic Mass":196.90066,Charge:0,"Easy Name":"Cerium (III) fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ce1F3"},24458:{PUBCHEM:{CID:"24458","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloroiron","IUPAC Name CAS-like Style":"Dichloroiron","IUPAC Name Markup":"Dichloroiron","IUPAC Name Preferred":"Dichloroiron","IUPAC Name Systematic":"Bis(chloranyl)iron","IUPAC Name Traditional":"Dichloroiron",InChI:"1S/2ClH.Fe/h2*1H;/q;;+2/p-2",InChIKey:"NMCUIPGRVMDVDB-UHFFFAOYSA-L","Exact Mass":125.872641,"Molecular Formula":"Cl2Fe","Molecular Weight":126.75,"Monoisotopic Mass":125.872641,Charge:0,"Easy Name":"Iron (II) chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1023 °C"},"Color And Form":{Value:"WHITE RHOMBOHEDRAL CRYSTALS; MAY SOMETIMES HAVE A GREEN TINT."},Density:{Value:"SP GR: 3.16 @ 25 °C/4 °C"},"Melting Point":{Value:"674 °C"},Solubility:{Value:"FREELY SOL IN WATER, ALCOHOL ACETONE; SLIGHTLY SOL IN BENZENE; PRACTICALLY INSOL IN ETHER."},Uses:{Value:"IN METALLURGY; REDUCING AGENT; IN PHARMACEUTICAL PREPNS; MORDANT IN DYEING."},"Vapor Pressure":{Value:"10 MM HG @ 700 °C"}},ReducedFormula:"Cl2Fe1"},24461:{PUBCHEM:{CID:"24461","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxido(dioxo)chromium","IUPAC Name CAS-like Style":"Dioxido(dioxo)chromium","IUPAC Name Markup":"Dioxido(dioxo)chromium","IUPAC Name Preferred":"Dioxido(dioxo)chromium","IUPAC Name Systematic":"Bis(oxidanidyl)-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Diketo(dioxido)chromium",InChI:"1S/Cr.4O/q;;;2*-1",InChIKey:"ZCDOYSPFYFSLEW-UHFFFAOYSA-N","Exact Mass":115.920163,"Molecular Formula":"CrO4-2","Molecular Weight":115.99,"Monoisotopic Mass":115.920163,Charge:-2,"Easy Name":"Chromate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2Cr1O4"},24462:{PUBCHEM:{CID:"24462","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper;sulfate","IUPAC Name CAS-like Style":"Copper;sulfate","IUPAC Name Markup":"Copper;sulfate","IUPAC Name Preferred":"Copper;sulfate","IUPAC Name Systematic":"Copper;sulfate","IUPAC Name Traditional":"Cupric;sulfate",InChI:"1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"ARUVKPQLZAKDPS-UHFFFAOYSA-L","Exact Mass":158.881327,"Molecular Formula":"CuO4S","Molecular Weight":159.61,"Monoisotopic Mass":158.881327,Charge:0,"Easy Name":"Copper (II) sulfate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"650 °C (decomp to cupric oxide)"},"Color And Form":{Value:"Grayish-white to greenish-white rhombic crystals or amorphous powder /SRP: somewhat wet/"},Density:{Value:"3.6"},"Melting Point":{Value:"590 °C decomp"},Odor:{Value:"Pleasant odor"},"Refractive Index":{Value:"INDICES OF REFRACTION: 1.733, 1.724, 1.739"},Solubility:{Value:"Soluble in methanol (1.1 g/100 ml), but insoluble in ethanol; it readily dissolves in aqueous ammonia and excess alkali metal cyanides, with the formation of complexes"},Uses:{Value:"The medicinal use of copper as an emetic was discontinued because of its toxicity."}},ReducedFormula:"Cu1O4S1"},24470:{PUBCHEM:{CID:"24470","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;nitrate","IUPAC Name CAS-like Style":"Silver;nitrate","IUPAC Name Markup":"Silver;nitrate","IUPAC Name Preferred":"Silver;nitrate","IUPAC Name Systematic":"Silver;nitrate","IUPAC Name Traditional":"Silver;nitrate",InChI:"1S/Ag.NO3/c;2-1(3)4/q+1;-1",InChIKey:"SQGYOTSLMSWVJD-UHFFFAOYSA-N","Exact Mass":168.89291,"Molecular Formula":"AgNO3","Molecular Weight":169.873,"Monoisotopic Mass":168.89291,Charge:0,"Easy Name":"Silver nitrate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"440 °C (decomposes)"},"Color And Form":{Value:"Colorless rhombic cyrstals"},Density:{Value:"5.35"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of silver nitrate stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this odorless, colorless-to-white, crystalline substance may occur from its use in silver-plating, in photography, in the manufacture of inks, paints, pigments, and dyes, as an analytical reagent and as an antiseptic. Effects from exposure may include contact burns to the skin, eyes, and mucous membranes, argyria (a blue-gray discoloration of skin), mild chronic bronchitis, and death from large ingested doses. The OSHA PEL is set at a TWA of 0.01 mg/cu m. Safe levels should be maintained by the use of engineering controls (eg, local exhaust ventilation, or process enclosure). In activities where over-exposure may occur, workers should wear impervious clothing, gloves, face protection, and a self-contained breathing apparatus. Such clothing and equipment should be removed before leaving the worksite. Skin that becomes contaminated with silver nitrate should be promptly washed. Eating and smoking should be prohibited in silver nitrate work areas. Silver nitrate is not expected to burn. However, if large quantities are involved in a fire, an explosion may result. Also, silver nitrate may form explosive compounds with sulfur, alcohols, and ammonia. If silver nitrate is involved in a fire, flood with water from as far away as possible (do not use dry chemical, CO2, or Halon). Silver nitrate should be stored in cool, dark areas, away from sources of physical damage, and ignition. Also, because it is an oxidizer, silver nitrate should be stored away from combustibles (eg, wood, paper, oil, fuels), and other substances with which it is incompatible (eg, halogenated acids and their salts, alkalies, antimony salts, arsenites, bromides, carbonates, chlorides, iodides, phosphates, and creosote). Silver nitrate may be shipped via air, rail, road, and water, in appropriate containers (substance may attack some forms of plastics, rubber, and coatings), bearing the label "Oxidizer". If silver nitrate spills, carefully shovel the material into a clean, dry covered container for later disposal or reclamation (solutions are first absorbed in vermiculite, dry sand, or earth). Large liquid spills on land first should be diked to prevent runoff from entering water sources or sewers, and then, if possible, contained in excavated pits or other holding areas that have been sealed with an impermeable flexible membrane liner. Solids should be covered with a plastic sheet. For spills of silver nitrate in bodies of water, apply sodium sulfide solution, then neutralize with agricultural lime, crushed limestone, or sodium bicarbonate, and use mechanical dredges to removed immobilized masses. Before implementing land disposal of silver nitrate waste, consult with environmental regulatory agencies for guidance.'},"Melting Point":{Value:"212 °C"},Odor:{Value:"Odorless"},pH:{Value:"Aqueous and alcoholic soln are neutral to litmus; pH about 6"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.729, 1.744, 1.788"},Solubility:{Value:"122 G SOL IN 100 CC WATER @ 0 °C"},Taste:{Value:"Bitter, metallic taste"},Uses:{Value:"For Silver nitrate (USEPA/OPP Pesticide Code: 072503) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Ag1N1O3"},24477:{PUBCHEM:{CID:"24477","Compound Complexity":82.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;dioxido-oxo-thioxo-lambda6-sulfane","IUPAC Name CAS-like Style":"Disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane","IUPAC Name Markup":"Disodium;dioxido-oxo-sulfanylidene-λ6-sulfane","IUPAC Name Preferred":"Disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane","IUPAC Name Systematic":"Disodium;bis(oxidanidyl)-oxidanylidene-sulfanylidene-lambda6-sulfane","IUPAC Name Traditional":"Disodium;keto-dioxido-thioxo-lambda6-sulfane",InChI:"1S/2Na.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"AKHNMLFCWUSKQB-UHFFFAOYSA-L","Exact Mass":157.90842477,"Molecular Formula":"Na2O3S2","Molecular Weight":158.11,"Monoisotopic Mass":157.90842477,Charge:0,"Easy Name":"Sodium thiosulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"POWDER"},Density:{Value:"1.667"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.489 ALPHA, 1.508 BETA, 1.536 GAMMA; OPTIC SIGN +"},Solubility:{Value:"PRACTICALLY INSOL IN ALCOHOL"},Uses:{Value:'TO REMOVE CHLORINE FROM SOLN; AS "ANTICHLOR" IN BLEACHING OF PAPER PULP; FIXER IN PHOTOGRAPHY; MORDANT IN DYEING & PRINTING TEXTILES; REDUCER IN CHROME DYEING, MFR LEATHER; EXTRACTING OF SILVER FROM ORES; BLEACHING BONE, STRAW, IVORY; REAGENT IN ANALYTICAL CHEMISTRY; ANTIDOTE (CYANIDE POISONING)'}},ReducedFormula:"Na2O3S2"},24478:{PUBCHEM:{CID:"24478","Compound Complexity":98.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfurothioic O-acid","IUPAC Name CAS-like Style":"Sulfurothioic O-acid","IUPAC Name Markup":"Sulfurothioic O-acid","IUPAC Name Preferred":"Sulfurothioic O-acid","IUPAC Name Systematic":"Sulfurothioic O-acid","IUPAC Name Traditional":"Sulfurothioic O-acid",InChI:"1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)",InChIKey:"DHCDFWKWKRSZHF-UHFFFAOYSA-N","Log P":.3,"Exact Mass":113.94453627,"Molecular Formula":"H2O3S2","Molecular Weight":114.15,"Monoisotopic Mass":113.94453627,Charge:0,"Easy Name":"Thiosulfuric acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O3S2"},24479:{PUBCHEM:{CID:"24479","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorotin","IUPAC Name CAS-like Style":"Dichlorotin","IUPAC Name Markup":"Dichlorotin","IUPAC Name Preferred":"Dichlorotin","IUPAC Name Systematic":"Bis(chloranyl)tin","IUPAC Name Traditional":"Dichlorotin",InChI:"1S/2ClH.Sn/h2*1H;/q;;+2/p-2",InChIKey:"AXZWODMDQAVCJE-UHFFFAOYSA-L","Exact Mass":189.839907,"Molecular Formula":"Cl2Sn","Molecular Weight":189.61,"Monoisotopic Mass":189.839907,Charge:0,"Easy Name":"Tin (II) chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"623 °C"},"Color And Form":{Value:"White, ortho rhombic crystals"},Density:{Value:"3.90 g/cu cm"},"Melting Point":{Value:"246 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Sol in methyl acetate, isobutyl alcohol; practically insol in petroleum naphtha, xylene"},Uses:{Value:"Powerful reducing agent, particularly in manufacture of dyes; in tanning by galvanic methods; in liquor finishing of wire; in sensitizing of glass before metallizing; as soldering flux; as mordant in dyeing with cochineal; in manufacture of color pigments, pharmaceuticals, sensitized paper, lubricating oil additives; as tanning agent; in removing ink stains; in yeast revivers; reagent in analytical chemistry; as catalyst in organic reactions"},"Vapor Pressure":{Value:"3.3 kPa @ 427.9 °C"}},ReducedFormula:"Cl2Sn1"},24480:{PUBCHEM:{CID:"24480","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloromanganese","IUPAC Name CAS-like Style":"Dichloromanganese","IUPAC Name Markup":"Dichloromanganese","IUPAC Name Preferred":"Dichloromanganese","IUPAC Name Systematic":"Bis(chloranyl)manganese","IUPAC Name Traditional":"Dichloromanganese",InChI:"1S/2ClH.Mn/h2*1H;/q;;+2/p-2",InChIKey:"GLFNIEUTAYBVOC-UHFFFAOYSA-L","Exact Mass":124.875749,"Molecular Formula":"Cl2Mn","Molecular Weight":125.84,"Monoisotopic Mass":124.875749,Charge:0,"Easy Name":"Manganese (II) chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1190 °C"},"Color And Form":{Value:"Pink trigonal crystals"},Density:{Value:"2.977 @ 25 °C/4 °C"},"Melting Point":{Value:"650 °C"},Solubility:{Value:"Soluble in pyridine, ethanol; insoluble in ether."},Uses:{Value:"In dyeing (manganese bister); disinfecting; purifying natural gas; linseed oil drier; in electric batteries"}},ReducedFormula:"Cl2Mn1"},24485:{PUBCHEM:{CID:"24485","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diiodomercury","IUPAC Name CAS-like Style":"Diiodomercury","IUPAC Name Markup":"Diiodomercury","IUPAC Name Preferred":"Diiodomercury","IUPAC Name Systematic":"Bis(iodanyl)mercury","IUPAC Name Traditional":"Diiodomercury",InChI:"1S/Hg.2HI/h;2*1H/q+2;;/p-2",InChIKey:"YFDLHELOZYVNJE-UHFFFAOYSA-L","Exact Mass":455.77959,"Molecular Formula":"HgI2","Molecular Weight":454.4,"Monoisotopic Mass":455.77959,Charge:0,"Easy Name":"Mercury (II) iodide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"350 °C"},"Color And Form":{Value:"Scarlet-red, heavy, powder"},Density:{Value:"6.28"},"Melting Point":{Value:"259 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"INDICES OF REFRACTION: 2.455 (EPSILON); 2.748 (OMEGA)"},Solubility:{Value:"0.006 g/100 g water @ 25 °C"},Taste:{Value:"Almost tasteless"},Uses:{Value:"For Mercuric Iodide (USEPA/OPP PC Code: 052003) there are 0 labels match. /SRP: Not registered for current use in the U.S./"},"Vapor Pressure":{Value:"100 mm Hg at 261.8 °C; 400 mm Hg at 324.2 °C"}},ReducedFormula:"Hg1I2"},24488:{PUBCHEM:{CID:"24488","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;dioxido(dioxo)chromium","IUPAC Name CAS-like Style":"Disodium;dioxido(dioxo)chromium","IUPAC Name Markup":"Disodium;dioxido(dioxo)chromium","IUPAC Name Preferred":"Disodium;dioxido(dioxo)chromium","IUPAC Name Systematic":"Disodium;bis(oxidanidyl)-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Disodium;diketo(dioxido)chromium",InChI:"1S/Cr.2Na.4O/q;2*+1;;;2*-1",InChIKey:"PXLIDIMHPNPGMH-UHFFFAOYSA-N","Exact Mass":161.899702,"Molecular Formula":"CrNa2O4","Molecular Weight":161.97,"Monoisotopic Mass":161.899702,Charge:0,"Easy Name":"Sodium chromate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Yellow orthorhombic crystals"},Density:{Value:"2.723 at 25 °C/4 °C"},"Melting Point":{Value:"794 °C"},Odor:{Value:"Odorless"},pH:{Value:"Aqueous solution is alkaline"},Solubility:{Value:"87.6 g/100 g water at 25 °C"},Taste:{Value:"Bitter metallic taste"},Uses:{Value:"For sodium chromate (USEPA/OPP Pesticide Code: 068303) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cr1Na2O4"},24489:{PUBCHEM:{CID:"24489","Compound Complexity":60.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/2Na.H2O4S2/c;;1-5(2)6(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2",InChIKey:"JVBXVOWTABLYPX-UHFFFAOYSA-L","Exact Mass":173.90333939,"Molecular Formula":"Na2O4S2","Molecular Weight":174.11,"Monoisotopic Mass":173.90333939,Charge:0,"Easy Name":"Sodium dithionite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White or grayish-white crystalline powder"},Density:{Value:"2.38 g/cu cm"},"Melting Point":{Value:"52 °C (decomposes)"},"NFPA Hazard Classification":{Value:"2-1-2- ̵W̵"},Odor:{Value:"Faint sulfurous"},Solubility:{Value:"Slightly sol in alcohol; very soluble in water"},Uses:{Value:"Reducing agent to strip certain dyes from fabrics and in vat dyeing; bleaching agent for ground wood pulp, soap, straws, sugar reducing agent to strip certain dyes from fabrics and in vat dyeing; bleaching agent for ground wood pulp, soap, straws, sugar"}},ReducedFormula:"Na2O4S2"},24492:{PUBCHEM:{CID:"24492","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxoborinic acid","IUPAC Name CAS-like Style":"Oxoborinic acid","IUPAC Name Markup":"Oxoborinic acid","IUPAC Name Preferred":"Oxoborinic acid","IUPAC Name Systematic":"Oxidanylideneborinic acid","IUPAC Name Traditional":"Ketoborinic acid",InChI:"1S/BHO2/c2-1-3/h2H",InChIKey:"VGTPKLINSHNZRD-UHFFFAOYSA-N","Exact Mass":44.0069594,"Molecular Formula":"BHO2","Molecular Weight":43.82,"Monoisotopic Mass":44.0069594,Charge:0,"Easy Name":"Metaboric acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"B1H1O2"},24497:{PUBCHEM:{CID:"24497","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;sulfate","IUPAC Name CAS-like Style":"Calcium;sulfate","IUPAC Name Markup":"Calcium;sulfate","IUPAC Name Preferred":"Calcium;sulfate","IUPAC Name Systematic":"Calcium;sulfate","IUPAC Name Traditional":"Calcium;sulfate",InChI:"1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"OSGAYBCDTDRGGQ-UHFFFAOYSA-L","Exact Mass":135.9143205,"Molecular Formula":"CaO4S","Molecular Weight":136.14,"Monoisotopic Mass":135.9143205,Charge:0,"Easy Name":"Calcium sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"NATURAL ANHYDRITE CRYSTALS ARE COLORLESS, RHOMBIC OR MONOCLINIC"},Density:{Value:"2.960"},"Melting Point":{Value:"1450 °C"},Odor:{Value:"PURE ANHYDROUS CALCIUM SULFATE IS ODORLESS"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.569, 1.575, 1.613"},Solubility:{Value:"PURE ANHYDROUS SLIGHTLY SOL IN WATER"},Uses:{Value:'The active ingredient is no longer contained in any registered pesticide products ... "cancelled."'}},ReducedFormula:"Ca1O4S1"},24500:{PUBCHEM:{CID:"24500","Compound Complexity":46.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;hydrogen arsorate","IUPAC Name CAS-like Style":"Disodium;hydrogen arsorate","IUPAC Name Markup":"Disodium;hydrogen arsorate","IUPAC Name Preferred":"Disodium;hydrogen arsorate","IUPAC Name Systematic":"Disodium;hydrogen arsorate","IUPAC Name Traditional":"Disodium;hydrogen arsorate",InChI:"1S/AsH3O4.2Na/c2-1(3,4)5;;/h(H3,2,3,4,5);;/q;2*+1/p-2",InChIKey:"IHZDYHDJAVUIBH-UHFFFAOYSA-L","Exact Mass":185.888617,"Molecular Formula":"AsHNa2O4","Molecular Weight":185.907,"Monoisotopic Mass":185.888617,Charge:0,"Easy Name":"Disodium hydrogen arsenate","Easy Category":"Acid salt"},HSDB:{"Color And Form":{Value:"Powder"},Density:{Value:"1.87"},"Melting Point":{Value:"57 °C when rapidly heated"},Solubility:{Value:"Very sol in water; slightly sol in alcohol"},Taste:{Value:"Mild alkaline taste"},Uses:{Value:"All registered products for nonwood use that contain the inorganic arsenicals ... sodium arsenate ... are cancelled and applications denied. References: 53 FR 5524 (2/24/88); 53 FR 24787 (6/30/88)."}},ReducedFormula:"As1H1Na2O4"},24502:{PUBCHEM:{CID:"24502","Compound Complexity":194,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;oxido-(oxido(dioxo)chromio)oxy-dioxo-chromium","IUPAC Name CAS-like Style":"Dipotassium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Markup":"Dipotassium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Preferred":"Dipotassium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Systematic":"Dipotassium;oxidanidyl-(oxidanidyl-bis(oxidanylidene)chromio)oxy-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Dipotassium;(diketo(oxido)chromio)oxy-diketo-oxido-chromium",InChI:"1S/2Cr.2K.7O/q;;2*+1;;;;;;2*-1",InChIKey:"KMUONIBRACKNSN-UHFFFAOYSA-N","Exact Mass":293.772825,"Molecular Formula":"Cr2K2O7","Molecular Weight":294.18,"Monoisotopic Mass":293.772825,Charge:0,"Easy Name":"Potassium dichromate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes at about 500 °C"},"Color And Form":{Value:"Orange-red triclinic crystals"},Density:{Value:"2.676 at 25 °C/4 °C"},"Melting Point":{Value:"398 °C"},Odor:{Value:"Odorless, no distinctive odor"},pH:{Value:"Acid reaction: a 1% aqueous solution has pH of 4.04 and a 10% solution has a pH of 3.57"},"Refractive Index":{Value:"Index or refraction: 1.738"},Solubility:{Value:"In water, 45,000 mg/L at 25 °C"},Taste:{Value:"Bitter, metallic taste"},Uses:{Value:"For potassium dichromate (USEPA/OPP Pesticide Code: 068302) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cr2K2O7"},24503:{PUBCHEM:{CID:"24503","Compound Complexity":194,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxido-(oxido(dioxo)chromio)oxy-dioxo-chromium","IUPAC Name CAS-like Style":"Oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Markup":"Oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Preferred":"Oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Systematic":"Oxidanidyl-(oxidanidyl-bis(oxidanylidene)chromio)oxy-bis(oxidanylidene)chromium","IUPAC Name Traditional":"(diketo(oxido)chromio)oxy-diketo-oxido-chromium",InChI:"1S/2Cr.7O/q;;;;;;;2*-1",InChIKey:"SOCTUWSJJQCPFX-UHFFFAOYSA-N","Exact Mass":215.845412,"Molecular Formula":"Cr2O7-2","Molecular Weight":215.99,"Monoisotopic Mass":215.845412,Charge:-2,"Easy Name":"Dichromate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2Cr2O7"},24504:{PUBCHEM:{CID:"24504","Compound Complexity":2,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dihypochlorite","IUPAC Name CAS-like Style":"Calcium;dihypochlorite","IUPAC Name Markup":"Calcium;dihypochlorite","IUPAC Name Preferred":"Calcium;dihypochlorite","IUPAC Name Systematic":"Calcium;dihypochlorite","IUPAC Name Traditional":"Calcium;dihypochlorite",InChI:"1S/Ca.2ClO/c;2*1-2/q+2;2*-1",InChIKey:"ZKQDCIXGCQPQNV-UHFFFAOYSA-N","Exact Mass":141.8901255,"Molecular Formula":"CaCl2O2","Molecular Weight":142.98,"Monoisotopic Mass":141.8901255,Charge:0,"Easy Name":"Calcium hypochlorite","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes at 100 °C"},"Color And Form":{Value:"Powder"},Density:{Value:"2.350 g/cu cm"},"Melting Point":{Value:"100 °C"},"NFPA Hazard Classification":{Value:"3-0-1"},Odor:{Value:"Strong chlorine odor"},"Refractive Index":{Value:"Index of refraction: 1.545 (alpha); 1.69 (beta)"},Solubility:{Value:"21% in water at 25 °C"},Uses:{Value:"Disinfectant for drinking water and swimming pools; algicide; oxidizing agent; as household and industrial bleaching agent and sanitizer"}},ReducedFormula:"Ca1Cl2O2"},24507:{PUBCHEM:{CID:"24507","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;sulfate","IUPAC Name CAS-like Style":"Dipotassium;sulfate","IUPAC Name Markup":"Dipotassium;sulfate","IUPAC Name Preferred":"Dipotassium;sulfate","IUPAC Name Systematic":"Dipotassium;sulfate","IUPAC Name Traditional":"Dipotassium;sulfate",InChI:"1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"OTYBMLCTZGSZBG-UHFFFAOYSA-L","Exact Mass":173.87914263,"Molecular Formula":"K2O4S","Molecular Weight":174.26,"Monoisotopic Mass":173.87914263,Charge:0,"Easy Name":"Potassium sulfate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1689 °C"},"Color And Form":{Value:"COLORLESS OR WHITE CRYSTALS, OR WHITE GRANULES OR POWDER"},Density:{Value:"2.66"},"Melting Point":{Value:"1067 °C"},Odor:{Value:"ODORLESS"},pH:{Value:"AQ SOLN IS NEUTRAL; PH ABOUT 7"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.494, 1.495, 1.497"},Solubility:{Value:"1 G DISSOLVES IN: 8.3 ML WATER, 4 ML BOILING WATER, 75 ML GLYCEROL; PRACTICALLY INSOL IN SATURATED SOLN OF AMMONIUM SULFATE; INSOL IN ALC"},Taste:{Value:"HARD, BITTER, SALINE TASTE"},Uses:{Value:"REAGENT IN ANALYTICAL CHEMISTRY; MEDICINE; GYPSUM CEMENTS; ALUM MFR; FOOD ADDITIVE"}},ReducedFormula:"K2O4S1"},24518:{PUBCHEM:{CID:"24518","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;dinitrate","IUPAC Name CAS-like Style":"Zinc;dinitrate","IUPAC Name Markup":"Zinc;dinitrate","IUPAC Name Preferred":"Zinc;dinitrate","IUPAC Name Systematic":"Zinc;dinitrate","IUPAC Name Traditional":"Zinc;dinitrate",InChI:"1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2",InChIKey:"ONDPHDOFVYQSGI-UHFFFAOYSA-N","Exact Mass":187.904777,"Molecular Formula":"N2O6Zn","Molecular Weight":189.4,"Monoisotopic Mass":187.904777,Charge:0,"Easy Name":"Zinc nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White powder"},"Melting Point":{Value:"-18 °C /hydrate/"},Solubility:{Value:"Soluble in alcohol."},Uses:{Value:"AS MORDANT IN DYEING"}},ReducedFormula:"N2O6Zn1"},24519:{PUBCHEM:{CID:"24519","Compound Complexity":36.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trizinc;diphosphate","IUPAC Name CAS-like Style":"Trizinc;diphosphate","IUPAC Name Markup":"Trizinc;diphosphate","IUPAC Name Preferred":"Trizinc;diphosphate","IUPAC Name Systematic":"Trizinc;diphosphate","IUPAC Name Traditional":"Trizinc;diphosphate",InChI:"1S/2H3O4P.3Zn/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;3*+2/p-6",InChIKey:"LRXTYHSAJDENHV-UHFFFAOYSA-H","Exact Mass":383.69116,"Molecular Formula":"O8P2Zn3","Molecular Weight":386.1,"Monoisotopic Mass":381.69427,Charge:0,"Easy Name":"Zinc phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O8P2Zn3"},24522:{PUBCHEM:{CID:"24522","Compound Complexity":156,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Ethyl 3-hydroxybenzoate","IUPAC Name CAS-like Style":"3-hydroxybenzoic acid ethyl ester","IUPAC Name Markup":"Ethyl 3-hydroxybenzoate","IUPAC Name Preferred":"Ethyl 3-hydroxybenzoate","IUPAC Name Systematic":"Ethyl 3-oxidanylbenzoate","IUPAC Name Traditional":"3-hydroxybenzoic acid ethyl ester",InChI:"1S/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3",InChIKey:"MWSMNBYIEBRXAL-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":166.06299418,"Molecular Formula":"C9H10O3","Molecular Weight":166.17,"Monoisotopic Mass":166.06299418,Charge:0,"Easy Name":"Ethyl-3-hydroxybenzoat","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C9H10O3"},24524:{PUBCHEM:{CID:"24524","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Molecular fluorine","IUPAC Name CAS-like Style":"Molecular fluorine","IUPAC Name Markup":"Molecular fluorine","IUPAC Name Preferred":"Molecular fluorine","IUPAC Name Systematic":"Molecular fluorine","IUPAC Name Traditional":"Molecular fluorine",InChI:"1S/F2/c1-2",InChIKey:"PXGOKWXKJXAPGV-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":37.99680633,"Molecular Formula":"F2","Molecular Weight":37.9968063,"Monoisotopic Mass":37.99680633,Charge:0,"Easy Name":"Fluorine","Easy Category":"Diatomic molecule"},HSDB:{"Boiling Point":{Value:"-188.13 °C"},"Color And Form":{Value:"Pale yellow, diatomic gas or liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature = -129 °C; Critical pressure = 55 atm"},Density:{Value:"1.5127 at -188.13 °C (liquid)"},"Heat Of Vaporization":{Value:"6509 J/mol at 85 K"},"Melting Point":{Value:"-219.67 °C (triple point)"},"NFPA Hazard Classification":{Value:"4-0-4"},Odor:{Value:"Sharp penetrating odor"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.0002"},Solubility:{Value:"Decomposes in water"},Uses:{Value:"Fluorine is encountered during its production and use as a rocket propellant; in the manufacture of various fluorides and fluorocarbons; and in various organic and inorganic syntheses."},"Vapor Density":{Value:"1.695 (Air = 1.29)"},"Vapor Pressure":{Value:"760 mm Hg at 85 K"},Viscosity:{Value:"0.257 mPa-s liquid at 85 deg K; 0.0218 mPa-s gas"}},ReducedFormula:"F2"},24526:{PUBCHEM:{CID:"24526","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Molecular chlorine","IUPAC Name CAS-like Style":"Molecular chlorine","IUPAC Name Markup":"Molecular chlorine","IUPAC Name Preferred":"Molecular chlorine","IUPAC Name Systematic":"Molecular chlorine","IUPAC Name Traditional":"Molecular chlorine",InChI:"1S/Cl2/c1-2",InChIKey:"KZBUYRJDOAKODT-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":69.9377054,"Molecular Formula":"Cl2","Molecular Weight":70.9,"Monoisotopic Mass":69.9377054,Charge:0,"Easy Name":"Chlorine","Easy Category":"Diatomic molecule"},HSDB:{"Boiling Point":{Value:"-34.04 °C"},"Color And Form":{Value:"Yellowish-green gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 144 °C; critical pressure: 76.1 atm"},Density:{Value:"2.898 g/L"},"Heat Of Vaporization":{Value:"20.41 kJ/mol at -34.03 °C; 17.76 kJ/mol at 25 °C"},"Melting Point":{Value:"-101.5 °C"},Odor:{Value:"Suffocating odor"},"Refractive Index":{Value:"Index of refraction: 1.3834 at 20 °C/589 nm (liquid)"},Solubility:{Value:"1.46 g/100 cc water at 0 °C; 310 cc/100 cc water at 10 °C; 177 cc/100 cc water at 30 °C; 0.57 g/100 cc water at 30 °C"},Uses:{Value:"For chlorine (USEPA/OPP Pesticide Code: 020501) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"2.48 (Air = 1)"},"Vapor Pressure":{Value:"5.83X10+3 mm Hg at 25 °C"},Viscosity:{Value:"0.134 mPa.sec at 20 °C (gas); 0.346 mPa.sec at 20 °C (liquid)"}},ReducedFormula:"Cl2"},24528:{PUBCHEM:{CID:"24528","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Difluoromanganese","IUPAC Name CAS-like Style":"Difluoromanganese","IUPAC Name Markup":"Difluoromanganese","IUPAC Name Preferred":"Difluoromanganese","IUPAC Name Systematic":"Bis(fluoranyl)manganese","IUPAC Name Traditional":"Difluoromanganese",InChI:"1S/2FH.Mn/h2*1H;/q;;+2/p-2",InChIKey:"CTNMMTCXUUFYAP-UHFFFAOYSA-L","Exact Mass":92.934849,"Molecular Formula":"F2Mn","Molecular Weight":92.93485,"Monoisotopic Mass":92.934849,Charge:0,"Easy Name":"Manganese (II) fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F2Mn1"},24529:{PUBCHEM:{CID:"24529","Compound Complexity":10.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitrous acid","IUPAC Name CAS-like Style":"Nitrous acid","IUPAC Name Markup":"Nitrous acid","IUPAC Name Preferred":"Nitrous acid","IUPAC Name Systematic":"Nitrous acid","IUPAC Name Traditional":"Nitrous acid",InChI:"1S/HNO2/c2-1-3/h(H,2,3)",InChIKey:"IOVCWXUNBOPUCH-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":47.000728276,"Molecular Formula":"HNO2","Molecular Weight":47.014,"Monoisotopic Mass":47.000728276,Charge:0,"Easy Name":"Nitrous acid","Easy Category":"Inorganic acids"},HSDB:{Uses:{Value:"Formation of diazotizing compounds by reaction with primary aromatic amines, source of nitric oxide"}},ReducedFormula:"H1N1O2"},24530:{PUBCHEM:{CID:"24530","Compound Complexity":23,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,InChI:"1S/HN3/c1-3-2/h1H",InChIKey:"JUINSXZKUKVTMD-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":43.017047046,"Molecular Formula":"HN3","Molecular Weight":43.029,"Monoisotopic Mass":43.017047046,Charge:0,"Easy Name":"Hydrazoic acid","Easy Category":"Inorganic acids"},HSDB:{"Boiling Point":{Value:"35.7 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"Specific gravity: 1.09 at 25 °C/4 °C"},"Melting Point":{Value:"-80 °C"},Odor:{Value:"Obnoxious odor"},Solubility:{Value:"In water, 5.4X10+3 mg/L at 25 °C (est)"},Uses:{Value:"Industrially in preparation of heavy metal azides for shell detonators"},"Vapor Pressure":{Value:"484 mm Hg at 25 °C (est)"}},ReducedFormula:"H1N3"},24532:{PUBCHEM:{CID:"24532","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;azanide","IUPAC Name CAS-like Style":"Lithium;azanide","IUPAC Name Markup":"Lithium;azanide","IUPAC Name Preferred":"Lithium;azanide","IUPAC Name Systematic":"Lithium;azanide","IUPAC Name Traditional":"Lithium;azanide",InChI:"1S/Li.H2N/h;1H2/q+1;-1",InChIKey:"AFRJJFRNGGLMDW-UHFFFAOYSA-N","Exact Mass":23.03472751,"Molecular Formula":"H2LiN","Molecular Weight":23,"Monoisotopic Mass":23.03472751,Charge:0,"Easy Name":"Lithium amide","Easy Category":"Amide"},HSDB:{"Color And Form":{Value:"Tetragonal crystals"},Density:{Value:"1.18 g/cu cm"},"Melting Point":{Value:"Starts to decompose at 320 °C and melts at 375 °C"},Odor:{Value:"Ammonia-like odor"},Solubility:{Value:"Slightly soluble in ethanol"},Uses:{Value:"In Claisen condensations; alkylation of nitriles and ketones; synthesis of ethynyl compounds, acetylenic carbinols."}},ReducedFormula:"H2Li1N1"},24533:{PUBCHEM:{CID:"24533","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;azanide","IUPAC Name CAS-like Style":"Sodium;azanide","IUPAC Name Markup":"Sodium;azanide","IUPAC Name Preferred":"Sodium;azanide","IUPAC Name Systematic":"Sodium;azanide","IUPAC Name Traditional":"Sodium;azanide",InChI:"1S/H2N.Na/h1H2;/q-1;+1",InChIKey:"ODZPKZBBUMBTMG-UHFFFAOYSA-N","Exact Mass":39.00849335,"Molecular Formula":"H2NNa","Molecular Weight":39.013,"Monoisotopic Mass":39.00849335,Charge:0,"Easy Name":"Sodium amide","Easy Category":"Amide"},HSDB:{"Boiling Point":{Value:"400 °C"},"Color And Form":{Value:"WHITE CRYSTALLINE POWDER"},Density:{Value:"1.39 @ 20 °C"},"Melting Point":{Value:"210 °C"},Odor:{Value:"AMMONIA ODOR"},Solubility:{Value:"SOLUBILITY IN LIQ AMMONIA AT 20 °C= ABOUT 0.1%"},Uses:{Value:"DEHYDRATING AGENT; PRODN OF INDIGO & HYDRAZINE; INTERMEDIATE IN PREPN OF SODIUM CYANIDE; IN AMMONOLYSIS REACTIONS; IN CLAISEN CONDENSATIONS, ALKYLATION OF NITRILES & KETONES, SYNTH OF ETHYNYL CMPD, ACETYLENIC CARBINOLS"}},ReducedFormula:"H2N1Na1"},24540:{PUBCHEM:{CID:"24540","Compound Complexity":46.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;hydrogen phosphate","IUPAC Name CAS-like Style":"Diammonium;hydrogen phosphate","IUPAC Name Markup":"Diazanium;hydrogen phosphate","IUPAC Name Preferred":"Diazanium;hydrogen phosphate","IUPAC Name Systematic":"Diazanium;hydrogen phosphate","IUPAC Name Traditional":"Diammonium;hydrogen phosphate",InChI:"1S/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4)",InChIKey:"MNNHAPBLZZVQHP-UHFFFAOYSA-N","Exact Mass":132.02999378,"Molecular Formula":"H9N2O4P","Molecular Weight":132.06,"Monoisotopic Mass":132.02999378,Charge:0,"Easy Name":"Diammonium phosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystals"},Density:{Value:"1.619 g/cu cm"},"Melting Point":{Value:"155 °C with decomposition"},Odor:{Value:"Odorless"},pH:{Value:"pH about 8"},Solubility:{Value:"Insoluble in ethanol, acetone"},Taste:{Value:"Saline, cooling taste"},Uses:{Value:"Fireproofing textiles, paper, wood, and vegetable fibers; impregnating lamp wicks; preventing afterglow in matches; flux for soldering tin, copper, brass, and zinc; purifying sugar; in yeast cultures; in dentifrices; in corrosion inhibitors; in fertilizers."}},ReducedFormula:"H9N2O4P1"},24542:{PUBCHEM:{CID:"24542","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;tetraiodomercury(2-)","IUPAC Name CAS-like Style":"Dipotassium;tetraiodomercury(2-)","IUPAC Name Markup":"Dipotassium;tetraiodomercury(2-)","IUPAC Name Preferred":"Dipotassium;tetraiodomercury(2-)","IUPAC Name Systematic":"Dipotassium;tetrakis(iodanyl)mercury(2-)","IUPAC Name Traditional":"Dipotassium;tetraiodomercury(2-)",InChI:"1S/Hg.4HI.2K/h;4*1H;;/q+2;;;;;2*+1/p-4",InChIKey:"OPCMAZHMYZRPID-UHFFFAOYSA-J","Exact Mass":787.5159,"Molecular Formula":"HgI4K2","Molecular Weight":786.41,"Monoisotopic Mass":787.5159,Charge:0,"Easy Name":"Potassium tetraiodomercurate (II)","Easy Category":"Coordination compounds"},HSDB:{"Color And Form":{Value:"Yellow crystals"},Density:{Value:"4.29"},Odor:{Value:"Odorless"},pH:{Value:"Neutral or alkaline to litmus"},Solubility:{Value:"Very sol in water"},Uses:{Value:"For Mercuric Potassium Iodide (USEPA/OPP PC Code: 052107) there are 0 labels match. /SRP: Not registered for current use in the U.S./"}},ReducedFormula:"Hg1I4K2"},24544:{PUBCHEM:{CID:"24544","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Mercuric;sulfate","IUPAC Name CAS-like Style":"Mercury(2+);sulfate","IUPAC Name Markup":"Mercury(2+);sulfate","IUPAC Name Preferred":"Mercury(2+);sulfate","IUPAC Name Systematic":"Mercury(2+);sulfate","IUPAC Name Traditional":"Mercuric;sulfate",InChI:"1S/Hg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"DOBUSJIVSSJEDA-UHFFFAOYSA-L","Exact Mass":297.922373,"Molecular Formula":"HgO4S","Molecular Weight":296.66,"Monoisotopic Mass":297.922373,Charge:0,"Easy Name":"Mercury (II) sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White granules or crystalline powder"},Density:{Value:"6.47"},Odor:{Value:"Odorless"},Solubility:{Value:"Sol in hydrochloric acid, hot dil sulfuric acid, concentrated sodium chloride"},Uses:{Value:"Electrolyte for primary batteries; with sodium chloride for extracting gold and silver from roasted pyrites; as reagent for wine coloring, barbital, and cysteine."}},ReducedFormula:"Hg1O4S1"},24547:{PUBCHEM:{CID:"24547","Compound Complexity":2.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Fluoro hypofluorite","IUPAC Name CAS-like Style":"Hypofluorous acid fluoro ester","IUPAC Name Markup":"Fluoro hypofluorite","IUPAC Name Preferred":"Fluoro hypofluorite","IUPAC Name Systematic":"Fluoranyl hypofluorite","IUPAC Name Traditional":"Hypofluorous acid fluoro ester",InChI:"1S/F2O/c1-3-2",InChIKey:"UJMWVICAENGCRF-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":53.99172095,"Molecular Formula":"F2O","Molecular Weight":53.996,"Monoisotopic Mass":53.99172095,Charge:0,"Easy Name":"Oxygen difluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"-144.75 °C"},"Color And Form":{Value:"COLORLESS GAS; YELLOWISH-BROWN WHEN LIQUID"},Density:{Value:"1.90 at -224 °C (LIQ)"},"Melting Point":{Value:"-223.8 °C"},Odor:{Value:"PECULIAR SMELL"},Solubility:{Value:"6.8 ML GAS/100 ML WATER @ 0 °C"},Uses:{Value:"OXIDIZER IN ROCKET FUEL SYSTEMS"},"Vapor Pressure":{Value:"760 MM HG @ -144.6 °C"}},ReducedFormula:"F2O1"},24549:{PUBCHEM:{CID:"24549","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Difluorolead","IUPAC Name CAS-like Style":"Difluorolead","IUPAC Name Markup":"Difluorolead","IUPAC Name Preferred":"Difluorolead","IUPAC Name Systematic":"Bis(fluoranyl)lead","IUPAC Name Traditional":"Difluorolead",InChI:"1S/2FH.Pb/h2*1H;/q;;+2/p-2",InChIKey:"FPHIOHCCQGUGKU-UHFFFAOYSA-L","Exact Mass":245.97346,"Molecular Formula":"F2Pb","Molecular Weight":245,"Monoisotopic Mass":245.97346,Charge:0,"Easy Name":"Lead (II) fluoride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1293 °C"},"Color And Form":{Value:"White to colorless crystals"},Density:{Value:"8.445 (orthorhombic); 7.750 (cubic)"},"Melting Point":{Value:"830 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Sol in nitric acid, insol in acetone, ammonia"},Uses:{Value:"Electronic and optical applications; starting materials for growing single crystal solid-state lasers; high-temperature dry film lubricants in the form of ceramic-bonded coatings."}},ReducedFormula:"F2Pb1"},24550:{PUBCHEM:{CID:"24550","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Difluorotin","IUPAC Name CAS-like Style":"Difluorotin","IUPAC Name Markup":"Difluorotin","IUPAC Name Preferred":"Difluorotin","IUPAC Name Systematic":"Bis(fluoranyl)tin","IUPAC Name Traditional":"Difluorotin",InChI:"1S/2FH.Sn/h2*1H;/q;;+2/p-2",InChIKey:"ANOBYBYXJXCGBS-UHFFFAOYSA-L","Exact Mass":157.899008,"Molecular Formula":"F2Sn","Molecular Weight":156.71,"Monoisotopic Mass":157.899008,Charge:0,"Easy Name":"Tin (II) fluoride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"850 °C"},"Color And Form":{Value:"Monoclinic, lamellar plates"},Density:{Value:"4.57 @ 25 °C"},"Melting Point":{Value:"213 °C"},pH:{Value:"2.8-3.5 (0.4% AQ SOLN)"},Solubility:{Value:"30-39% in water at 20 °C"},Taste:{Value:"BITTER, SALTY TASTE"},Uses:{Value:"Dental caries prophylactic"}},ReducedFormula:"F2Sn1"},24551:{PUBCHEM:{CID:"24551","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Difluorozinc","IUPAC Name CAS-like Style":"Difluorozinc","IUPAC Name Markup":"Difluorozinc","IUPAC Name Preferred":"Difluorozinc","IUPAC Name Systematic":"Bis(fluoranyl)zinc","IUPAC Name Traditional":"Difluorozinc",InChI:"1S/2FH.Zn/h2*1H;/q;;+2/p-2",InChIKey:"BHHYHSUAOQUXJK-UHFFFAOYSA-L","Exact Mass":101.925948,"Molecular Formula":"F2Zn","Molecular Weight":103.4,"Monoisotopic Mass":101.925948,Charge:0,"Easy Name":"Zinc fluoride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1,500 °C"},"Color And Form":{Value:"COLORLESS MONOCLINIC OR TRICLINIC CRYSTALS"},Density:{Value:"4.9 g/cu cm"},"Heat Of Vaporization":{Value:"958.4 Btu/lb= 532.5 cal/g= 22.3X10+5 J/kg (Est at BP 1500 °C)"},"Melting Point":{Value:"872 °C"},Solubility:{Value:"INSOL IN ALCOHOL & AMMONIA; SOL IN HOT ACID"},Uses:{Value:"FLUORINATION OF ORG CMPD; MFR OF PHOSPHORS FOR FLUORESCENT ELECTRIC LIGHTS; GLAZES & ENAMELS FOR PORCELAIN; PRESERVING WOOD; IN ELECTROPLATING BATHS"}},ReducedFormula:"F2Zn1"},24552:{PUBCHEM:{CID:"24552","Compound Complexity":8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trifluoroiron","IUPAC Name CAS-like Style":"Trifluoroiron","IUPAC Name Markup":"Trifluoroiron","IUPAC Name Preferred":"Trifluoroiron","IUPAC Name Systematic":"Tris(fluoranyl)iron","IUPAC Name Traditional":"Trifluoroiron",InChI:"1S/3FH.Fe/h3*1H;/q;;;+3/p-3",InChIKey:"SHXXPRJOPFJRHA-UHFFFAOYSA-K","Exact Mass":112.930145,"Molecular Formula":"F3Fe","Molecular Weight":112.84,"Monoisotopic Mass":112.930145,Charge:0,"Easy Name":"Iron (III) fluoride","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Green hexagonal crystals"},Density:{Value:"3.87"},Solubility:{Value:"Very slightly soluble in water; freely sol in dilute hydrogen fluoride; practically insoluble in alcohol, ether, benzene; 0.008 g/100 g liquid hydrogen fluoride."},Uses:{Value:"As catalyst in organic reactions."}},ReducedFormula:"F3Fe1"},24553:{PUBCHEM:{CID:"24553","Compound Complexity":8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Traditional":"Trifluoroamine",InChI:"1S/F3N/c1-4(2)3",InChIKey:"GVGCUCJTUSOZKP-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":70.99828349,"Molecular Formula":"F3N","Molecular Weight":71.002,"Monoisotopic Mass":70.99828349,Charge:0,"Easy Name":"Nitrogen trifluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"-128.75 °C"},"Color And Form":{Value:"Colorless gas [Note: Shipped as a nonliquified compressed gas]"},"Critical Temperature And Pressure":{Value:"Critical temperature = 234 K; critical pressure = 4.46MPa"},Density:{Value:"2.902 g/L"},"Heat Of Vaporization":{Value:"11.56 kJ/mol at -128.75 °C"},"Melting Point":{Value:"-208.79 °C"},Odor:{Value:"Moldy odor"},"Refractive Index":{Value:"Refractive Index determined in the gaseous state = 1.0004"},Solubility:{Value:"Water solubility = 1.4X10-5 mol NF3/mol H2O at 25 °C and 101.3 kPa"},Uses:{Value:"Chamber-cleaning gas in the manufacture of electronics."},"Vapor Pressure":{Value:"33,400 mm Hg at 233 K"}},ReducedFormula:"F3N1"},24554:{PUBCHEM:{CID:"24554","Compound Complexity":8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trifluorostibane","IUPAC Name CAS-like Style":"Trifluorostibine","IUPAC Name Markup":"Trifluorostibane","IUPAC Name Preferred":"Trifluorostibane","IUPAC Name Systematic":"Tris(fluoranyl)stibane","IUPAC Name Traditional":"Trifluorostibine",InChI:"1S/3FH.Sb/h3*1H;/q;;;+3/p-3",InChIKey:"GUNJVIDCYZYFGV-UHFFFAOYSA-K","Exact Mass":177.89902,"Molecular Formula":"F3Sb","Molecular Weight":178.76,"Monoisotopic Mass":177.89902,Charge:0,"Easy Name":"Antimony trifluoride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"376 °C"},"Color And Form":{Value:"White orthorhombic crystals"},Density:{Value:"4.38 g/cu cm"},"Heat Of Vaporization":{Value:"102.8 kJ/mol at 298 K"},"Melting Point":{Value:"287 °C"},Solubility:{Value:"In water, 492 g/100 g water at 25 °C"},Uses:{Value:"To catalyze fluorinations by /hydrogen fluoride/; manufacture of chlorofluorides, in dyeing, usually in form of double salts, e.g., antimony sodium fluoride or antimony fluoride and ammonium sulfate double salt; manufacture of pottery and porcelains."},"Vapor Pressure":{Value:"26.34 kPa (0.26 atm) at melting point"}},ReducedFormula:"F3Sb1"},24555:{PUBCHEM:{CID:"24555","Compound Complexity":19.1,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrafluoro-lambda4-sulfane","IUPAC Name CAS-like Style":"Tetrafluoro-lambda4-sulfane","IUPAC Name Markup":"Tetrafluoro-λ4-sulfane","IUPAC Name Preferred":"Tetrafluoro-lambda4-sulfane","IUPAC Name Systematic":"Tetrakis(fluoranyl)-lambda4-sulfane","IUPAC Name Traditional":"Tetrafluorosulfurane",InChI:"1S/F4S/c1-5(2,3)4",InChIKey:"QHMQWEPBXSHHLH-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":107.96568383,"Molecular Formula":"F4S","Molecular Weight":108.06,"Monoisotopic Mass":107.96568383,Charge:0,"Easy Name":"Sulfur tetrafluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"-38 °C"},"Color And Form":{Value:"Colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 90.9 °C"},Density:{Value:"Liquid at -78 °C: 1.95 g/mL; solid at -183 °C: 2.349 g/mL"},"Heat Of Vaporization":{Value:"26.4 kJ/mol"},"Melting Point":{Value:"-121.0 °C"},Odor:{Value:"Irritating odor that resembles sulfur dioxide"},Solubility:{Value:"Freely sol in benzene"},Uses:{Value:"Sulfur tetrafluoride ... can be used for the controlled introduction of fluorine into organic compounds."},"Vapor Density":{Value:"3.78 (Air = 1)"},"Vapor Pressure":{Value:"1.522X10+4 mm Hg (2.0219 Pa) at 25 °C"}},ReducedFormula:"F4S1"},24556:{PUBCHEM:{CID:"24556","Compound Complexity":19.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrafluorosilane","IUPAC Name CAS-like Style":"Tetrafluorosilane","IUPAC Name Markup":"Tetrafluorosilane","IUPAC Name Preferred":"Tetrafluorosilane","IUPAC Name Systematic":"Tetrakis(fluoranyl)silane","IUPAC Name Traditional":"Tetrafluorosilane",InChI:"1S/F4Si/c1-5(2,3)4",InChIKey:"ABTOQLMXBSRXSM-UHFFFAOYSA-N","Exact Mass":103.97053919,"Molecular Formula":"F4Si","Molecular Weight":104.079,"Monoisotopic Mass":103.97053919,Charge:0,"Easy Name":"Silicon tetrafluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"-86 °C"},"Color And Form":{Value:"COLORLESS GAS"},"Critical Temperature And Pressure":{Value:"CRITICAL TEMP -1.5 °C; CRITICAL PRESSURE 50 ATM"},Density:{Value:"0.00469 g/cu-cm (STP); 1.598 g/cu-cm (liquid at -80 °C); 2.145 g/cu-cm (solid at -195 °C)"},"Melting Point":{Value:"-90.2 °C (UNDER PRESSURE)"},Odor:{Value:"VERY PUNGENT ODOR SIMILAR TO THAT OF HYDROGEN CHLORIDE"},Solubility:{Value:"SOL IN ABSOLUTE ALCOHOL; SOL IN HYDROGEN FLUORIDE; INSOL IN ETHER"},Uses:{Value:"MANUFACTURE OF FLUOSILICIC ACID; TO SEAL WATER OUT OF OIL WELLS DURING DRILLINGS; INTERMEDIATE IN MANUFACTURE OF PURE SILICON"},"Vapor Density":{Value:"3.57 (gas, air = 1) @ 15 °C"}},ReducedFormula:"F4Si1"},24557:{PUBCHEM:{CID:"24557","Compound Complexity":37.1,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentafluoro-lambda5-stibane","IUPAC Name CAS-like Style":"Pentafluorostiborane","IUPAC Name Markup":"Pentafluoro-λ5-stibane","IUPAC Name Preferred":"Pentafluoro-lambda5-stibane","IUPAC Name Systematic":"Pentakis(fluoranyl)-lambda5-stibane","IUPAC Name Traditional":"Pentafluorostiborane",InChI:"1S/5FH.Sb/h5*1H;/q;;;;;+5/p-5",InChIKey:"VBVBHWZYQGJZLR-UHFFFAOYSA-I","Exact Mass":215.89583,"Molecular Formula":"F5Sb","Molecular Weight":216.75,"Monoisotopic Mass":215.89583,Charge:0,"Easy Name":"Antimony pentafluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"141 °C"},"Color And Form":{Value:"Hygroscopic, moderately viscous liquid"},Density:{Value:"3.10 g/cu cm"},"Heat Of Vaporization":{Value:"79 Btu/lb = 44 cal/g = 1.8X10+5 J/kg (est)"},"Melting Point":{Value:"8.3 °C"},Odor:{Value:"Sharp odor"},Solubility:{Value:"Reacts violently with water"},Uses:{Value:"Catalyst and/or source of fluorine in fluorination reactions."},Viscosity:{Value:"0.768 cP at 24.4 °C (est)"}},ReducedFormula:"F5Sb1"},24560:{PUBCHEM:{CID:"24560","Compound Complexity":62.7,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexafluorouranium","IUPAC Name CAS-like Style":"Hexafluorouranium","IUPAC Name Markup":"Hexafluorouranium","IUPAC Name Preferred":"Hexafluorouranium","IUPAC Name Systematic":"Hexakis(fluoranyl)uranium","IUPAC Name Traditional":"Hexafluorouranium",InChI:"1S/6FH.U/h6*1H;/q;;;;;;+6/p-6",InChIKey:"SANRKQGLYCLAFE-UHFFFAOYSA-H","Exact Mass":352.04121,"Molecular Formula":"F6U","Molecular Weight":352.0193,"Monoisotopic Mass":352.04121,Charge:0,"Easy Name":"Uranium hexafluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"56.5 °C sublimation point"},"Color And Form":{Value:"Volatile white monoclinic crystalline solid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 230.2 °C; Critical pressure: 45.5 atm"},Density:{Value:"5.09 at 20.7 °C/4 °C; (liq): 3.595 at 70 °C"},"Heat Of Vaporization":{Value:"28.899 kJ/mol at 64.01 °C"},"Melting Point":{Value:"64.5 °C at 2 atm"},Solubility:{Value:"Sol in liq chlorine and bromine. ... Sol in carbon tetrachloride, chloroform, and sym tetrachloroethane, Cl2CHCHCl2, which forms the most stable soln, extensive reaction occurring only after several days at room temp. Sol in fluorocarbons (C6F6 or C7F16) without reaction."},Uses:{Value:"/Intermediate in the/ gaseous diffusion process for separating isotopes of uranium."},"Vapor Density":{Value:"12 at BP of uranium hexafluoride (Air= 1)"},"Vapor Pressure":{Value:"115 mm Hg at 25 °C"}},ReducedFormula:"F6U1"},24561:{PUBCHEM:{CID:"24561","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chlorosilver","IUPAC Name CAS-like Style":"Chlorosilver","IUPAC Name Markup":"Chlorosilver","IUPAC Name Preferred":"Chlorosilver","IUPAC Name Systematic":"Chloranylsilver","IUPAC Name Traditional":"Chlorosilver",InChI:"1S/Ag.ClH/h;1H/q+1;/p-1",InChIKey:"HKZLPVFGJNLROG-UHFFFAOYSA-M","Exact Mass":141.87394,"Molecular Formula":"AgCl","Molecular Weight":143.32,"Monoisotopic Mass":141.87394,Charge:0,"Easy Name":"Silver chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag1Cl1"},24562:{PUBCHEM:{CID:"24562","Compound Complexity":95.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;perchlorate","IUPAC Name CAS-like Style":"Silver;perchlorate","IUPAC Name Markup":"Silver;perchlorate","IUPAC Name Preferred":"Silver;perchlorate","IUPAC Name Systematic":"Silver;perchlorate","IUPAC Name Traditional":"Silver;perchlorate",InChI:"1S/Ag.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5)/q+1;/p-1",InChIKey:"YDHABVNRCBNRNZ-UHFFFAOYSA-M","Exact Mass":205.8536,"Molecular Formula":"AgClO4","Molecular Weight":207.32,"Monoisotopic Mass":205.8536,Charge:0,"Easy Name":"Silver perchlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag1Cl1O4"},24563:{PUBCHEM:{CID:"24563","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iodosilver","IUPAC Name CAS-like Style":"Iodosilver","IUPAC Name Markup":"Iodosilver","IUPAC Name Preferred":"Iodosilver","IUPAC Name Systematic":"Iodanylsilver","IUPAC Name Traditional":"Iodosilver",InChI:"1S/Ag.HI/h;1H/q+1;/p-1",InChIKey:"MSFPLIAKTHOCQP-UHFFFAOYSA-M","Exact Mass":233.80956,"Molecular Formula":"AgI","Molecular Weight":234.773,"Monoisotopic Mass":233.80956,Charge:0,"Easy Name":"Silver iodide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1506 °C"},"Color And Form":{Value:"Light yellow, powder; crystals are hexagonal or cubic"},Density:{Value:"5.67"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of silver iodide stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this odorless, light yellow, crystalline substance may occur from its use in seeding clouds for rain-making, as a photosensitive agent in photography, as a local antiseptic, and as a chemical intermediate. Effects from exposure may include skin rashes, conjunctivitis, argyria (a permanent ashen-gray discoloration of skin, conjunctiva, and internal organs), headache, fever, hypersensitivity, laryngitis, and bronchitis. Exposure should be minimized by engineering controls (eg, local exhaust ventilation, or process enclosure). In activities where over-exposure may occur, workers should wear impervious clothing, gloves, face protection, and a self-contained breathing apparatus. Such clothing and equipment should be removed before leaving the worksite. Skin that becomes contaminated with silver iodide should be promptly washed. Eating and smoking should be prohibited in silver iodide work areas. Silver iodide may form explosive compounds with sodium, potassium, acetylene, ammonia, and hydrogen peroxide. Silver iodide should be stored in cool, dark areas, away from the above materials. Before shipping silver iodide, consult with the regulatory requirements of the US Department of Transportation. For small dry spills of silver iodide, collect the material and deposit in sealed containers for reclamation. Before implementing land disposal of silver iodide waste, consult with environmental regulatory agencies for guidance."},"Melting Point":{Value:"552 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Sol in hydriodic acid, /aqueous solutions of/ potassium iodide, sodium chloride, potassium cyanide, ammonium hydroxide, and sodium thiosulfate."},Taste:{Value:"Tasteless"},Uses:{Value:"Photography; laboratory reagent; cloud seeding for artificial rainmaking"},"Vapor Pressure":{Value:"1 MM HG @ 820 °C"}},ReducedFormula:"Ag1I1"},24569:{PUBCHEM:{CID:"24569","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tribromoarsane","IUPAC Name CAS-like Style":"Tribromoarsine","IUPAC Name Markup":"Tribromoarsane","IUPAC Name Preferred":"Tribromoarsane","IUPAC Name Systematic":"Tris(bromanyl)arsane","IUPAC Name Traditional":"Tribromoarsine",InChI:"1S/AsBr3/c2-1(3)4",InChIKey:"JMBNQWNFNACVCB-UHFFFAOYSA-N","Exact Mass":313.67456,"Molecular Formula":"AsBr3","Molecular Weight":314.63,"Monoisotopic Mass":311.67661,Charge:0,"Easy Name":"Arsenic tribromide","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"221 °C"},"Color And Form":{Value:"Orthorhombic prisms"},Density:{Value:"3.40 @ 25 °C"},"Melting Point":{Value:"31.1 °C"},Solubility:{Value:"Soluble in hydrocarbons; carbon tetrachloride; very soluble in ether, benzene"},Uses:{Value:"Analytical chemistry, medicine"},"Vapor Pressure":{Value:"1 mm Hg @ 41.8 °C"}},ReducedFormula:"As1Br3"},24571:{PUBCHEM:{CID:"24571","Compound Complexity":8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trifluoroarsane","IUPAC Name CAS-like Style":"Trifluoroarsine","IUPAC Name Markup":"Trifluoroarsane","IUPAC Name Preferred":"Trifluoroarsane","IUPAC Name Systematic":"Tris(fluoranyl)arsane","IUPAC Name Traditional":"Trifluoroarsine",InChI:"1S/AsF3/c2-1(3)4",InChIKey:"JCMGUODNZMETBM-UHFFFAOYSA-N","Exact Mass":131.916804,"Molecular Formula":"AsF3","Molecular Weight":131.9168,"Monoisotopic Mass":131.916804,Charge:0,"Easy Name":"Arsenic trifluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"57.8 °C"},"Color And Form":{Value:"OILY LIQUID"},Density:{Value:"2.7"},"Melting Point":{Value:"-5.9 °C"},Solubility:{Value:"Soluble in ammonium hydroxide"},Uses:{Value:"Arsenic trifluoride is used ... in ion implantation (qv), and in synthesis of arsenic pentafluoride."},"Vapor Pressure":{Value:"100 mm Hg @ 13.2 °C"}},ReducedFormula:"As1F3"},24575:{PUBCHEM:{CID:"24575","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodoarsane","IUPAC Name CAS-like Style":"Triiodoarsine","IUPAC Name Markup":"Triiodoarsane","IUPAC Name Preferred":"Triiodoarsane","IUPAC Name Systematic":"Tris(iodanyl)arsane","IUPAC Name Traditional":"Triiodoarsine",InChI:"1S/AsI3/c2-1(3)4",InChIKey:"IKIBSPLDJGAHPX-UHFFFAOYSA-N","Exact Mass":455.635,"Molecular Formula":"AsI3","Molecular Weight":455.635,"Monoisotopic Mass":455.635,Charge:0,"Easy Name":"Arsenic triiodide","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"424 °C"},"Color And Form":{Value:"Orange-red, trigonal rhombohedra from acetone; aq soln is yellow"},Density:{Value:"4.688 @ 25 °C/4 °C"},"Melting Point":{Value:"140.9 °C"},pH:{Value:"1.1 (aq 0.1 N soln)"},"Refractive Index":{Value:"INDEX OF REFRACTION: APPROX 2.59, APPROX 2.23"},Solubility:{Value:"6 g/100 ml water at 25 °C"},Uses:{Value:"MEDICATION (VET):"}},ReducedFormula:"As1I3"},24579:{PUBCHEM:{CID:"24579","Compound Complexity":224,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisodium;2,4,6-trioxido-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide","IUPAC Name CAS-like Style":"Trisodium;2,4,6-trioxido-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphorinane 2,4,6-trioxide","IUPAC Name Markup":"Trisodium;2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide","IUPAC Name Preferred":"Trisodium;2,4,6-trioxido-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide","IUPAC Name Systematic":"Trisodium;2,4,6-tris(oxidanidyl)-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide","IUPAC Name Traditional":"Trisodium;2,4,6-trioxido-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphorinane 2,4,6-trioxide",InChI:"1S/3Na.H3O9P3/c;;;1-10(2)7-11(3,4)9-12(5,6)8-10/h;;;(H,1,2)(H,3,4)(H,5,6)/q3*+1;/p-3",InChIKey:"UGTZMIPZNRIWHX-UHFFFAOYSA-K","Exact Mass":305.84482542,"Molecular Formula":"Na3O9P3","Molecular Weight":305.89,"Monoisotopic Mass":305.84482542,Charge:0,"Easy Name":"Sodium trimetaphosphate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"TOOTHPASTES CONTAINING 0.5-95% SILICON DIOXIDE XEROGEL & 0.5-6% SODIUM TRIMETAPHOSPHATE ARE EFFECTIVE TOOTH POLISHING AGENTS."}},ReducedFormula:"Na3O9P3"},24584:{PUBCHEM:{CID:"24584","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;dichloride","IUPAC Name CAS-like Style":"Magnesium;dichloride","IUPAC Name Markup":"Magnesium;dichloride","IUPAC Name Preferred":"Magnesium;dichloride","IUPAC Name Systematic":"Magnesium;dichloride","IUPAC Name Traditional":"Magnesium;dichloride",InChI:"1S/2ClH.Mg/h2*1H;/q;;+2/p-2",InChIKey:"TWRXJAOTZQYOKJ-UHFFFAOYSA-L","Exact Mass":93.9227471,"Molecular Formula":"Cl2Mg","Molecular Weight":95.21,"Monoisotopic Mass":93.9227471,Charge:0,"Easy Name":"Magnesium chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Mg1"},24586:{PUBCHEM:{CID:"24586","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;sulfate","IUPAC Name CAS-like Style":"Nickel(2+);sulfate","IUPAC Name Markup":"Nickel(2+);sulfate","IUPAC Name Preferred":"Nickel(2+);sulfate","IUPAC Name Systematic":"Nickel(2+);sulfate","IUPAC Name Traditional":"Nickelous;sulfate",InChI:"1S/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"LGQLOGILCSXPEA-UHFFFAOYSA-L","Exact Mass":153.887071,"Molecular Formula":"NiO4S","Molecular Weight":154.76,"Monoisotopic Mass":153.887071,Charge:0,"Easy Name":"Nickel (II) sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Green-yellow crystals"},Density:{Value:"4.01 g/cu cm"},"Melting Point":{Value:"Decomposes @ 840 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"29.3 G/100 CC WATER @ 0 °C"},Uses:{Value:"As mordant in dyeing and printing fabrics; blackening zinc and brass; nickel-plating /Heptahydrate/"}},ReducedFormula:"Ni1O4S1"},24588:{PUBCHEM:{CID:"24588","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Beryllium;dichloride","IUPAC Name CAS-like Style":"Beryllium;dichloride","IUPAC Name Markup":"Beryllium;dichloride","IUPAC Name Preferred":"Beryllium;dichloride","IUPAC Name Systematic":"Beryllium;dichloride","IUPAC Name Traditional":"Beryllium;dichloride",InChI:"1S/Be.2ClH/h;2*1H/q+2;;/p-2",InChIKey:"LWBPNIJBHRISSS-UHFFFAOYSA-L","Exact Mass":78.949888,"Molecular Formula":"BeCl2","Molecular Weight":79.92,"Monoisotopic Mass":78.949888,Charge:0,"Easy Name":"Beryllium chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"482 °C"},"Color And Form":{Value:"White-yellow orthorhombic crystals"},Density:{Value:"1.90 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of beryllium chloride stem from its toxicologic properties. Toxic primarily by inhalation and dermal contact, exposure to this acrid-smelling, white-to-faintly-yellow, crystalline substance may occur from its use as a catalyst in organic synthesis, and as an intermediate in the production of beryllium metal and compounds. Effects from exposure may include skin ulceration, headache, fatigue, chest pain, shortness of breath, pulmonary edema, and possibly death from heart failure. The OSHA PEL and ACGIH TLV are set at a TWA of 2 ug/cu m. Engineering control of process equipment (eg, enclosure and local exhaust ventilation) should be used to prevent inhalation and skin contact with beryllium chloride. In activities or situations where over-exposure is possible, workers should wear, goggles, a self-contained breathing apparatus, and protective clothing. Work clothes should not be taken home. Should contact occur, immediately remove contaminated clothing and flush affected skin and eyes with running water for at least 15 minutes. While beryllium chloride does not ignite easily, it may burn with the possible formation of toxic and irritating beryllium oxide fumes and hydrogen chloride. For small fires involving beryllium chloride, extinguish with dry chemical, CO2, Halon, water spray, or standard foam, and for large fires, use water spray, fog, or standard foam. Wear an appropriate respirator and protective clothing when fighting such fires. Shipping regulations and other DOT regulatory requirements should be consulted before transport. Storage areas should be kept dry because beryllium chloride not only corrodes most metals in the presence of moisture, but may react vigorously with water, evolving heat and forming beryllium oxide. Containers should be protected from physical damage, and isolated from acids, caustics, chlorinated hydrocarbons, and oxidizing materials. Small dry spills of beryllium chloride may be shovelled into a clean, dry, covered container for later disposal (solutions are first absorbed in sand or other noncombustible absorbant). Large liquid spills are diked far ahead for collection, and to prevent pollution or the possible formation of flammable and explosive hydrogen gas if the substance were to enter a confined space. Consideration should be given to converting waste beryllium chloride into chemically inert oxides using incineration and particulate collection techniques. These oxides can possibly be returned to suppliers. Before implementing land disposal of beryllium chloride waste, consult with environmental regulatory agencies for guidance."},"Melting Point":{Value:"415 °C"},Odor:{Value:"Sharp, acrid"},pH:{Value:"Aqueous solution is strongly acid"},Solubility:{Value:"In water, 71.5 g/100 g water at 25 °C"},Taste:{Value:"Sweetish taste"},Uses:{Value:"Manufacture of beryllium. Anhydrous form used as acid catalyst in organic reactions, similar to AlCl3."},"Vapor Pressure":{Value:"1 mm Hg at 291 °C (sublimes)"}},ReducedFormula:"Be1Cl2"},24591:{PUBCHEM:{CID:"24591","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichlorobismuthane","IUPAC Name CAS-like Style":"Trichlorobismuthine","IUPAC Name Markup":"Trichlorobismuthane","IUPAC Name Preferred":"Trichlorobismuthane","IUPAC Name Systematic":"Tris(chloranyl)bismuthane","IUPAC Name Traditional":"Trichlorobismuthine",InChI:"1S/Bi.3ClH/h;3*1H/q+3;;;/p-3",InChIKey:"JHXKRIRFYBPWGE-UHFFFAOYSA-K","Exact Mass":313.88696,"Molecular Formula":"BiCl3","Molecular Weight":315.33,"Monoisotopic Mass":313.88696,Charge:0,"Easy Name":"Bismuth chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi1Cl3"},24592:{PUBCHEM:{CID:"24592","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;bromide","IUPAC Name CAS-like Style":"Cesium;bromide","IUPAC Name Markup":"Cesium;bromide","IUPAC Name Preferred":"Cesium;bromide","IUPAC Name Systematic":"Cesium;bromide","IUPAC Name Traditional":"Cesium;bromide",InChI:"1S/BrH.Cs/h1H;/q;+1/p-1",InChIKey:"LYQFWZFBNBDLEO-UHFFFAOYSA-M","Exact Mass":211.82379,"Molecular Formula":"BrCs","Molecular Weight":212.81,"Monoisotopic Mass":211.82379,Charge:0,"Easy Name":"Caesium bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1Cs1"},24593:{PUBCHEM:{CID:"24593","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bromocopper","IUPAC Name CAS-like Style":"Bromocopper","IUPAC Name Markup":"Bromocopper","IUPAC Name Preferred":"Bromocopper","IUPAC Name Systematic":"Bromanylcopper","IUPAC Name Traditional":"Bromocopper",InChI:"1S/BrH.Cu/h1H;/q;+1/p-1",InChIKey:"NKNDPYCGAZPOFS-UHFFFAOYSA-M","Exact Mass":141.84793,"Molecular Formula":"BrCu","Molecular Weight":143.45,"Monoisotopic Mass":141.84793,Charge:0,"Easy Name":"Copper (I) bromide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1345 °C"},"Color And Form":{Value:"White powder or cubic crystals (zinc blende structure)"},Density:{Value:"4.72 @ 25 °C/4 °C"},"Melting Point":{Value:"504 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.116"},Solubility:{Value:"Slightly sol in cold water; sol in hydrochloric acid, hydrobromic acid, ammonium hydroxide with the formation of complexes; practically insoluble in acetone, concentrated sulfuric acid"},Uses:{Value:"As a catalyst for organic reactions"},"Vapor Pressure":{Value:"1 MM HG @ 572 °C"}},ReducedFormula:"Br1Cu1"},24594:{PUBCHEM:{CID:"24594","Compound Complexity":8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trifluoro-lambda3-bromane","IUPAC Name CAS-like Style":"Trifluoro-lambda3-bromane","IUPAC Name Markup":"Trifluoro-λ3-bromane","IUPAC Name Preferred":"Trifluoro-lambda3-bromane","IUPAC Name Systematic":"Tris(fluoranyl)-lambda3-bromane","IUPAC Name Traditional":"Trifluoro-lambda3-bromane",InChI:"1S/BrF3/c2-1(3)4",InChIKey:"FQFKTKUFHWNTBN-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":135.91355,"Molecular Formula":"BrF3","Molecular Weight":136.9,"Monoisotopic Mass":135.91355,Charge:0,"Easy Name":"Bromine trifluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"125.75 °C"},"Color And Form":{Value:"Colorless liquid; also reported to be pale yellow. Long prisms when solid."},Density:{Value:"2.8030 g/cu cm at 25 °C"},"Melting Point":{Value:"8.77 °C"},Uses:{Value:"Solvent for ionic reactions that need to be carried out under highly oxidizing conditions. As a strong fluorinating agent, it finds use in organic syntheses and in the formation of inorganic fluorides."},"Vapor Pressure":{Value:"2.8030 g/cu cm at 25 °C"}},ReducedFormula:"Br1F3"},24597:{PUBCHEM:{CID:"24597","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;dioxido(dioxo)chromium","IUPAC Name CAS-like Style":"Dipotassium;dioxido(dioxo)chromium","IUPAC Name Markup":"Dipotassium;dioxido(dioxo)chromium","IUPAC Name Preferred":"Dipotassium;dioxido(dioxo)chromium","IUPAC Name Systematic":"Dipotassium;bis(oxidanidyl)-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Dipotassium;diketo(dioxido)chromium",InChI:"1S/Cr.2K.4O/q;2*+1;;;2*-1",InChIKey:"XMXNVYPJWBTAHN-UHFFFAOYSA-N","Exact Mass":193.847576,"Molecular Formula":"CrK2O4","Molecular Weight":194.19,"Monoisotopic Mass":193.847576,Charge:0,"Easy Name":"Potassium chromate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Yellow orthorhombic crystals"},Density:{Value:"2.73"},"Melting Point":{Value:"975 °C"},Odor:{Value:"Odorless"},pH:{Value:"Aqueous solution is alkaline to litmus or phenolphthalein"},"Refractive Index":{Value:"Index of refraction: beta 1.74"},Solubility:{Value:"In water, 65.0 g/100 g water at 25 °C"},Taste:{Value:"Disagreeable bitter taste"},Uses:{Value:"For potassium chromate (USEPA/OPP Pesticide Code: 068301) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"Zero"}},ReducedFormula:"Cr1K2O4"},24598:{PUBCHEM:{CID:"24598","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromic;trinitrate","IUPAC Name CAS-like Style":"Chromium(3+);trinitrate","IUPAC Name Markup":"Chromium(3+);trinitrate","IUPAC Name Preferred":"Chromium(3+);trinitrate","IUPAC Name Systematic":"Chromium(3+);trinitrate","IUPAC Name Traditional":"Chromic;trinitrate",InChI:"1S/Cr.3NO3/c;3*2-1(3)4/q+3;3*-1",InChIKey:"PHFQLYPOURZARY-UHFFFAOYSA-N","Exact Mass":237.903959,"Molecular Formula":"CrN3O9","Molecular Weight":238.01,"Monoisotopic Mass":237.903959,Charge:0,"Easy Name":"Chromium nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1N3O9"},24599:{PUBCHEM:{CID:"24599","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;dioxido(dioxo)chromium","IUPAC Name CAS-like Style":"Strontium;dioxido(dioxo)chromium","IUPAC Name Markup":"Strontium;dioxido(dioxo)chromium","IUPAC Name Preferred":"Strontium;dioxido(dioxo)chromium","IUPAC Name Systematic":"Strontium;bis(oxidanidyl)-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Strontium;diketo(dioxido)chromium",InChI:"1S/Cr.4O.Sr/q;;;2*-1;+2",InChIKey:"NVKTUNLPFJHLCG-UHFFFAOYSA-N","Exact Mass":203.825776,"Molecular Formula":"CrO4Sr","Molecular Weight":203.6,"Monoisotopic Mass":203.825776,Charge:0,"Easy Name":"Strontium chromate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Yellow powder"},Density:{Value:"3.89"},"Melting Point":{Value:"Decomposes"},Odor:{Value:"Odorless"},pH:{Value:"pH = 8.5"},Solubility:{Value:"0.106 g/100 g water at 20 °C"},Uses:{Value:"Corrosion inhibitor in pigments; in electrochemical processes to control sulfate concentration of solutions."}},ReducedFormula:"Cr1O4Sr1"},24600:{PUBCHEM:{CID:"24600","Compound Complexity":194,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;oxido-(oxido(dioxo)chromio)oxy-dioxo-chromium","IUPAC Name CAS-like Style":"Diammonium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Markup":"Diazanium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Preferred":"Diazanium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Systematic":"Diazanium;oxidanidyl-(oxidanidyl-bis(oxidanylidene)chromio)oxy-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Diammonium;(diketo(oxido)chromio)oxy-diketo-oxido-chromium",InChI:"1S/2Cr.2H3N.7O/h;;2*1H3;;;;;;;/q;;;;;;;;;2*-1/p+2",InChIKey:"JOSWYUNQBRPBDN-UHFFFAOYSA-P","Exact Mass":251.914161,"Molecular Formula":"Cr2H8N2O7","Molecular Weight":252.07,"Monoisotopic Mass":251.914161,Charge:0,"Easy Name":"Ammonium dichromate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Bright orange-red monoclinic prisms"},Density:{Value:"2.155 g/cu cm at 25 °C"},"Melting Point":{Value:"Decomposes 180 °C"},Odor:{Value:"Odorless"},pH:{Value:"1% solution has pH of 3.95; 10% solution has pH of 3.45"},Solubility:{Value:"35.6 g/100 g water at 20 °C"},Uses:{Value:"For Ammonium dichromate (USEPA/OPP Pesticide Code: 068305) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cr2H8N2O7"},24601:{PUBCHEM:{CID:"24601","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;iodide","IUPAC Name CAS-like Style":"Cesium;iodide","IUPAC Name Markup":"Cesium;iodide","IUPAC Name Preferred":"Cesium;iodide","IUPAC Name Systematic":"Cesium;iodide","IUPAC Name Traditional":"Cesium;iodide",InChI:"1S/Cs.HI/h;1H/q+1;/p-1",InChIKey:"XQPRBTXUXXVTKB-UHFFFAOYSA-M","Exact Mass":259.80992,"Molecular Formula":"CsI","Molecular Weight":259.8099,"Monoisotopic Mass":259.80992,Charge:0,"Easy Name":"Caesium iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs1I1"},24606:{PUBCHEM:{CID:"24606","Compound Complexity":37.1,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentafluoro-lambda5-bromane","IUPAC Name CAS-like Style":"Pentafluoro-lambda5-bromane","IUPAC Name Markup":"Pentafluoro-λ5-bromane","IUPAC Name Preferred":"Pentafluoro-lambda5-bromane","IUPAC Name Systematic":"Pentakis(fluoranyl)-lambda5-bromane","IUPAC Name Traditional":"Pentafluoro-lambda5-bromane",InChI:"1S/BrF5/c2-1(3,4,5)6",InChIKey:"XHVUVQAANZKEKF-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":173.91035,"Molecular Formula":"BrF5","Molecular Weight":174.9,"Monoisotopic Mass":173.91035,Charge:0,"Easy Name":"Bromine pentafluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"40.76 °C"},"Color And Form":{Value:"Liquid"},Density:{Value:"2.4604 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"30.6 kJ/mol at 297-314 deg K, 31.2 kJ/mol at 213-297 deg K"},"Melting Point":{Value:"-60.5 °C"},Odor:{Value:"Pungent odor"},"Refractive Index":{Value:"Index of refraction: 1.3529"},Solubility:{Value:"Produces an explosion on contact with water"},Uses:{Value:"Synthesis, oxidizer in liquid rocket propellants."},"Vapor Density":{Value:"6.05 (Air = 1)"},"Vapor Pressure":{Value:"406 mm Hg at 25 °C"}},ReducedFormula:"Br1F5"},24608:{PUBCHEM:{CID:"24608","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dibromide","IUPAC Name CAS-like Style":"Calcium;dibromide","IUPAC Name Markup":"Calcium;dibromide","IUPAC Name Preferred":"Calcium;dibromide","IUPAC Name Systematic":"Calcium;dibromide","IUPAC Name Traditional":"Calcium;dibromide",InChI:"1S/2BrH.Ca/h2*1H;/q;;+2/p-2",InChIKey:"WGEFECGEFUFIQW-UHFFFAOYSA-L","Exact Mass":199.79722,"Molecular Formula":"Br2Ca","Molecular Weight":199.89,"Monoisotopic Mass":197.79927,Charge:0,"Easy Name":"Calcium bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br2Ca1"},24609:{PUBCHEM:{CID:"24609","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibromocadmium","IUPAC Name CAS-like Style":"Dibromocadmium","IUPAC Name Markup":"Dibromocadmium","IUPAC Name Preferred":"Dibromocadmium","IUPAC Name Systematic":"Bis(bromanyl)cadmium","IUPAC Name Traditional":"Dibromocadmium",InChI:"1S/2BrH.Cd/h2*1H;/q;;+2/p-2",InChIKey:"KPWJBEFBFLRCLH-UHFFFAOYSA-L","Exact Mass":273.73799,"Molecular Formula":"Br2Cd","Molecular Weight":272.22,"Monoisotopic Mass":271.74004,Charge:0,"Easy Name":"Cadmium bromide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"863 °C"},"Color And Form":{Value:"White-yellow hexagonal crystals; hygroscopic"},Density:{Value:"5.19 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of cadmium bromide stem from its toxicologic properties. Toxic primarily by ingestion and inhalation, exposure to this odorless, white-to-yellowish, crystalline substance may occur from its use in photography, process engraving, and lithography. Effects from exposure may include contact burns to the skin, headace, shortness of breath, chest pains, kidney damage, emphysema, and chronic bronchitis. Processes and operations which may release cadmium fumes or dust should be enclosed and fitted with exhaust ventilation. In activities where over-exposure is possible, workers should wear a high efficiency particulate filter respirator or self-contained breathing apparatus. Protective clothing also should be worn, including eye and face protection, and rubber gloves. All such clothing should be removed before leaving work. If contact should occur, immediately wash contaminated skin with large amounts of water. Do not eat, smoke, or drink in work areas. Cadmium bromide presents only a moderate fire hazard (when in the form of dust) if exposed to heat, flame, or by chemical reaction with oxidizing agents, metals, hydrogen azide, zinc, selenium, or tellurium. For small fires involving cadmium bromide, extinguish with dry chemical, CO2, Halon, water spray, or standard foam, and for large fires, use water spray, fog, or standard foam. Wear a self-contained breathing apparatus when fighting such fires. Cadmium bromide should be stored in cool, well-ventilated areas, out of direct rays of the sun, and away from fire hazards. Small spills of cadmium bromide should be collected in containers for latter disposal (liquids are first absorbed by sand or other noncombustible material). Large spills of cadmium bromide (solution) should be contained in an excavated pit or other holding area, and surface runoff diked to prevent its escape. Solids should be covered with a plastic sheet. For large spills into bodies of water, first neutralize with agricultural lime, crushed limestone, or sodium bicarbonate, then use mechanical dredges or lifts to remove immobilized masses and precipitates. Before implementing land disposal of waste cadmium bromide, consult environmental regulatory agencies for guidance."},"Heat Of Vaporization":{Value:"115 kJ/mol at 863 °C"},"Melting Point":{Value:"568 °C"},Solubility:{Value:"Freely soluble in alcohol; moderately soluble in acetone; slightly soluble in ether"},Uses:{Value:"Photography; process engraving; lithography"}},ReducedFormula:"Br2Cd1"},24610:{PUBCHEM:{CID:"24610","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibromocobalt","IUPAC Name CAS-like Style":"Dibromocobalt","IUPAC Name Markup":"Dibromocobalt","IUPAC Name Preferred":"Dibromocobalt","IUPAC Name Systematic":"Bis(bromanyl)cobalt","IUPAC Name Traditional":"Dibromocobalt",InChI:"1S/2BrH.Co/h2*1H;/q;;+2/p-2",InChIKey:"BZRRQSJJPUGBAA-UHFFFAOYSA-L","Exact Mass":218.76782,"Molecular Formula":"Br2Co","Molecular Weight":218.74,"Monoisotopic Mass":216.76987,Charge:0,"Easy Name":"Cobalt (II) bromide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Bright green solid or lustrous green crystalline leaflets"},Density:{Value:"4.909 at 25 °C/4 °C"},"Melting Point":{Value:"678 °C under HBr and molecular nitrogen"},pH:{Value:"Acidic salts (such as cobaltous bromide) ... resulting aqueous solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases."},Solubility:{Value:"Readily soluble in water"},Uses:{Value:"Chiefly in hygrometers; also in catalysts for organic reactions."}},ReducedFormula:"Br2Co1"},24611:{PUBCHEM:{CID:"24611","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibromocopper","IUPAC Name CAS-like Style":"Dibromocopper","IUPAC Name Markup":"Dibromocopper","IUPAC Name Preferred":"Dibromocopper","IUPAC Name Systematic":"Bis(bromanyl)copper","IUPAC Name Traditional":"Dibromocopper",InChI:"1S/2BrH.Cu/h2*1H;/q;;+2/p-2",InChIKey:"QTMDXZNDVAMKGV-UHFFFAOYSA-L","Exact Mass":222.76422,"Molecular Formula":"Br2Cu","Molecular Weight":223.35,"Monoisotopic Mass":220.76627,Charge:0,"Easy Name":"Copper (II) bromide","Easy Category":"Inorganic matter"},HSDB:{"Boiling Point":{Value:"900 °C"},"Color And Form":{Value:"Almost black, iodine like, monoclinic crystals or crystalline powder"},Density:{Value:"4.710 @ 20 °C/4 °C"},"Melting Point":{Value:"498 °C"},Solubility:{Value:"Very sol in water; sol in alcohol, acetone, ammonia; practically insol in benzene, ether, concentrated sulfuric acid"},Uses:{Value:"As intensifier in photography; as brominating agent in org synthesis; as humidity indicator; as wood preservative; in solid electrolyte battery; as stabilizer for acetylated polyformaldehyde"}},ReducedFormula:"Br2Cu1"},24612:{PUBCHEM:{CID:"24612","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibromomercury","IUPAC Name CAS-like Style":"Dibromomercury","IUPAC Name Markup":"Dibromomercury","IUPAC Name Preferred":"Dibromomercury","IUPAC Name Systematic":"Bis(bromanyl)mercury","IUPAC Name Traditional":"Dibromomercury",InChI:"1S/2BrH.Hg/h2*1H;/q;;+2/p-2",InChIKey:"NGYIMTKLQULBOO-UHFFFAOYSA-L","Exact Mass":361.80527,"Molecular Formula":"Br2Hg","Molecular Weight":360.4,"Monoisotopic Mass":359.80732,Charge:0,"Easy Name":"Mercury (II) bromide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"322 °C"},"Color And Form":{Value:"White crystals or crystalline powder"},Density:{Value:"6.05"},"Melting Point":{Value:"237 °C"},Solubility:{Value:"Sol in about 200 parts cold, 25 parts boiling water; freely sol in hot alcohol, in methanol, hydrogen bromide, alkali bromide soln, hydrochloric acid; slightly sol in chloroform."},Uses:{Value:"/In prepn of/ medicines"},"Vapor Pressure":{Value:"100 mm Hg at 237.8 °C (liquid); 1 mm Hg at 136.5 °C (solid)"}},ReducedFormula:"Br2Hg1"},24615:{PUBCHEM:{CID:"24615","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tribromostibane","IUPAC Name CAS-like Style":"Tribromostibine","IUPAC Name Markup":"Tribromostibane","IUPAC Name Preferred":"Tribromostibane","IUPAC Name Systematic":"Tris(bromanyl)stibane","IUPAC Name Traditional":"Tribromostibine",InChI:"1S/3BrH.Sb/h3*1H;/q;;;+3/p-3",InChIKey:"RPJGYLSSECYURW-UHFFFAOYSA-K","Exact Mass":359.65677,"Molecular Formula":"Br3Sb","Molecular Weight":361.47,"Monoisotopic Mass":357.65882,Charge:0,"Easy Name":"Antimony tribromide","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"288 °C"},"Color And Form":{Value:"Yellow orthorhombic crystals"},"Critical Temperature And Pressure":{Value:"Critical temperature: 904 °C"},Density:{Value:"4.148 at 23 °C/23 °C"},"Heat Of Vaporization":{Value:"53.2 kJ/mol at 560 °C"},"Melting Point":{Value:"97 °C"},"Refractive Index":{Value:"Index of refraction: 1.74"},Solubility:{Value:"Reacts with water"},Uses:{Value:"Analytical chemistry, mordant, manufacturing antimony salts."},"Vapor Pressure":{Value:"1 mm Hg at 93.9 °C"}},ReducedFormula:"Br3Sb1"},24616:{PUBCHEM:{CID:"24616","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrabromostannane","IUPAC Name CAS-like Style":"Tetrabromostannane","IUPAC Name Markup":"Tetrabromostannane","IUPAC Name Preferred":"Tetrabromostannane","IUPAC Name Systematic":"Tetrakis(bromanyl)stannane","IUPAC Name Traditional":"Tetrabromostannane",InChI:"1S/4BrH.Sn/h4*1H;/q;;;;+4/p-4",InChIKey:"LTSUHJWLSNQKIP-UHFFFAOYSA-J","Exact Mass":439.57145,"Molecular Formula":"Br4Sn","Molecular Weight":438.33,"Monoisotopic Mass":435.57555,Charge:0,"Easy Name":"Tin (IV) bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br4Sn1"},24617:{PUBCHEM:{CID:"24617","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;difluoride","IUPAC Name CAS-like Style":"Calcium;difluoride","IUPAC Name Markup":"Calcium;difluoride","IUPAC Name Preferred":"Calcium;difluoride","IUPAC Name Systematic":"Calcium;difluoride","IUPAC Name Traditional":"Calcium;difluoride",InChI:"1S/Ca.2FH/h;2*1H/q+2;;/p-2",InChIKey:"WUKWITHWXAAZEY-UHFFFAOYSA-L","Exact Mass":77.9593972,"Molecular Formula":"CaF2","Molecular Weight":78.07,"Monoisotopic Mass":77.9593972,Charge:0,"Easy Name":"Calcium fluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"2500 °C"},"Color And Form":{Value:"White powder or cubic crystals"},Density:{Value:"3.18"},"Heat Of Vaporization":{Value:"335 KJ/mol"},"Melting Point":{Value:"1403 °C"},"Refractive Index":{Value:"Index of refraction: 1.4338"},Solubility:{Value:"0.0015 g/100 ml water at 18 °C; slightly sol in dil mineral acids"},Uses:{Value:"... Main primary source of fluorine and its compd. In ferrous metallurgy it is used as a flux to incr fluidity of the slag. ... Synthetic fluorspar is used in the optical industry (transmits UV rays), and pure calcium fluoride used as a catalyst in dehydration and dehydrogenations. Used to fluoridate drinking water."}},ReducedFormula:"Ca1F2"},24620:{PUBCHEM:{CID:"24620","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dioxido(dioxo)molybdenum","IUPAC Name CAS-like Style":"Calcium;dioxido(dioxo)molybdenum","IUPAC Name Markup":"Calcium;dioxido(dioxo)molybdenum","IUPAC Name Preferred":"Calcium;dioxido(dioxo)molybdenum","IUPAC Name Systematic":"Calcium;bis(oxidanidyl)-bis(oxidanylidene)molybdenum","IUPAC Name Traditional":"Calcium;diketo(dioxido)molybdenum",InChI:"1S/Ca.Mo.4O/q+2;;;;2*-1",InChIKey:"BIOOACNPATUQFW-UHFFFAOYSA-N","Exact Mass":201.847653,"Molecular Formula":"CaMoO4","Molecular Weight":200,"Monoisotopic Mass":201.847653,Charge:0,"Easy Name":"Calcium molybdate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1Mo1O4"},24621:{PUBCHEM:{CID:"24621","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxido(dioxo)molybdenum","IUPAC Name CAS-like Style":"Dioxido(dioxo)molybdenum","IUPAC Name Markup":"Dioxido(dioxo)molybdenum","IUPAC Name Preferred":"Dioxido(dioxo)molybdenum","IUPAC Name Systematic":"Bis(oxidanidyl)-bis(oxidanylidene)molybdenum","IUPAC Name Traditional":"Diketo(dioxido)molybdenum",InChI:"1S/Mo.4O/q;;;2*-1",InChIKey:"MEFBJEMVZONFCJ-UHFFFAOYSA-N","Exact Mass":161.885062,"Molecular Formula":"MoO4-2","Molecular Weight":159.9,"Monoisotopic Mass":161.885062,Charge:-2,"Easy Name":"Molybdate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2Mo1O4"},24622:{PUBCHEM:{CID:"24622","Compound Complexity":35.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,1-trichloropropane","IUPAC Name CAS-like Style":"1,1,1-trichloropropane","IUPAC Name Markup":"1,1,1-trichloropropane","IUPAC Name Preferred":"1,1,1-trichloropropane","IUPAC Name Systematic":"1,1,1-tris(chloranyl)propane","IUPAC Name Traditional":"1,1,1-trichloropropane",InChI:"1S/C3H5Cl3/c1-2-3(4,5)6/h2H2,1H3",InChIKey:"AVGQTJUPLKNPQP-UHFFFAOYSA-N","Log P":3,"Exact Mass":145.945683,"Molecular Formula":"C3H5Cl3","Molecular Weight":147.43,"Monoisotopic Mass":145.945683,Charge:0,"Easy Name":"1, 1, 1-TRICHLOROPROPANE","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3Cl3H5"},24631:{PUBCHEM:{CID:"24631","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetraiodostannane","IUPAC Name CAS-like Style":"Tetraiodostannane","IUPAC Name Markup":"Tetraiodostannane","IUPAC Name Preferred":"Tetraiodostannane","IUPAC Name Systematic":"Tetrakis(iodanyl)stannane","IUPAC Name Traditional":"Tetraiodostannane",InChI:"1S/4HI.Sn/h4*1H;/q;;;;+4/p-4",InChIKey:"QPBYLOWPSRZOFX-UHFFFAOYSA-J","Exact Mass":627.5201,"Molecular Formula":"I4Sn","Molecular Weight":626.33,"Monoisotopic Mass":627.5201,Charge:0,"Easy Name":"Tin (IV) iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I4Sn1"},24634:{PUBCHEM:{CID:"24634","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Difluorocadmium","IUPAC Name CAS-like Style":"Difluorocadmium","IUPAC Name Markup":"Difluorocadmium","IUPAC Name Preferred":"Difluorocadmium","IUPAC Name Systematic":"Bis(fluoranyl)cadmium","IUPAC Name Traditional":"Difluorocadmium",InChI:"1S/Cd.2FH/h;2*1H/q+2;;/p-2",InChIKey:"LVEULQCPJDDSLD-UHFFFAOYSA-L","Exact Mass":151.900171,"Molecular Formula":"CdF2","Molecular Weight":150.41,"Monoisotopic Mass":151.900171,Charge:0,"Easy Name":"Cadmium fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cd1F2"},24635:{PUBCHEM:{CID:"24635","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cadmium(2+);diiodide","IUPAC Name CAS-like Style":"Cadmium(2+);diiodide","IUPAC Name Markup":"Cadmium(2+);diiodide","IUPAC Name Preferred":"Cadmium(2+);diiodide","IUPAC Name Systematic":"Cadmium(2+);diiodide","IUPAC Name Traditional":"Cadmium(2+);diiodide",InChI:"1S/Cd.2HI/h;2*1H/q+2;;/p-2",InChIKey:"OKIIEJOIXGHUKX-UHFFFAOYSA-L","Exact Mass":367.71231,"Molecular Formula":"CdI2","Molecular Weight":366.22,"Monoisotopic Mass":367.71231,Charge:0,"Easy Name":"Cadmium iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cd1I2"},24636:{PUBCHEM:{CID:"24636","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cerium(3+);trichloride","IUPAC Name CAS-like Style":"Cerium(3+);trichloride","IUPAC Name Markup":"Cerium(3+);trichloride","IUPAC Name Preferred":"Cerium(3+);trichloride","IUPAC Name Systematic":"Cerium(3+);trichloride","IUPAC Name Traditional":"Cerium(3+);trichloride",InChI:"1S/Ce.3ClH/h;3*1H/q+3;;;/p-3",InChIKey:"VYLVYHXQOHJDJL-UHFFFAOYSA-K","Exact Mass":244.812,"Molecular Formula":"CeCl3","Molecular Weight":246.47,"Monoisotopic Mass":244.812,Charge:0,"Easy Name":"Cerium (III) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ce1Cl3"},24637:{PUBCHEM:{CID:"24637","Compound Complexity":8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trifluoro-lambda3-chlorane","IUPAC Name CAS-like Style":"Trifluoro-lambda3-chlorane","IUPAC Name Markup":"Trifluoro-λ3-chlorane","IUPAC Name Preferred":"Trifluoro-lambda3-chlorane","IUPAC Name Systematic":"Tris(fluoranyl)-lambda3-chlorane","IUPAC Name Traditional":"Trifluoro-lambda3-chlorane",InChI:"1S/ClF3/c2-1(3)4",InChIKey:"JOHWNGGYGAVMGU-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":91.9640622,"Molecular Formula":"ClF3","Molecular Weight":92.45,"Monoisotopic Mass":91.9640622,Charge:0,"Easy Name":"Chlorine trifluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"11.75 °C"},"Color And Form":{Value:"COLORLESS GAS; LIQUID IS YELLOW-GREEN IN COLOR; SOLID IS WHITE"},"Critical Temperature And Pressure":{Value:"Critical temperature = 154.5 °C"},Density:{Value:"1.825 g/mL @ boiling point (liquid)"},"Heat Of Vaporization":{Value:"27.50 kJ/mol"},"Melting Point":{Value:"-76.34 °C"},"NFPA Hazard Classification":{Value:"4-0-3"},Odor:{Value:"SOMEWHAT SWEET, SUFFOCATING ODOR"},Solubility:{Value:"decomposes in cold and hot water"},Uses:{Value:"FLUORINATING AGENT; IN NUCLEAR REACTOR FUEL PROCESSING; INCENDIARY; IGNITER & PROPELLANT FOR ROCKETS; PYROLYSIS INHIBITOR FOR FLUOROCARBON POLYMERS"},"Vapor Density":{Value:"More than three times that of air"},"Vapor Pressure":{Value:"10 mm Hg at -71.8 °C; 400 mm Hg at -4.9 °C; 760 mm Hg at 11.5 °C"},Viscosity:{Value:"0.448 mPa-s @ 290 deg K (liquid)"}},ReducedFormula:"Cl1F3"},24638:{PUBCHEM:{CID:"24638","Compound Complexity":92.6,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfurochloridic acid","IUPAC Name CAS-like Style":"Sulfurochloridic acid","IUPAC Name Markup":"Sulfurochloridic acid","IUPAC Name Preferred":"Sulfurochloridic acid","IUPAC Name Systematic":"Sulfurochloridic acid","IUPAC Name Traditional":"Sulfurochloridic acid",InChI:"1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)",InChIKey:"XTHPWXDJESJLNJ-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":115.9334928,"Molecular Formula":"ClHO3S","Molecular Weight":116.53,"Monoisotopic Mass":115.9334928,Charge:0,"Easy Name":"Chlorosulfuric acid","Easy Category":"Inorganic acids"},HSDB:{"Boiling Point":{Value:"151-152 °C AT 755 MM HG; 74-75 °C AT 19 MM HG; 60-64 °C AT 2-4 MM HG"},"Color And Form":{Value:"COLORLESS OR SLIGHTLY YELLOW LIQUID"},Density:{Value:"SPECIFIC GRAVITY: 1.76-1.77 AT 20 °C/20 °C; 1.784 AT 0 °C/4 °C; 1.753 AT 20 °C/4 °C."},"Heat Of Vaporization":{Value:"198 btu/lb= 110 cal/g= 4.6X10+5 J/kg (est)"},"Melting Point":{Value:"-80 °C"},"NFPA Hazard Classification":{Value:"4-0-2- ̵W̵"},Odor:{Value:"PUNGENT"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.437 AT 14 °C/D"},Solubility:{Value:"/COMMON SOLVENTS INCLUDE/ LIQUID SULFUR DIOXIDE, PYRIDINE, & DICHLOROETHANE."},Uses:{Value:"CHEM INT FOR DYES, PESTICIDES INCL DISUL & TEDION, ION-EXCHANGE RESINS, PHARMACEUTICALS INCL SULFA DRUGS & SACCHARIN, ALKYL SULFATE SURFACTANTS, ALKYLPHENOL ETHOXYLATE SULFATE SURFACTANTS; COMPONENT OF FS MILITARY SCREENING SMOKE."},"Vapor Density":{Value:"4.02 (AIR= 1)"},"Vapor Pressure":{Value:"1 MM HG AT 32 °C"}},ReducedFormula:"Cl1H1O3S1"},24640:{PUBCHEM:{CID:"24640","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/ClI/c1-2",InChIKey:"QZRGKCOWNLSUDK-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":161.87332,"Molecular Formula":"ClI","Molecular Weight":162.36,"Monoisotopic Mass":161.87332,Charge:0,"Easy Name":"Iodine monochloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"97 °C, DECOMP"},"Color And Form":{Value:"BLACK CRYSTALS OR REDDISH-BROWN LIQ"},Density:{Value:"3.10 @ 29 °C/4 °C"},"Melting Point":{Value:"ALPHA 27.2; BETA 13.9 °C"},Solubility:{Value:"SOL IN WATER, ALC, ETHER, CARBON DISULFIDE, ACETIC ACID"},Uses:{Value:"IN WIJS' SOLN TO DETERMINE IODINE VALUES OF FATS & OILS; TOPICAL ANTI-INFECTIVE"}},ReducedFormula:"Cl1I1"},24641:{PUBCHEM:{CID:"24641","Compound Complexity":36.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;dichlorate","IUPAC Name CAS-like Style":"Strontium;dichlorate","IUPAC Name Markup":"Strontium;dichlorate","IUPAC Name Preferred":"Strontium;dichlorate","IUPAC Name Systematic":"Strontium;dichlorate","IUPAC Name Traditional":"Strontium;dichlorate",InChI:"1S/2ClHO3.Sr/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",InChIKey:"FRTABACCYANHFP-UHFFFAOYSA-L","Exact Mass":253.8128054,"Molecular Formula":"Cl2O6Sr","Molecular Weight":254.5,"Monoisotopic Mass":253.8128054,Charge:0,"Easy Name":"Strontium chlorate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"COLORLESS OR WHITE CRYSTALS"},Density:{Value:"3.15 g/cu-cm"},"Melting Point":{Value:"120 °C (Decomp)"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.516, 1.605, & 1.626"},Solubility:{Value:"174.9 G/100 ML WATER AT 18 °C"},Uses:{Value:"MFR OF RED-FIRE & OTHER PYROTECHNICS; IN TRACER BULLETS"}},ReducedFormula:"Cl2O6Sr1"},24642:{PUBCHEM:{CID:"24642","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chlorothallium","IUPAC Name CAS-like Style":"Chlorothallium","IUPAC Name Markup":"Chlorothallium","IUPAC Name Preferred":"Chlorothallium","IUPAC Name Systematic":"Chloranylthallium","IUPAC Name Traditional":"Chlorothallium",InChI:"1S/ClH.Tl/h1H;/q;+1/p-1",InChIKey:"GBECUEIQVRDUKB-UHFFFAOYSA-M","Exact Mass":239.94328,"Molecular Formula":"ClTl","Molecular Weight":239.84,"Monoisotopic Mass":239.94328,Charge:0,"Easy Name":"Thallium (I) chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"720 °C"},"Color And Form":{Value:"WHITE, CRYSTALLINE POWDER"},Density:{Value:"7.004 @ 30 °C/4 °C"},"Melting Point":{Value:"430 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.247"},Solubility:{Value:"0.29 g/100 cc cold water @ 15.5 °C; 2.41 g/100 cc hot water @ 99.35 °C"},Uses:{Value:"AS CATALYST IN CHLORINATIONS"}},ReducedFormula:"Cl1Tl1"},24646:{PUBCHEM:{CID:"24646","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloro hypochlorite","IUPAC Name CAS-like Style":"Hypochlorous acid chloro ester","IUPAC Name Markup":"Chloro hypochlorite","IUPAC Name Preferred":"Chloro hypochlorite","IUPAC Name Systematic":"Chloranyl hypochlorite","IUPAC Name Traditional":"Hypochlorous acid chloro ester",InChI:"1S/Cl2O/c1-3-2",InChIKey:"RCJVRSBWZCNNQT-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":85.93262,"Molecular Formula":"Cl2O","Molecular Weight":86.9,"Monoisotopic Mass":85.93262,Charge:0,"Easy Name":"Dichlorine monoxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"2.2 °C"},"Color And Form":{Value:"Reddish-brown liquid"},Density:{Value:"3.552 g/L"},"Heat Of Vaporization":{Value:"26.3 kJ/mol"},"Melting Point":{Value:"-120.6 °C"},"NFPA Hazard Classification":{Value:"3-4-3"},Odor:{Value:"Disagreeable, penetrating odor"},Solubility:{Value:"Very soluble in water"}},ReducedFormula:"Cl2O1"},24647:{PUBCHEM:{CID:"24647","Compound Complexity":29,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/Cl2OSe/c1-4(2)3",InChIKey:"LIRMPIXWGWLNND-UHFFFAOYSA-N","Exact Mass":165.84914,"Molecular Formula":"Cl2OSe","Molecular Weight":165.9,"Monoisotopic Mass":165.84914,Charge:0,"Easy Name":"Selenium oxydichloride","Easy Category":"Oxohalides"},HSDB:{"Boiling Point":{Value:"180 °C"},"Color And Form":{Value:"Nearly colorless or yellowish liquid"},"Critical Temperature And Pressure":{Value:"Critical temp: 730 K; critical pressure: 7.09 MPa"},Density:{Value:"2.44 g/cu cm at 16 °C/4 °C"},"Melting Point":{Value:"8.5 °C"},Odor:{Value:"Pungent odor"},"Refractive Index":{Value:"Index of refraction: 1.651 at 20 °C/D"},Solubility:{Value:"Miscible with carbon tetrachloride, chloroform, carbon disulfide, benzene, toluene"},Uses:{Value:"Chlorinating agent and resin plasticizer used in the chemical industry"},"Vapor Density":{Value:"5.7 (air = 1)"},"Vapor Pressure":{Value:"1 mm Hg at 34.8 °C"}},ReducedFormula:"Cl2O1Se1"},24648:{PUBCHEM:{CID:"24648","Compound Complexity":85.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfuryl chloride","IUPAC Name CAS-like Style":"Sulfuryl dichloride","IUPAC Name Markup":"Sulfuryl dichloride","IUPAC Name Preferred":"Sulfuryl dichloride","IUPAC Name Systematic":"Sulfuryl dichloride","IUPAC Name Traditional":"Sulfuryl chloride",InChI:"1S/Cl2O2S/c1-5(2,3)4",InChIKey:"YBBRCQOCSYXUOC-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":133.8996058,"Molecular Formula":"Cl2O2S","Molecular Weight":134.97,"Monoisotopic Mass":133.8996058,Charge:0,"Easy Name":"Sulfuryl chloride","Easy Category":"Acyl chloride"},HSDB:{"Boiling Point":{Value:"69.3 °C"},"Color And Form":{Value:"Colorless, mobile liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 269-276 °C"},Density:{Value:"1.6674 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"27.95 kJ/mol"},"Melting Point":{Value:"-54.1 °C"},Odor:{Value:"Very pungent odor"},"Refractive Index":{Value:"Index of refraction: 1.4437 at 20 degC/D"},Solubility:{Value:"Miscible with benzene, toluene, ether, glacial acetic acid, and other org solvents"},Uses:{Value:"Treating wool to prevent shrinking"},"Vapor Density":{Value:"4.6 (Air = 1)"},"Vapor Pressure":{Value:"140 mm Hg at 25 °C (est)"},Viscosity:{Value:"0.918 mPa-s at 0 °C; 0.595 mPa-s at 37.8 °C"}},ReducedFormula:"Cl2O2S1"},24649:{PUBCHEM:{CID:"24649","Compound Complexity":227,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":2,InChI:"1S/Cl2O5S2/c1-8(3,4)7-9(2,5)6",InChIKey:"NNTJKSMVNWGFTB-UHFFFAOYSA-N","Log P":.8,"Exact Mass":213.8564208,"Molecular Formula":"Cl2O5S2","Molecular Weight":215,"Monoisotopic Mass":213.8564208,Charge:0,"Easy Name":"Disulfuryl chloride","Easy Category":"Oxohalides"},HSDB:{"Boiling Point":{Value:"151 °C"},"Color And Form":{Value:"COLORLESS, MOBILE LIQ"},Density:{Value:"1.837"},"Melting Point":{Value:"-37 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.937 @ 20 °C"},Uses:{Value:"ORG SYNTHESIS"}},ReducedFormula:"Cl2O5S2"},24654:{PUBCHEM:{CID:"24654","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrazine;hydrate","IUPAC Name CAS-like Style":"Hydrazine;hydrate","IUPAC Name Markup":"Hydrazine;hydrate","IUPAC Name Preferred":"Hydrazine;hydrate","IUPAC Name Systematic":"Diazane;hydrate","IUPAC Name Traditional":"Hydrazine;hydrate",InChI:"1S/H4N2.H2O/c1-2;/h1-2H2;1H2",InChIKey:"IKDUDTNKRLTJSI-UHFFFAOYSA-N","Exact Mass":50.048012822,"Molecular Formula":"H6N2O","Molecular Weight":50.061,"Monoisotopic Mass":50.048012822,Charge:0,"Easy Name":"Hydrazine hydrate","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"H6N2O1"},24667:{PUBCHEM:{CID:"24667","Compound Complexity":320,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"2-tert-butyl-4-methoxy-phenol;3-tert-butyl-4-methoxy-phenol","IUPAC Name CAS-like Style":"2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol","IUPAC Name Markup":"2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol","IUPAC Name Preferred":"2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol","IUPAC Name Systematic":"2-tert-butyl-4-methoxy-phenol;3-tert-butyl-4-methoxy-phenol","IUPAC Name Traditional":"2-tert-butyl-4-methoxy-phenol;3-tert-butyl-4-methoxy-phenol",InChI:"1S/2C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-11(2,3)9-7-8(12)5-6-10(9)13-4/h2*5-7,12H,1-4H3",InChIKey:"CZBZUDVBLSSABA-UHFFFAOYSA-N","Exact Mass":360.23005951,"Molecular Formula":"C22H32O4","Molecular Weight":360.5,"Monoisotopic Mass":360.23005951,Charge:0,"Easy Name":"Butylated hydroxyanisole","Easy Category":"Antioxidant"},HSDB:{"Boiling Point":{Value:"268 °C"},"Color And Form":{Value:"White or slightly yellow waxy solid"},"Melting Point":{Value:"51 °C"},Odor:{Value:"Faint characteristic odor"},Solubility:{Value:"In water, 210 mg/L at 25 °C (est)"},Uses:{Value:"BHA is particularly useful in protecting the flavors and color of essential oils and is considered the most effective of all food-approved antioxidants for this application. BHA is particularly effective in controlling the oxidation of short-chain fatty acids, such as those found in coconut and palm kernel oils that are used typically in cereal and confectionary products."},"Vapor Pressure":{Value:"2.34X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"C22H32O4"},24671:{PUBCHEM:{CID:"24671","Compound Complexity":853,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Disodium;2-(1,3-dioxoindan-2-yl)quinoline-6,8-disulfonate","IUPAC Name CAS-like Style":"Disodium;2-(1,3-dioxo-2-indenyl)quinoline-6,8-disulfonate","IUPAC Name Markup":"Disodium;2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate","IUPAC Name Preferred":"Disodium;2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate","IUPAC Name Systematic":"Disodium;2-[1,3-bis(oxidanylidene)inden-2-yl]quinoline-6,8-disulfonate","IUPAC Name Traditional":"Disodium;2-(1,3-diketoindan-2-yl)quinoline-6,8-disulfonate",InChI:"1S/C18H11NO8S2.2Na/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27;;/h1-8,15H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",InChIKey:"FZUOVNMHEAPVBW-UHFFFAOYSA-L","Exact Mass":476.95649716,"Molecular Formula":"C18H9NNa2O8S2","Molecular Weight":477.4,"Monoisotopic Mass":476.95649716,Charge:0,"Easy Name":"Quinoline Yellow WS","Easy Category":"Dye"},HSDB:{"Color And Form":{Value:"Yellow powder"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 1.28X10+5 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"4.11X10-22 mm Hg at 25 °C (est)"}},ReducedFormula:"C18H9N1Na2O8S2"},24682:{PUBCHEM:{CID:"24682","Compound Complexity":61.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfur trioxide","IUPAC Name CAS-like Style":"Sulfur trioxide","IUPAC Name Markup":"Sulfur trioxide","IUPAC Name Preferred":"Sulfur trioxide","IUPAC Name Systematic":"Sulfur trioxide","IUPAC Name Traditional":"Sulfur trioxide",InChI:"1S/O3S/c1-4(2)3",InChIKey:"AKEJUJNQAAGONA-UHFFFAOYSA-N","Log P":-.5,"Exact Mass":79.95681503,"Molecular Formula":"O3S","Molecular Weight":80.07,"Monoisotopic Mass":79.95681503,Charge:0,"Easy Name":"Sulfur trioxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"White needles"},"Critical Temperature And Pressure":{Value:"Critical temperature: 491.0 K; critical pressure: 8.2 Mpa"},Density:{Value:"Critical density: 0.630 g/cu cm"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of sulfur trioxide stem from its toxicologic properties and reactivity. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this colorless-to-white, crystalline solid may occur from its use in the sulfonation of oils and detergents, in the manufacture of sulfuric acid and explosives, and in solar energy collectors. Effects from exposure may include burns to the eyes, skin, and mucous membranes, shortness-of-breath, chest pain, and pulmonary edema. In activities and situations where over-exposure may occur, wear chemical protective clothing and a self-contained breathing apparatus. If contact should occur, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Contaminated clothing should be removed and left at the worksite for cleaning. While sulfur trioxide itself burns with great difficulty, it may react violently (explosively) with water, giving off heat and light. Also, organic materials, particularly those containing adsorbed or absorbed moisture, may be ignited by sulfur trioxide. For fires involving sulfur trioxide, extinguish with agent suitable for surrounding materials. If water is used, apply in flooding quantities as a fog, and from as far a distance as possible. Use dikes to prevent sulfur trioxide from entering water sources and sewers. Sulfur trioxide may be shipped domestically via air (cargo only), rail (cargo only), road, and water, in containers bearing the label, "Corrosive." Sulfur trioxide should be stored in air-tight containers, away from moisture. Before implementing land disposal of sulfur trioxide waste, consult with environmental regulatory agencies for guidance.'},"Heat Of Vaporization":{Value:"43.14 kJ/mol at 25 °C"},"Melting Point":{Value:"62.2 °C"},Solubility:{Value:"Slowly very sol in aqueous, and sol in 100 parts water at room temp"},Uses:{Value:"Intermediate in sulfuric acid manufacture; in sulfonations for formation of addition cmpd with amines; in the manufacture of explosives"},"Vapor Density":{Value:"2.76 (Air = 1)"},"Vapor Pressure":{Value:"263 mm Hg at 25 °C (est)"}},ReducedFormula:"O3S1"},24712:{PUBCHEM:{CID:"24712","Compound Complexity":758,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":3,"Rotatable Bond":12,"IUPAC Name Allowed":"3-(2-hydroxy-3-methoxy-phenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]propane-1-sulfonic acid","IUPAC Name CAS-like Style":"3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]-1-propanesulfonic acid","IUPAC Name Markup":"3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]propane-1-sulfonic acid","IUPAC Name Preferred":"3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]propane-1-sulfonic acid","IUPAC Name Systematic":"3-(3-methoxy-2-oxidanyl-phenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]propane-1-sulfonic acid","IUPAC Name Traditional":"3-(2-hydroxy-3-methoxy-phenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]propane-1-sulfonic acid",InChI:"1S/C20H26O10S2/c1-28-18-7-3-6-15(20(18)21)12-16(13-32(25,26)27)30-17-9-8-14(11-19(17)29-2)5-4-10-31(22,23)24/h3,6-9,11,16,21H,4-5,10,12-13H2,1-2H3,(H,22,23,24)(H,25,26,27)",InChIKey:"FOGYNLXERPKEGN-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":490.09673938,"Molecular Formula":"C20H26O10S2","Molecular Weight":490.5,"Monoisotopic Mass":490.09673938,Charge:0,"Easy Name":"Lignosulfonic Acid","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H26O10S2"},24743:{PUBCHEM:{CID:"24743","Compound Complexity":369,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate","IUPAC Name CAS-like Style":"N-[3-[anilino(oxo)methoxy]phenyl]carbamic acid ethyl ester","IUPAC Name Markup":"[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate","IUPAC Name Preferred":"[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate","IUPAC Name Systematic":"[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate","IUPAC Name Traditional":"N-phenylcarbamic acid [3-(carbethoxyamino)phenyl] ester",InChI:"1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)",InChIKey:"WZJZMXBKUWKXTQ-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":300.111007,"Molecular Formula":"C16H16N2O4","Molecular Weight":300.31,"Monoisotopic Mass":300.111007,Charge:0,"Easy Name":"Desmedipham","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C16H16N2O4"},24758:{PUBCHEM:{CID:"24758","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;hydride","IUPAC Name CAS-like Style":"Sodium;hydride","IUPAC Name Markup":"Sodium;hydride","IUPAC Name Preferred":"Sodium;hydride","IUPAC Name Systematic":"Sodium;hydride","IUPAC Name Traditional":"Sodium;hydride",InChI:"1S/Na.H/q+1;-1",InChIKey:"BZKBCQXYZZXSCO-UHFFFAOYSA-N","Exact Mass":23.99759431,"Molecular Formula":"HNa","Molecular Weight":23.9977,"Monoisotopic Mass":23.99759431,Charge:0,"Easy Name":"Sodium hydride","Easy Category":"Hydride"},HSDB:{"Color And Form":{Value:"MICROCRYSTALLINE, WHITE TO BROWNISH-GRAY POWDER"},Density:{Value:"0.92"},"Melting Point":{Value:"DECOMP AT 800 °C"},"NFPA Hazard Classification":{Value:"3-3-2- ̵W̵"},Odor:{Value:"odorless"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.470"},Solubility:{Value:"SOL IN MOLTEN SODIUM HYDROXIDE"},Uses:{Value:"CONDENSING OR ALKYLATING AGENT, ESPECIALLY FOR AMINES; DESCALING METALS"}},ReducedFormula:"H1Na1"},24762:{PUBCHEM:{CID:"24762","Compound Complexity":241,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":19,"IUPAC Name Allowed":"2-hydroxyethyl octadecanoate","IUPAC Name CAS-like Style":"Octadecanoic acid 2-hydroxyethyl ester","IUPAC Name Markup":"2-hydroxyethyl octadecanoate","IUPAC Name Preferred":"2-hydroxyethyl octadecanoate","IUPAC Name Systematic":"2-hydroxyethyl octadecanoate","IUPAC Name Traditional":"Stearic acid 2-hydroxyethyl ester",InChI:"1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3",InChIKey:"RFVNOJDQRGSOEL-UHFFFAOYSA-N","Log P":7.8,"Exact Mass":328.29774515,"Molecular Formula":"C20H40O3","Molecular Weight":328.5,"Monoisotopic Mass":328.29774515,Charge:0,"Easy Name":"Glycol stearate","Easy Category":"Ester"},HSDB:{"Color And Form":{Value:"CREAM-COLORED SOFT, WAXY OR PASTY SOLID @ 25 °C"},Odor:{Value:"FAINT FATTY ODOR"},Solubility:{Value:"GENERALLY SOL OR DISPERSIBLE IN WATER"},Taste:{Value:"SLIGHTLY BITTER, FATTY TASTE"},Uses:{Value:"SURFACTANT"}},ReducedFormula:"C20H40O3"},24764:{PUBCHEM:{CID:"24764","Compound Complexity":76.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Trimethyl(trimethylsilyloxy)silane","IUPAC Name CAS-like Style":"Trimethyl(trimethylsilyloxy)silane","IUPAC Name Markup":"Trimethyl(trimethylsilyloxy)silane","IUPAC Name Preferred":"Trimethyl(trimethylsilyloxy)silane","IUPAC Name Systematic":"Trimethyl(trimethylsilyloxy)silane","IUPAC Name Traditional":"Trimethyl(trimethylsilyloxy)silane",InChI:"1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",InChIKey:"UQEAIHBTYFGYIE-UHFFFAOYSA-N","Exact Mass":162.08961827,"Molecular Formula":"C6H18OSi2","Molecular Weight":162.38,"Monoisotopic Mass":162.08961827,Charge:0,"Easy Name":"Hexamethyldisiloxane","Easy Category":"Organic compound"},HSDB:{"Boiling Point":{Value:"99 °C"},"Color And Form":{Value:"FLUID"},"Critical Temperature And Pressure":{Value:"Critical temperature: 245 °C"},Density:{Value:"0.7638 at 20 °C"},"Melting Point":{Value:"-66 °C"},"Refractive Index":{Value:"Index of Refraction: 1.3774 at 20 °C"},Solubility:{Value:"In water, 0.93 mg/L at 25 °C"},Uses:{Value:"Hydraulic fluid /Organo Silicate MLO 5277/"},"Vapor Pressure":{Value:"42 mm Hg at 25 °C (est)"},Viscosity:{Value:"0.51 centistokes at 20 °C"}},ReducedFormula:"C6H18O1Si2"},24781:{PUBCHEM:{CID:"24781","Compound Complexity":128,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"5-methylisoxazol-3-one","IUPAC Name CAS-like Style":"5-methyl-3-isoxazolone","IUPAC Name Markup":"5-methyl-1,2-oxazol-3-one","IUPAC Name Preferred":"5-methyl-1,2-oxazol-3-one","IUPAC Name Systematic":"5-methyl-1,2-oxazol-3-one","IUPAC Name Traditional":"5-methyl-4-isoxazolin-3-one",InChI:"1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)",InChIKey:"KGVPNLBXJKTABS-UHFFFAOYSA-N","Log P":.1,"Exact Mass":99.032028405,"Molecular Formula":"C4H5NO2","Molecular Weight":99.09,"Monoisotopic Mass":99.032028405,Charge:0,"Easy Name":"Hymexazol","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H5N1O2"},24798:{PUBCHEM:{CID:"24798","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dinitrate","IUPAC Name CAS-like Style":"Barium(2+);dinitrate","IUPAC Name Markup":"Barium(2+);dinitrate","IUPAC Name Preferred":"Barium(2+);dinitrate","IUPAC Name Systematic":"Barium(2+);dinitrate","IUPAC Name Traditional":"Barium(2+);dinitrate",InChI:"1S/Ba.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"IWOUKMZUPDVPGQ-UHFFFAOYSA-N","Exact Mass":261.880883,"Molecular Formula":"BaN2O6","Molecular Weight":261.34,"Monoisotopic Mass":261.880883,Charge:0,"Easy Name":"Barium nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White cubic crystals"},Density:{Value:"3.24 g/cu cm"},"Melting Point":{Value:"590 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"10.3 g/100 g water at 25 °C"},Uses:{Value:"Manufacture of barium oxide (BaO2); pyrotechnics for green fire; green signal lights; in vacuum tube industry"}},ReducedFormula:"Ba1N2O6"},24807:{PUBCHEM:{CID:"24807","Compound Complexity":6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chlorosulfanyl thiohypochlorite","IUPAC Name CAS-like Style":"Thiohypochlorous acid (chlorothio) ester","IUPAC Name Markup":"Chlorosulfanyl thiohypochlorite","IUPAC Name Preferred":"Chlorosulfanyl thiohypochlorite","IUPAC Name Systematic":"Chloranylsulfanyl thiohypochlorite","IUPAC Name Traditional":"Thiohypochlorous acid (chlorothio) ester",InChI:"1S/Cl2S2/c1-3-4-2",InChIKey:"PXJJSXABGXMUSU-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":133.8818477,"Molecular Formula":"Cl2S2","Molecular Weight":135,"Monoisotopic Mass":133.8818477,Charge:0,"Easy Name":"Disulfur dichloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"137 °C"},"Color And Form":{Value:"Light amber to yellowish red oily liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 392 °C"},Density:{Value:"1.6885 at 15.5 °C/15.5 °C"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of sulfur monochloride stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this yellowish-red, strong smelling, oily liquid may occur from its use as an intermediate and chlorinating agent in the manufacture of high pressure lubricants and cutting oils, sulfur dyes, and insecticides, as a cross-linking catalyst in polymer technology, as a solvent for sulfur compounds, as a rubber extender, and in the purification of sugar juices. Effects from exposure may include headache, dizziness, nausea, burns to the skin and eyes, shortness of breath, respiratory irritation, pulmonary edema, respiratory distress and failure. OSHA has established a Ceiling limit of 1 ppm as a final standard to become effective December 31, 1992. In activities and situations where over-exposure may occur, wear a self-contained breathing apparatus with a full facepiece, and chemical resistant protective clothing specifically recommended by the shipper or producer. If contact should occur, immediately irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Facilities for quick drenching of the body should be provided in sulfur monochloride work areas. Contaminated clothing should be removed and left at the worksite for cleaning. While sulfur monochloride does not ignite easily, it may ignite other combustible materials (eg, wood, paper, oil). Also, it may create an explosion hazard if its heavier-than-air vapor is allowed to accumulate in confined spaces such as sewers. For fires involving sulfur monochloride, extinguish with dry chemical, CO2, or Halon. Because sulfur monochloride may react with water, use water only if large quantities of combustibles are involved. If water is used, apply it in flooding quantities as spray or fog, from as far a distance as possible. Sulfur monochloride should be stored in a cool, well ventilated area, away from moisture, sources of ignition, combustibles, and oxidizers. This material is readily hydrolyzed by water, becoming highly corrosive to metals. Sulfur monochloride may be shipped via air, rail, road, and water, in stainless steel containers bearing the label, "Corrosive." Transport on passenger carrying aircraft or railcars is forbidden. Spills of sulfur monochloride on land should first be diked with soil, sand bags, foamed polyurethane, or foamed concrete; the bulk liquid absorbed with fly ash or cement powder (water spray or mist may need to be applied to knock down vapor); and soda ash or slaked lime applied for neutralization. Spills in bodies of water should be neutralized with agricultural lime, crushed limestone, or sodium bicarbonate, then mechanical dredges or lifts used to remove the immobilized masses of pollutants and precipitates. Before implementing land disposal of sulfur monochloride waste, consult with environmental regulatory agencies for guidance.'},"Heat Of Vaporization":{Value:"3.6401X10+4 J/mole"},"Melting Point":{Value:"-77 °C"},"NFPA Hazard Classification":{Value:"3-1-1"},Odor:{Value:"Suffocating odor"},"Refractive Index":{Value:"Index of refraction: 1.670 at 20 °C/D"},Solubility:{Value:"Sol in alc, benzene, ether, carbon disulfide, carbon tetrachloride, oils"},Uses:{Value:"Precursor to mustard gas, lewisite 1, arsenic trichloride, and thionyl chloride."},"Vapor Density":{Value:"4.66 (Air = 1)"},"Vapor Pressure":{Value:"10 mm Hg at 27.5 °C"},Viscosity:{Value:"0.978 cP"}},ReducedFormula:"Cl2S2"},24809:{PUBCHEM:{CID:"24809","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichloroeuropium","IUPAC Name CAS-like Style":"Trichloroeuropium","IUPAC Name Markup":"Trichloroeuropium","IUPAC Name Preferred":"Trichloroeuropium","IUPAC Name Systematic":"Tris(chloranyl)europium","IUPAC Name Traditional":"Trichloroeuropium",InChI:"1S/3ClH.Eu/h3*1H;/q;;;+3/p-3",InChIKey:"NNMXSTWQJRPBJZ-UHFFFAOYSA-K","Exact Mass":257.8278,"Molecular Formula":"Cl3Eu","Molecular Weight":258.32,"Monoisotopic Mass":257.8278,Charge:0,"Easy Name":"Europium (III) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl3Eu1"},24813:{PUBCHEM:{CID:"24813","Compound Complexity":53,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Phosphoryl trichloride","IUPAC Name CAS-like Style":"Phosphoryl trichloride","IUPAC Name Markup":"Phosphoryl trichloride","IUPAC Name Preferred":"Phosphoryl trichloride","IUPAC Name Systematic":"Phosphoryl trichloride","IUPAC Name Traditional":"Phosphoryl trichloride",InChI:"1S/Cl3OP/c1-5(2,3)4",InChIKey:"XHXFXVLFKHQFAL-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":151.875235,"Molecular Formula":"Cl3OP","Molecular Weight":153.33,"Monoisotopic Mass":151.875235,Charge:0,"Easy Name":"Phosphoryl chloride","Easy Category":"Oxohalides"},HSDB:{"Boiling Point":{Value:"105.8 °C"},"Color And Form":{Value:"Clear, colorless to yellow, oily liquid [Note: A solid below 34 degrees F]."},"Critical Temperature And Pressure":{Value:"Critical temperature: 331.8 °C"},Density:{Value:"Specific gravity: 1.645 at 25 °C/4 °C"},"Heat Of Vaporization":{Value:"97 BTU/LB= 54 CAL/G= 2.3X10+5 JOULES/KG"},"Melting Point":{Value:"1.25 °C"},"NFPA Hazard Classification":{Value:"4-0-2- ̵W̵"},Odor:{Value:"Pungent & musty odor"},"Refractive Index":{Value:"Index of refraction: 1.460 at 25 °C/D"},Solubility:{Value:"Reacts with water"},Uses:{Value:"Precursor to N,N-dimethylphosphoramidic dichloride"},"Vapor Density":{Value:"5.3 (Air = 1)"},"Vapor Pressure":{Value:"40 mm Hg at 27.3 °C"}},ReducedFormula:"Cl3O1P1"},24814:{PUBCHEM:{CID:"24814","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichlorostibane","IUPAC Name CAS-like Style":"Trichlorostibine","IUPAC Name Markup":"Trichlorostibane","IUPAC Name Preferred":"Trichlorostibane","IUPAC Name Systematic":"Tris(chloranyl)stibane","IUPAC Name Traditional":"Trichlorostibine",InChI:"1S/3ClH.Sb/h3*1H;/q;;;+3/p-3",InChIKey:"FAPDDOBMIUGHIN-UHFFFAOYSA-K","Exact Mass":225.81037,"Molecular Formula":"Cl3Sb","Molecular Weight":228.11,"Monoisotopic Mass":225.81037,Charge:0,"Easy Name":"Antimony trichloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"220.3 °C"},"Color And Form":{Value:"Colorless orthorhombic crystals"},"Critical Temperature And Pressure":{Value:"Critical temperature: 794 K; critical pressure: 4.8200X10+6 Pa"},Density:{Value:"3.14 g/cu cm"},"Heat Of Vaporization":{Value:"45.19 kJ/mol at 220.3 °C"},"Melting Point":{Value:"73.4 °C"},Odor:{Value:"Acrid pugent odor"},Solubility:{Value:"In water, 987 g/100 g water at 25 °C"},Uses:{Value:"Lewis acid catalyst in organic synthesis; in making other antimony salts. As mordant; in bronzing iron."},"Vapor Pressure":{Value:"1 mm Hg at 49.2 °C (sublimes)"}},ReducedFormula:"Cl3Sb1"},24815:{PUBCHEM:{CID:"24815","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachloroiridium","IUPAC Name CAS-like Style":"Tetrachloroiridium","IUPAC Name Markup":"Tetrachloroiridium","IUPAC Name Preferred":"Tetrachloroiridium","IUPAC Name Systematic":"Tetrakis(chloranyl)iridium","IUPAC Name Traditional":"Tetrachloroiridium",InChI:"1S/4ClH.Ir/h4*1H;/q;;;;+4/p-4",InChIKey:"CALMYRPSSNRCFD-UHFFFAOYSA-J","Exact Mass":334.83538,"Molecular Formula":"Cl4Ir","Molecular Weight":334,"Monoisotopic Mass":332.83833,Charge:0,"Easy Name":"Iridium (IV) Chloride","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Brownish-black mass"},Solubility:{Value:"Soluble in water, alcohol, and dilute hydrochloric acid."},Uses:{Value:"Analysis (testing for nitric acid in the presence of nitrous acid), microscopy, plating solution."}},ReducedFormula:"Cl4Ir1"},24816:{PUBCHEM:{CID:"24816","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachlorosilane","IUPAC Name CAS-like Style":"Tetrachlorosilane","IUPAC Name Markup":"Tetrachlorosilane","IUPAC Name Preferred":"Tetrachlorosilane","IUPAC Name Systematic":"Tetrakis(chloranyl)silane","IUPAC Name Traditional":"Tetrachlorosilane",InChI:"1S/Cl4Si/c1-5(2,3)4",InChIKey:"FDNAPBUWERUEDA-UHFFFAOYSA-N","Exact Mass":169.849387,"Molecular Formula":"Cl4Si","Molecular Weight":169.9,"Monoisotopic Mass":167.852337,Charge:0,"Easy Name":"Silicon tetrachloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"59 °C"},"Color And Form":{Value:"Colorless, clear, mobile, fuming liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 472.5 °F; Critical pressure: 36.8 atmospheres"},Density:{Value:"1.52 @ 0 °C/4 °C"},"Heat Of Vaporization":{Value:"29.7 kJ/mol at 25 °C"},"Melting Point":{Value:"-70 °C"},Odor:{Value:"Suffocating odor"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.412 AT 20 °C/D"},Solubility:{Value:"Miscible with benzene, ether, chloroform, petroleum ether"},Uses:{Value:"PRODUCING SMOKESCREENS IN WARFARE"},"Vapor Density":{Value:"7.59 g/l"},"Vapor Pressure":{Value:"236 mm Hg @ 25 °C /Calculated from experimentally derived coefficients/"}},ReducedFormula:"Cl4Si1"},24817:{PUBCHEM:{CID:"24817","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachlorozirconium","IUPAC Name CAS-like Style":"Tetrachlorozirconium","IUPAC Name Markup":"Tetrachlorozirconium","IUPAC Name Preferred":"Tetrachlorozirconium","IUPAC Name Systematic":"Tetrakis(chloranyl)zirconium","IUPAC Name Traditional":"Tetrachlorozirconium",InChI:"1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4",InChIKey:"DUNKXUFBGCUVQW-UHFFFAOYSA-J","Exact Mass":231.777159,"Molecular Formula":"Cl4Zr","Molecular Weight":233,"Monoisotopic Mass":229.78011,Charge:0,"Easy Name":"Zirconium (IV) chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"331 °C"},"Color And Form":{Value:"Lustrous monoclinic crystals"},"Critical Temperature And Pressure":{Value:"Critical temperature: 778 K (505 °C); critical pressure: 5.77 MPa (4.33X10+4 mm Hg)"},Density:{Value:"2.80 g/cu cm"},"Melting Point":{Value:"437 °C (triple point)"},"NFPA Hazard Classification":{Value:"3-0-2- ̵W̵"},Solubility:{Value:"Decomposed by water to form ZrOCl2 and HCl"},Uses:{Value:"Zirconium tetrachloride has been used as a textile water repellent and as a tanning agent."},"Vapor Pressure":{Value:"Vapor pressure (solid): 1 Pa at 117 °C; 10 Pa at 146 °C; 100 Pa at 181 °C; 1 kPa at 222 °C; 10 kPa at 272 °C; 100 kPa at 336 °C"}},ReducedFormula:"Cl4Zr1"},24822:{PUBCHEM:{CID:"24822","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nobelium","IUPAC Name CAS-like Style":"Nobelium","IUPAC Name Markup":"Nobelium","IUPAC Name Preferred":"Nobelium","IUPAC Name Systematic":"Nobelium","IUPAC Name Traditional":"Nobelium",InChI:"1S/No",InChIKey:"ORQBXQOJMQIAOY-UHFFFAOYSA-N","Exact Mass":259.101,"Molecular Formula":"No","Molecular Weight":259.101,"Monoisotopic Mass":259.101,Charge:0,"Easy Name":"Nobelium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"No1"},24823:{PUBCHEM:{CID:"24823","Compound Complexity":4.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ozone","IUPAC Name CAS-like Style":"Ozone","IUPAC Name Markup":"Ozone","IUPAC Name Preferred":"Ozone","IUPAC Name Systematic":"Ozone","IUPAC Name Traditional":"Ozone",InChI:"1S/O3/c1-3-2",InChIKey:"CBENFWSGALASAD-UHFFFAOYSA-N","Log P":-1.7,"Exact Mass":47.984743859,"Molecular Formula":"O3","Molecular Weight":47.998,"Monoisotopic Mass":47.984743859,Charge:0,"Easy Name":"Ozone","Easy Category":"Simple substances"},HSDB:{"Boiling Point":{Value:"-111.9 °C"},"Color And Form":{Value:"COLORLESS GAS; DARK BLUE LIQ; BLUE-BLACK CRYSTALS"},"Critical Temperature And Pressure":{Value:"CRITICAL TEMP: -12.1 °C; CRITICAL PRESSURE: 53.8 ATM"},Density:{Value:"GAS: 2.144 G/L @ 0 °C; LIQ: 1.614 G/L @ -195.4 °C"},"Melting Point":{Value:"-192.7 + or - 2 °C"},Odor:{Value:"CHARACTERISTIC ODOR IN CONCN LESS THAN 2 PPM"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.2226 (LIQ)"},Solubility:{Value:"49 CC/100 CC WATER AT 0 °C; SOL IN ALKALINE SOLVENTS, OILS"},Uses:{Value:"AS DISINFECTANT FOR AIR AND WATER BY VIRTUE OF ITS OXIDIZING POWER. FOR BLEACHING WAXES, TEXTILES, OILS. IN ORGANIC SYNTHESES."}},ReducedFormula:"O3"},24825:{PUBCHEM:{CID:"24825","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Difluoronickel","IUPAC Name CAS-like Style":"Difluoronickel","IUPAC Name Markup":"Difluoronickel","IUPAC Name Preferred":"Difluoronickel","IUPAC Name Systematic":"Bis(fluoranyl)nickel","IUPAC Name Traditional":"Difluoronickel",InChI:"1S/2FH.Ni/h2*1H;/q;;+2/p-2",InChIKey:"DBJLJFTWODWSOF-UHFFFAOYSA-L","Exact Mass":95.932148,"Molecular Formula":"F2Ni","Molecular Weight":96.69,"Monoisotopic Mass":95.932148,Charge:0,"Easy Name":"Nickel (II) fluoride","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Yellowish to green tetragonal crystals (Rutile type)"},Density:{Value:"4.72"},"Melting Point":{Value:"Sublimes at 1000 °C"},Solubility:{Value:"Insoluble in ethanol and ethyl ether"},Uses:{Value:"IN BATTERY CATHODES"}},ReducedFormula:"F2Ni1"},24826:{PUBCHEM:{CID:"24826","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diferric;trisulfate","IUPAC Name CAS-like Style":"Iron(3+);trisulfate","IUPAC Name Markup":"Iron(3+);trisulfate","IUPAC Name Preferred":"Iron(3+);trisulfate","IUPAC Name Systematic":"Iron(3+);trisulfate","IUPAC Name Traditional":"Diferric;trisulfate",InChI:"1S/2Fe.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"RUTXIHLAWFEWGM-UHFFFAOYSA-H","Exact Mass":399.72506,"Molecular Formula":"Fe2O12S3","Molecular Weight":399.9,"Monoisotopic Mass":399.72506,Charge:0,"Easy Name":"Iron (III) sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Grayish-white powder, or rhombic or rhombohedral crystals"},Density:{Value:"3.097 at 18 °C"},"Melting Point":{Value:"480 °C (decomp)"},"Refractive Index":{Value:"Index of refraction: 1.814"},Solubility:{Value:"Slowly sol in water; rapidly sol in the presence of a trace of ferrous sulfate; sparingly sol in alc; practically insol in acetone, ethyl acetate."},Uses:{Value:"For ferric sulfate (USEPA/OPP Pesticide Code: 034902) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Fe2O12S3"},24833:{PUBCHEM:{CID:"24833","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(1+);sulfate","IUPAC Name CAS-like Style":"Thallium(1+);sulfate","IUPAC Name Markup":"Thallium(1+);sulfate","IUPAC Name Preferred":"Thallium(1+);sulfate","IUPAC Name Systematic":"Thallium(1+);sulfate","IUPAC Name Traditional":"Thallium(1+);sulfate",InChI:"1S/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2",InChIKey:"YTQVHRVITVLIRD-UHFFFAOYSA-L","Exact Mass":505.90058,"Molecular Formula":"O4STl2","Molecular Weight":504.83,"Monoisotopic Mass":505.90058,Charge:0,"Easy Name":"Thallium (I) sulfate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes"},"Color And Form":{Value:"White, rhomboid prisms"},Density:{Value:"6.77"},"Melting Point":{Value:"632 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.860, 1.867, 1.885"},Solubility:{Value:"Solubility in 100 ml water at 0 °C: 2.70 g, at 20 °C: 4.87 g, at 100 °C: 18.45 g"},Uses:{Value:"As a rat poison /former/, as an ant bait /former/, and as a reagent in analytical chemistry."},"Vapor Pressure":{Value:"Zero"}},ReducedFormula:"O4S1Tl2"},24840:{PUBCHEM:{CID:"24840","Compound Complexity":95.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;diperchlorate","IUPAC Name CAS-like Style":"Magnesium;diperchlorate","IUPAC Name Markup":"Magnesium;diperchlorate","IUPAC Name Preferred":"Magnesium;diperchlorate","IUPAC Name Systematic":"Magnesium;diperchlorate","IUPAC Name Traditional":"Magnesium;diperchlorate",InChI:"1S/2ClHO4.Mg/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",InChIKey:"MPCRDALPQLDDFX-UHFFFAOYSA-L","Exact Mass":221.882064,"Molecular Formula":"Cl2MgO8","Molecular Weight":223.2,"Monoisotopic Mass":221.882064,Charge:0,"Easy Name":"Magnesium perchlorate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, granular, or flaky powder"},Density:{Value:"2.2"},"Melting Point":{Value:"Decomposes at 250 °C"},"NFPA Hazard Classification":{Value:"1-0-0"},Odor:{Value:"Odorless"},Solubility:{Value:"99.3 G/100 CC OF H20 & 23.96 G/100 CC OF ALCOHOL, EACH AT 25 °C"},Uses:{Value:"AS REGENERABLE DRYING AGENT FOR GASES"}},ReducedFormula:"Cl2Mg1O8"},24841:{PUBCHEM:{CID:"24841","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrogen iodide","IUPAC Name CAS-like Style":"Iodane","IUPAC Name Markup":"Iodane","IUPAC Name Preferred":"Iodane","IUPAC Name Systematic":"Iodane","IUPAC Name Traditional":"Hydrogen iodide",InChI:"1S/HI/h1H",InChIKey:"XMBWDFGMSWQBCA-UHFFFAOYSA-N","Log P":.9,"Exact Mass":127.9123,"Molecular Formula":"HI","Molecular Weight":127.9124,"Monoisotopic Mass":127.9123,Charge:0,"Easy Name":"Hydrogen iodide","Easy Category":"Inorganic acids"},HSDB:{"Boiling Point":{Value:"-35.1 °C at 760 mm Hg"},"Color And Form":{Value:"Colorless gas; fumes in moist air"},"Critical Temperature And Pressure":{Value:"Critical temperature: 151.0 °C; critical pressure: 82.0 atm"},Density:{Value:"5.66 g/L at 0 °C; 5.23 g/L at 25 °C"},"Melting Point":{Value:"-50.8 °C"},Odor:{Value:"Acrid"},Solubility:{Value:"Extremely soluble in water; 234 g/100 g water at 10 °C; 900 g/100 g water at 0 °C"},Uses:{Value:"For hydriodic acid (USEPA/OPP Pesticide Code: 46912) there are 0 label matches. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"4.4 (Air = 1)"},"Vapor Pressure":{Value:"5,938 mm Hg at 25 °C"}},ReducedFormula:"H1I1"},24842:{PUBCHEM:{CID:"24842","Compound Complexity":81.3,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrazine;sulfuric acid","IUPAC Name CAS-like Style":"Hydrazine;sulfuric acid","IUPAC Name Markup":"Hydrazine;sulfuric acid","IUPAC Name Preferred":"Hydrazine;sulfuric acid","IUPAC Name Systematic":"Diazane;sulfuric acid","IUPAC Name Traditional":"Hydrazine;sulfuric acid",InChI:"1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)",InChIKey:"ZGCHATBSUIJLRL-UHFFFAOYSA-N","Exact Mass":130.00482786,"Molecular Formula":"H6N2O4S","Molecular Weight":130.13,"Monoisotopic Mass":130.00482786,Charge:0,"Easy Name":"Hydrazine sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Orthorhombic crystals; glass like plates or prisms"},Density:{Value:"1.378"},"Melting Point":{Value:"254 °C"},pH:{Value:"1.3 (0.2 Molar aq soln)"},Solubility:{Value:"0.04 g/100 g ethanol at 25 °C"},Uses:{Value:"In the gravimetric estimation of nickel, cobalt and cadmium; in the refining of rare metals; antioxidant in soldering flux for light metals; as reducing agent in the analysis of minerals and slags; in separating polonium from tellurium; in tests for blood; for destroying fungi and molds; in the preparation of hydrazine hydrate."}},ReducedFormula:"H6N2O4S1"},24845:{PUBCHEM:{CID:"24845","Compound Complexity":26.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,2,2-tetrafluorohydrazine","IUPAC Name CAS-like Style":"1,1,2,2-tetrafluorohydrazine","IUPAC Name Markup":"1,1,2,2-tetrafluorohydrazine","IUPAC Name Preferred":"1,1,2,2-tetrafluorohydrazine","IUPAC Name Systematic":"1,1,2,2-tetrakis(fluoranyl)diazane","IUPAC Name Traditional":"1,1,2,2-tetrafluorohydrazine",InChI:"1S/F4N2/c1-5(2)6(3)4",InChIKey:"GFADZIUESKAXAK-UHFFFAOYSA-N","Log P":.8,"Exact Mass":103.99976066,"Molecular Formula":"F4N2","Molecular Weight":104.007,"Monoisotopic Mass":103.99976066,Charge:0,"Easy Name":"Tetrafluorohydrazine","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"F4N2"},24848:{PUBCHEM:{CID:"24848","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;dinitrate","IUPAC Name CAS-like Style":"Strontium;dinitrate","IUPAC Name Markup":"Strontium;dinitrate","IUPAC Name Preferred":"Strontium;dinitrate","IUPAC Name Systematic":"Strontium;dinitrate","IUPAC Name Traditional":"Strontium;dinitrate",InChI:"1S/2NO3.Sr/c2*2-1(3)4;/q2*-1;+2",InChIKey:"DHEQXMRUPNDRPG-UHFFFAOYSA-N","Exact Mass":211.88124798,"Molecular Formula":"N2O6Sr","Molecular Weight":211.6,"Monoisotopic Mass":211.88124798,Charge:0,"Easy Name":"Strontium nitrate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"645 °C"},"Color And Form":{Value:"WHITE GRANULES OR POWDER"},Density:{Value:"2.99 g/cu-cm"},"Melting Point":{Value:"570 °C"},pH:{Value:"AQ SOLN IS NEUTRAL"},Solubility:{Value:"70.9 g/100 ml water at 18 °C, 100 g/100 ml water at 100 °C"},Uses:{Value:"In signal lights, marine signals, railroad flares, matches; in pyrotechnics (red fire)"}},ReducedFormula:"N2O6Sr1"},24850:{PUBCHEM:{CID:"24850","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dialuminum;trisulfate","IUPAC Name CAS-like Style":"Dialuminum;trisulfate","IUPAC Name Markup":"Dialuminum;trisulfate","IUPAC Name Preferred":"Dialuminum;trisulfate","IUPAC Name Systematic":"Dialuminum;trisulfate","IUPAC Name Traditional":"Dialuminum;trisulfate",InChI:"1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"DIZPMCHEQGEION-UHFFFAOYSA-H","Exact Mass":341.818266,"Molecular Formula":"Al2O12S3","Molecular Weight":342.2,"Monoisotopic Mass":341.818266,Charge:0,"Easy Name":"Aluminium sulphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, lustrous crystals, pieces, granules, or powder"},Density:{Value:"1.61"},"Melting Point":{Value:"770 °C (with decomposition)"},Odor:{Value:"ODORLESS"},pH:{Value:"Aq soln (1 g/1 ml water) not less than 2.9"},"Refractive Index":{Value:"Index of refraction: 1.47"},Solubility:{Value:"Soluble in 1 part water."},Taste:{Value:"HAS SWEET, MILDLY ASTRINGENT TASTE"},Uses:{Value:"An early step in the treatment of raw water ... Either aluminum sulfate or ferric chloride proved a good primary flocculant for virus removal."},"Vapor Pressure":{Value:"Esentially zero."}},ReducedFormula:"Al2O12S3"},24854:{PUBCHEM:{CID:"24854","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dichloride","IUPAC Name CAS-like Style":"Calcium;dichloride","IUPAC Name Markup":"Calcium;dichloride","IUPAC Name Preferred":"Calcium;dichloride","IUPAC Name Systematic":"Calcium;dichloride","IUPAC Name Traditional":"Calcium;dichloride",InChI:"1S/Ca.2ClH/h;2*1H/q+2;;/p-2",InChIKey:"UXVMQQNJUSDDNG-UHFFFAOYSA-L","Exact Mass":109.9002963,"Molecular Formula":"CaCl2","Molecular Weight":110.98,"Monoisotopic Mass":109.9002963,Charge:0,"Easy Name":"Calcium chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1935 °C"},"Color And Form":{Value:"White cubic crystals or powder"},Density:{Value:"2.15 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"Latent Heat of Vaporization: 56.2 kcal/mole (boiling point)"},"Melting Point":{Value:"775 °C"},Odor:{Value:"ODORLESS"},"Refractive Index":{Value:"Index of refraction, relative to air: 1.4420 at 20 °C/D in 40.0% aqueous solution"},Solubility:{Value:"Soluble in methyl carbonate and acetic aicd"},Taste:{Value:"Taste threshold ... in potable water is 150-350 ppm ... however ... concentrations as low as 50 ppm can be ojectionable"},Uses:{Value:"Both oil base and water base fracturing fluids are being used in the fracturing industry. Water base, which includes alcohol-water mixtures and low strength acids, make up the majority of treating fluids. The common chemicals added to these fluids are polymers for viscosity development, crosslinkers for viscosity enhancement, pH control chemicals, gel breakers for polymer degradation following the treatment, surfactants, clay stabilizers, alcohol, bactericides, fluid loss additives and friction reducer. /Hydraulic fracturing/"},Viscosity:{Value:"In 40.0% aqueous solution, 8.997 mPa.s at 20 °C"}},ReducedFormula:"Ca1Cl2"},24856:{PUBCHEM:{CID:"24856","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;potassium;disulfate","IUPAC Name CAS-like Style":"Aluminum;potassium;disulfate","IUPAC Name Markup":"Aluminum;potassium;disulfate","IUPAC Name Preferred":"Aluminum;potassium;disulfate","IUPAC Name Systematic":"Aluminum;potassium;disulfate","IUPAC Name Traditional":"Aluminum;potassium;disulfate",InChI:"1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",InChIKey:"GRLPQNLYRHEGIJ-UHFFFAOYSA-J","Exact Mass":257.8487042,"Molecular Formula":"AlKO8S2","Molecular Weight":258.21,"Monoisotopic Mass":257.8487042,Charge:0,"Easy Name":"Potassium alum","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"WHITE POWDER"},Density:{Value:"1.725"},Solubility:{Value:"1 G DISSOLVES IN ABOUT 20 ML COLD WATER, ABOUT 1 ML BOILING WATER, INCOMPLETELY; PRACTICALLY INSOL IN ALC."},Taste:{Value:"STYPTIC"},Uses:{Value:"IN DYEING, PRINTING FABRICS; MFR DYES, LAKES, PAPER, VEGETABLE GLUE"}},ReducedFormula:"Al1K1O8S2"},24857:{PUBCHEM:{CID:"24857","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Radon","IUPAC Name CAS-like Style":"Radon","IUPAC Name Markup":"Radon","IUPAC Name Preferred":"Radon","IUPAC Name Systematic":"Radon","IUPAC Name Traditional":"Radon",InChI:"1S/Rn",InChIKey:"SYUHGPGVQRZVTB-UHFFFAOYSA-N","Exact Mass":222.01758,"Molecular Formula":"Rn","Molecular Weight":222.01758,"Monoisotopic Mass":222.01758,Charge:0,"Easy Name":"Radon","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"-61.7 °C (liquid)"},"Color And Form":{Value:"Colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 378 K; Critical pressure: 6280 kPa"},Density:{Value:"9.73 kg/cu m, 0 °C, 101.3 kPa (gas)"},"Heat Of Vaporization":{Value:"18,100 J/mol (normal BP)"},"Melting Point":{Value:"-71 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 230 cu cm/L at 20 °C (gas)"},Taste:{Value:"Tasteless"},Uses:{Value:"To initiate and influence chemical reactions, as a surface label in the study of surface reactions; in the determination of radium or thorium; in the study of the behavior of filters; in combination with Be or other light materials as a source of neutrons."},"Vapor Density":{Value:"Density of gas: 9.73 g/L"},"Vapor Pressure":{Value:"1 Pa at -163 °C; 10 Pa at -152 °C; 100 Pa at -139 °C; 1 kPa at -121.4 °C; 10 kPa at -97.6 °C (solid)"},Viscosity:{Value:"23.3 Pa.s at 101.32 kPa, 25 °C (gas)"}},ReducedFormula:"Rn1"},24861:{PUBCHEM:{CID:"24861","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;phosphate","IUPAC Name CAS-like Style":"Iron(3+);phosphate","IUPAC Name Markup":"Iron(3+);phosphate","IUPAC Name Preferred":"Iron(3+);phosphate","IUPAC Name Systematic":"Iron(3+);phosphate","IUPAC Name Traditional":"Ferric;phosphate",InChI:"1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",InChIKey:"WBJZTOZJJYAKHQ-UHFFFAOYSA-K","Exact Mass":150.888356,"Molecular Formula":"FeO4P","Molecular Weight":150.82,"Monoisotopic Mass":150.888356,Charge:0,"Easy Name":"Iron (III) phosphate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"For ferric phosphate (USEPA/OPP Pesticide Code: 034903) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Fe1O4P1"},24863:{PUBCHEM:{CID:"24863","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;ferrous;disulfate","IUPAC Name CAS-like Style":"Diammonium;iron(2+);disulfate","IUPAC Name Markup":"Diazanium;iron(2+);disulfate","IUPAC Name Preferred":"Diazanium;iron(2+);disulfate","IUPAC Name Systematic":"Diazanium;iron(2+);disulfate","IUPAC Name Traditional":"Diammonium;ferrous;disulfate",InChI:"1S/Fe.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2",InChIKey:"IMBKASBLAKCLEM-UHFFFAOYSA-L","Exact Mass":283.907143,"Molecular Formula":"FeH8N2O8S2","Molecular Weight":284.1,"Monoisotopic Mass":283.907143,Charge:0,"Easy Name":"Ammonium iron (II) sulfate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:'The active ingredient is no longer contained in any registered products ... "cancelled."'}},ReducedFormula:"Fe1H8N2O8S2"},24864:{PUBCHEM:{CID:"24864","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Mercuric;dinitrate","IUPAC Name CAS-like Style":"Mercury(2+);dinitrate","IUPAC Name Markup":"Mercury(2+);dinitrate","IUPAC Name Preferred":"Mercury(2+);dinitrate","IUPAC Name Systematic":"Mercury(2+);dinitrate","IUPAC Name Traditional":"Mercuric;dinitrate",InChI:"1S/Hg.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"ORMNPSYMZOGSSV-UHFFFAOYSA-N","Exact Mass":325.946279,"Molecular Formula":"HgN2O6","Molecular Weight":324.6,"Monoisotopic Mass":325.946279,Charge:0,"Easy Name":"Mercury (II) nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White or slightly yellow crystal powder"},Density:{Value:"4.3 at 20 °C (solid)"},"Melting Point":{Value:"79 °C"},Odor:{Value:"Sharp odor"},Solubility:{Value:"Soluble in small amount of water and in dilute acids."},Uses:{Value:"Mfr of felt; mercury fulminate; destroying Phylloxera"}},ReducedFormula:"Hg1N2O6"},24870:{PUBCHEM:{CID:"24870","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/ClO2/c2-1-3",InChIKey:"OSVXSBDYLRYLIG-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":66.9586819,"Molecular Formula":"ClO2","Molecular Weight":67.45,"Monoisotopic Mass":66.9586819,Charge:0,"Easy Name":"Chlorine dioxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"11 °C"},"Color And Form":{Value:"Yellowish-brown gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 465K; critical pressure: 8621.6 kPa"},Density:{Value:"1.77 g/cu cm"},"Heat Of Vaporization":{Value:"30 kJ/mol at 11 °C"},"Melting Point":{Value:"-59 °C"},Odor:{Value:"... Unpleasant odor similar to chlorine and nitric acid."},Solubility:{Value:"In water, 3.01 g/L at 25 °C and 34.5 mm Hg"},Uses:{Value:"For chlorine dioxide (USEPA/OPP Pesticide Code: 020503) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"2.3 (Air = 1)"},"Vapor Pressure":{Value:"101 kPa at 20 °C /758 mm Hg at 20 °C/"}},ReducedFormula:"Cl1O2"},24871:{PUBCHEM:{CID:"24871","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorochromium","IUPAC Name CAS-like Style":"Dichlorochromium","IUPAC Name Markup":"Dichlorochromium","IUPAC Name Preferred":"Dichlorochromium","IUPAC Name Systematic":"Bis(chloranyl)chromium","IUPAC Name Traditional":"Dichlorochromium",InChI:"1S/2ClH.Cr/h2*1H;/q;;+2/p-2",InChIKey:"XBWRJSSJWDOUSJ-UHFFFAOYSA-L","Exact Mass":121.87821,"Molecular Formula":"Cl2Cr","Molecular Weight":122.9,"Monoisotopic Mass":121.87821,Charge:0,"Easy Name":"Chromium (II) chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1200 °C"},"Color And Form":{Value:"Lustrous needles or fused, fibrous mass"},Density:{Value:"2.751 at 14 °C/4 °C"},"Melting Point":{Value:"824 °C"},Odor:{Value:"Odorless"},pH:{Value:"2+ (chromous) state is basic"},Solubility:{Value:"Very soluble in water"},Uses:{Value:"In chromizing; in preparation of Cr metal; in catalysts for organic reactions; as O2 absorbent; in analysis"},"Vapor Pressure":{Value:"Essentially zero (except water of crystallization)"}},ReducedFormula:"Cl2Cr1"},24874:{PUBCHEM:{CID:"24874","Compound Complexity":19.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Butan-2-amine","IUPAC Name CAS-like Style":"2-butanamine","IUPAC Name Markup":"Butan-2-amine","IUPAC Name Preferred":"Butan-2-amine","IUPAC Name Systematic":"Butan-2-amine","IUPAC Name Traditional":"Sec-butylamine",InChI:"1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3",InChIKey:"BHRZNVHARXXAHW-UHFFFAOYSA-N","Log P":.6,"Exact Mass":73.08914936,"Molecular Formula":"C4H11N","Molecular Weight":73.14,"Monoisotopic Mass":73.08914936,Charge:0,"Easy Name":"Sec-Butylamine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"63 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 514.3 K; critical pressure: 4.20 MPa"},Density:{Value:"0.724 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"32.85 kJ/mole at 25 °C"},"Melting Point":{Value:"-104 °C"},"NFPA Hazard Classification":{Value:"3-3-0"},Odor:{Value:"Amine odor"},"Refractive Index":{Value:"Index of refraction: 1.394 at 20 °C/D"},Solubility:{Value:"Miscible with most organic solvents"},Uses:{Value:"For sec-butylamine (USEPA/OPP Pesticide Code: 4214) there are 0 label matches. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"2.52 (Air=1)"},"Vapor Pressure":{Value:"178 mm Hg at 25 °C"}},ReducedFormula:"C4H11N1"},24877:{PUBCHEM:{CID:"24877","Compound Complexity":124,"Hydrogen Bond Acceptor":21,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetraferric;phosphonato phosphate","IUPAC Name CAS-like Style":"Iron(3+);phosphonato phosphate","IUPAC Name Markup":"Iron(3+);phosphonato phosphate","IUPAC Name Preferred":"Iron(3+);phosphonato phosphate","IUPAC Name Systematic":"Iron(3+);phosphonato phosphate","IUPAC Name Traditional":"Tetraferric;phosphonato phosphate",InChI:"1S/4Fe.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12",InChIKey:"CADNYOZXMIKYPR-UHFFFAOYSA-B","Exact Mass":745.47552,"Molecular Formula":"Fe4O21P6","Molecular Weight":745.21,"Monoisotopic Mass":745.47552,Charge:0,"Easy Name":"Iron (III) pyrophosphate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"Catalyst; in fireproofing of synthetic fibers; in corrosion-preventing pigments; hematinic agent"}},ReducedFormula:"Fe4O21P6"},24924:{PUBCHEM:{CID:"24924","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Plumbous;dinitrate","IUPAC Name CAS-like Style":"Lead(2+);dinitrate","IUPAC Name Markup":"Lead(2+);dinitrate","IUPAC Name Preferred":"Lead(2+);dinitrate","IUPAC Name Systematic":"Lead(2+);dinitrate","IUPAC Name Traditional":"Plumbous;dinitrate",InChI:"1S/2NO3.Pb/c2*2-1(3)4;/q2*-1;+2",InChIKey:"RLJMLMKIBZAXJO-UHFFFAOYSA-N","Exact Mass":331.95229,"Molecular Formula":"N2O6Pb","Molecular Weight":331,"Monoisotopic Mass":331.95229,Charge:0,"Easy Name":"Lead (II) nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White or colorless translucent crystals"},Density:{Value:"4.53 g/cu cm"},"Melting Point":{Value:"470 °C"},pH:{Value:"3.0-4.0 (20% aq soln at 25 °C)"},"Refractive Index":{Value:"Index of refraction: 1.782"},Solubility:{Value:"Slightly soluble in ethanol"},Uses:{Value:"Manuf matches and special explosives; as mordant in dyeing and printing on textiles; mordant for staining horn, mother-of-pearl; oxidizer in dye industry; sensitizer in photography; process engraving."}},ReducedFormula:"N2O6Pb1"},24931:{PUBCHEM:{CID:"24931","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diiodolead","IUPAC Name CAS-like Style":"Diiodolead","IUPAC Name Markup":"Diiodolead","IUPAC Name Preferred":"Diiodolead","IUPAC Name Systematic":"Bis(iodanyl)lead","IUPAC Name Traditional":"Diiodolead",InChI:"1S/2HI.Pb/h2*1H;/q;;+2/p-2",InChIKey:"RQQRAHKHDFPBMC-UHFFFAOYSA-L","Exact Mass":461.7856,"Molecular Formula":"I2Pb","Molecular Weight":461,"Monoisotopic Mass":461.7856,Charge:0,"Easy Name":"Lead (II) iodide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"872 °C (decomposes)"},"Color And Form":{Value:"Yellow hexagonal crystals"},Density:{Value:"6.16 g/cu cm"},"Heat Of Vaporization":{Value:"104 kJ/mol at 872 °C (boiling point)"},"Melting Point":{Value:"410 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Soluble in potassium iodide and concentrated sodium acetate solutions"},Uses:{Value:"Films for recording optical images; photographic emulsions with thiols; in aerosols for cloud seeding; asbestos brake linings; primary thermal batteries with iodine; mercury-vapor arc lamps; thermoelectric materials; lubricating greases; electrosensitive recording papers; and filters for far-infrared astronomy."},"Vapor Pressure":{Value:"100 Pa Hg at 470 °C; 1000 Pa at 558 °C; 10,000 Pa at 682 °C; 100,000 Pa at 869 °C"}},ReducedFormula:"I2Pb1"},24932:{PUBCHEM:{CID:"24932","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Palladium(2+);dinitrate","IUPAC Name CAS-like Style":"Palladium(2+);dinitrate","IUPAC Name Markup":"Palladium(2+);dinitrate","IUPAC Name Preferred":"Palladium(2+);dinitrate","IUPAC Name Systematic":"Palladium(2+);dinitrate","IUPAC Name Traditional":"Palladium(2+);dinitrate",InChI:"1S/2NO3.Pd/c2*2-1(3)4;/q2*-1;+2",InChIKey:"GPNDARIEYHPYAY-UHFFFAOYSA-N","Exact Mass":229.87912,"Molecular Formula":"N2O6Pd","Molecular Weight":230.4,"Monoisotopic Mass":229.87912,Charge:0,"Easy Name":"Palladium (II) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"N2O6Pd1"},24933:{PUBCHEM:{CID:"24933","Compound Complexity":116,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxouranium;nitric acid","IUPAC Name CAS-like Style":"Dioxouranium;nitric acid","IUPAC Name Markup":"Dioxouranium;nitric acid","IUPAC Name Preferred":"Dioxouranium;nitric acid","IUPAC Name Systematic":"Bis(oxidanylidene)uranium;nitric acid","IUPAC Name Traditional":"Diketouranium;nitric acid",InChI:"1S/2HNO3.2O.U/c2*2-1(3)4;;;/h2*(H,2,3,4);;;",InChIKey:"MKYNHKOAYQRSBD-UHFFFAOYSA-N","Exact Mass":396.0319,"Molecular Formula":"H2N2O8U","Molecular Weight":396.05,"Monoisotopic Mass":396.0319,Charge:0,"Easy Name":"Uranyl nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Yellow, rhombic crystals"},Solubility:{Value:"Yellow crystals; slightly soluble in alcohol /Dihydrate/"},Uses:{Value:"Intensifier in photography; manufacturing uranium glaze, decorating porcelain; also as reagent in analytical chemistry."}},ReducedFormula:"H2N2O8U1"},24934:{PUBCHEM:{CID:"24934","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;selenite","IUPAC Name CAS-like Style":"Disodium;selenite","IUPAC Name Markup":"Disodium;selenite","IUPAC Name Preferred":"Disodium;selenite","IUPAC Name Systematic":"Disodium;selenite","IUPAC Name Traditional":"Disodium;selenite",InChI:"1S/2Na.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",InChIKey:"BVTBRVFYZUCAKH-UHFFFAOYSA-L","Exact Mass":173.8808,"Molecular Formula":"Na2O3Se","Molecular Weight":172.95,"Monoisotopic Mass":173.8808,Charge:0,"Easy Name":"Sodium selenite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Tetragonal prisms"},Density:{Value:"Specific gravity: 3.1 (Water = 1)"},"Melting Point":{Value:"710 °C (decomposes)"},Solubility:{Value:"Insoluble in alcohol"},Uses:{Value:"Removing green color from glass during its mfr; alkaloidal reagent"}},ReducedFormula:"Na2O3Se1"},24935:{PUBCHEM:{CID:"24935","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;tellurite","IUPAC Name CAS-like Style":"Disodium;tellurite","IUPAC Name Markup":"Disodium;tellurite","IUPAC Name Preferred":"Disodium;tellurite","IUPAC Name Systematic":"Disodium;tellurite","IUPAC Name Traditional":"Disodium;tellurite",InChI:"1S/2Na.H2O3Te/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",InChIKey:"VOADVZVYWFSHSM-UHFFFAOYSA-L","Exact Mass":223.8705052,"Molecular Formula":"Na2O3Te","Molecular Weight":221.6,"Monoisotopic Mass":223.8705052,Charge:0,"Easy Name":"Sodium tellurite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Rhombic prism"},Solubility:{Value:"Slightly sol in cold water; sol in hot water"},Uses:{Value:"Bacteriology, medicine"}},ReducedFormula:"Na2O3Te1"},24936:{PUBCHEM:{CID:"24936","Compound Complexity":26.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Tellurous acid","IUPAC Name CAS-like Style":"Tellurous acid","IUPAC Name Markup":"Tellurous acid","IUPAC Name Preferred":"Tellurous acid","IUPAC Name Systematic":"Tellurous acid","IUPAC Name Traditional":"Tellurous acid",InChI:"1S/H2O3Te/c1-4(2)3/h(H2,1,2,3)",InChIKey:"SITVSCPRJNYAGV-UHFFFAOYSA-N","Exact Mass":179.9066167,"Molecular Formula":"H2O3Te","Molecular Weight":177.6,"Monoisotopic Mass":179.9066167,Charge:0,"Easy Name":"Tellurous acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O3Te1"},24937:{PUBCHEM:{CID:"24937","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(1+);nitrate","IUPAC Name CAS-like Style":"Thallium(1+);nitrate","IUPAC Name Markup":"Thallium(1+);nitrate","IUPAC Name Preferred":"Thallium(1+);nitrate","IUPAC Name Systematic":"Thallium(1+);nitrate","IUPAC Name Traditional":"Thallium(1+);nitrate",InChI:"1S/NO3.Tl/c2-1(3)4;/q-1;+1",InChIKey:"FYWSTUCDSVYLPV-UHFFFAOYSA-N","Exact Mass":266.96225,"Molecular Formula":"NO3Tl","Molecular Weight":266.39,"Monoisotopic Mass":266.96225,Charge:0,"Easy Name":"Thallium (I) nitrate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"450 °C decomposes"},"Color And Form":{Value:"WHITE CRYSTALS"},Density:{Value:"5.556 @ 21 °C/4 °C"},"Melting Point":{Value:"Alpha isomer: 206 °C: Beta isomer: transition point at 145 °C to alpha form; Gamma: transition point at 75 °C to beta form."},Odor:{Value:"Odorless"},Solubility:{Value:"Alpha isomer: 9.55 g Sol in 100 cc cold water at 20 °C, 4.13 g/100 cc hot water at 100 °C, insol in alc, sol in acetone. Gamma isomer: 3.91 g Sol in 100 cc cold water at 0 °C, 414 g/100 cc hot water at 100 °C, insol in alc, sol in acetone."},Uses:{Value:"AS REAGENT IN ANALYTICAL CHEMISTRY, ESP FOR DETERMINATION OF IODINE IN PRESENCE OF BROMINE & CHLORINE; WITH POTASSIUM CHLORATE, MERCURIC CHLORIDE, & RESIN FOR GREEN FIRE FOR SIGNALLING AT SEA"}},ReducedFormula:"N1O3Tl1"},24938:{PUBCHEM:{CID:"24938","Compound Complexity":36.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triferrous;diarsorate","IUPAC Name CAS-like Style":"Iron(2+);diarsorate","IUPAC Name Markup":"Iron(2+);diarsorate","IUPAC Name Preferred":"Iron(2+);diarsorate","IUPAC Name Systematic":"Iron(2+);diarsorate","IUPAC Name Traditional":"Triferrous;diarsorate",InChI:"1S/2AsH3O4.3Fe/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",InChIKey:"PRDPGWOYQAUJJB-UHFFFAOYSA-H","Exact Mass":445.60731,"Molecular Formula":"As2Fe3O8","Molecular Weight":445.37,"Monoisotopic Mass":445.60731,Charge:0,"Easy Name":"Iron (2+) arsenate (3:2)","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"A green powder"},Solubility:{Value:"Ferrous arsenate is insoluble in water."},Uses:{Value:"Insecticide /Hexahydrate/"}},ReducedFormula:"As2Fe3O8"},24947:{PUBCHEM:{CID:"24947","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorocadmium","IUPAC Name CAS-like Style":"Dichlorocadmium","IUPAC Name Markup":"Dichlorocadmium","IUPAC Name Preferred":"Dichlorocadmium","IUPAC Name Systematic":"Bis(chloranyl)cadmium","IUPAC Name Traditional":"Dichlorocadmium",InChI:"1S/Cd.2ClH/h;2*1H/q+2;;/p-2",InChIKey:"YKYOUMDCQGMQQO-UHFFFAOYSA-L","Exact Mass":183.84107,"Molecular Formula":"CdCl2","Molecular Weight":183.32,"Monoisotopic Mass":183.84107,Charge:0,"Easy Name":"Cadmium chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"960 °C"},"Color And Form":{Value:"Rhombohedral crystals"},Density:{Value:"4.08 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of cadmium chloride stem from its toxicologic properties. Toxic primarily by ingestion and inhalation, exposure to this odorless, colorless-to-white, crystalline substance may occur from its use in fungicides, electroplating baths, dyeing and printing of textiles. Effects from exposure may include contact burns to the skin, headace, shortness of breath, chest pain, kidney damage, liver damage, and pulmonary edema (possibly resulting in death). While the OSHA PEL has been set at a TWA of 0.2 mg Cd/cu m for cadmium dust, NIOSH recommends that cadmium dust be treated as a potential human carcinogen. Processes and operations which may release cadmium fumes or dust should be enclosed and fitted with exhaust ventilation. In activities where over-exposure is possible, workers should wear a high efficiency particulate filter respirator or self-contained breathing apparatus. Protective clothing also should be worn. Preferably this should include disposable one-piece suits (close-fitting at the ankles and wrists), gloves, hair covering, and overshoes. These should be removed before leaving work. If contact should occur, immediately wash contaminated skin with large amounts of water. Do not eat, smoke, or drink in work areas. Cadmium chloride presents only a moderate fire hazard (when in the form of dust) if exposed to heat, flame, or by chemical reaction with oxidizing agents, metals, hydrogen azide, zinc, selenium, or tellurium. For small fires involving cadmium chloride, extinguish with dry chemical, CO2, Halon, water spray, or standard foam, and for large fires, use water spray, fog, or standard foam. Wear a self-contained breathing apparatus when fighting such fires. Cadmium chloride should be stored in cool, well-ventilated areas, out of direct rays of the sun, and away from fire hazards. If small amounts cadmium chloride are released, remove all ignition sources, ventilate the area, and collect the released material in closed containers for latter disposal. For large spills on land, contain material in excavated pits or other holding areas (preferably lined with an impermeable flexible membrane liner). Cover solids with a plastic sheet. Dike far ahead of liquids to prevent the substance from entering water sources or sewers. For large spills into bodies of water, first neutralize with agricultural lime, crushed limestone, or sodium bicarbonate, then use mechanical dredges or lifts to remove immobilized masses and precipitates. Before implementing land disposal of waste cadmium chloride, consult environmental regulatory agencies for guidance."},"Heat Of Vaporization":{Value:"124.3 kJ/mol at 964 °C"},"Melting Point":{Value:"568 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Soluble in acetone; practically insoluble in ether."},Uses:{Value:"For Cadmium chloride (USEPA/OPP Pesticide Code: 012902) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"10 mm Hg at 656 °C"}},ReducedFormula:"Cd1Cl2"},24948:{PUBCHEM:{CID:"24948","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cerium(3+);trinitrate","IUPAC Name CAS-like Style":"Cerium(3+);trinitrate","IUPAC Name Markup":"Cerium(3+);trinitrate","IUPAC Name Preferred":"Cerium(3+);trinitrate","IUPAC Name Systematic":"Cerium(3+);trinitrate","IUPAC Name Traditional":"Cerium(3+);trinitrate",InChI:"1S/Ce.3NO3/c;3*2-1(3)4/q+3;3*-1",InChIKey:"HSJPMRKMPBAUAU-UHFFFAOYSA-N","Exact Mass":325.8689,"Molecular Formula":"CeN3O9","Molecular Weight":326.13,"Monoisotopic Mass":325.8689,Charge:0,"Easy Name":"Cerium (III) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ce1N3O9"},24956:{PUBCHEM:{CID:"24956","Compound Complexity":4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloromercury","IUPAC Name CAS-like Style":"Chloromercury","IUPAC Name Markup":"Chloromercury","IUPAC Name Preferred":"Chloromercury","IUPAC Name Systematic":"Chloranylmercury","IUPAC Name Traditional":"Chloromercury",InChI:"1S/2ClH.2Hg/h2*1H;;/q;;2*+1/p-2",InChIKey:"ZOMNIUBKTOKEHS-UHFFFAOYSA-L","Exact Mass":471.876676,"Molecular Formula":"Cl2Hg2","Molecular Weight":472.09,"Monoisotopic Mass":473.87899,Charge:0,"Easy Name":"Mercury (I) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Hg2"},24958:{PUBCHEM:{CID:"24958","Compound Complexity":18.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;sulfite","IUPAC Name CAS-like Style":"Dipotassium;sulfite","IUPAC Name Markup":"Dipotassium;sulfite","IUPAC Name Preferred":"Dipotassium;sulfite","IUPAC Name Systematic":"Dipotassium;sulfite","IUPAC Name Traditional":"Dipotassium;sulfite",InChI:"1S/2K.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",InChIKey:"BHZRJJOHZFYXTO-UHFFFAOYSA-L","Exact Mass":157.88422801,"Molecular Formula":"K2O3S","Molecular Weight":158.26,"Monoisotopic Mass":157.88422801,Charge:0,"Easy Name":"Potassium sulfite","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"Photography; preservative and antioxidant in foods"}},ReducedFormula:"K2O3S1"},24962:{PUBCHEM:{CID:"24962","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cadmium(2+);sulfate","IUPAC Name CAS-like Style":"Cadmium(2+);sulfate","IUPAC Name Markup":"Cadmium(2+);sulfate","IUPAC Name Preferred":"Cadmium(2+);sulfate","IUPAC Name Systematic":"Cadmium(2+);sulfate","IUPAC Name Traditional":"Cadmium(2+);sulfate",InChI:"1S/Cd.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"QCUOBSQYDGUHHT-UHFFFAOYSA-L","Exact Mass":209.855095,"Molecular Formula":"CdO4S","Molecular Weight":208.48,"Monoisotopic Mass":209.855095,Charge:0,"Easy Name":"Cadmium sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless orthorhombic crystals"},Density:{Value:"4.69 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of cadmium sulfate stem from its toxicologic properties. Toxic primarily by ingestion and inhalation, exposure to this odorless, colorless-to-white, crystalline substance may occur from its use as a fungicide, a cement accelerator, and a chemical intermediate in the manufacture of plastic stabilizers and pigments. Effects from exposure may include headace, shortness of breath, chest pains, kidney damage, liver damage, emphysema, chronic bronchitis and pulmonary edema (possibly resulting in death). Processes and operations which may release cadmium fumes or dust should be enclosed and fitted with exhaust ventilation. In activities where over-exposure is possible, workers should wear a high efficiency particulate filter respirator or self-contained breathing apparatus. Protective clothing also should be worn. Preferably this should include disposable one-piece suits (close-fitting at ankles and wrists), gloves, hair covering, and overshoes. These should be removed before leaving work. If contact should occur, immediately wash contaminated skin with large amounts of water. Do not eat, smoke, or drink in work areas. Cadmium sulfate presents only a moderate fire hazard (when in the form of dust) if exposed to heat, flame, or by chemical reaction with oxidizing agents, metals, hydrogen azide, zinc, selenium, or tellurium. Wear a self-contained breathing apparatus when fighting such fires. Cadmium sulfate should be stored in cool, well-ventilated areas, out of direct rays of the sun, and away from fire hazards. If hazardous concentrations of cadmium sulfate are accidentally released, remove all ignition sources, ventilate the area, and collect the released material in closed containers for disposal. Before implementing land disposal of waste cadmium sulfate, consult environmental regulatory agencies for guidance."},"Melting Point":{Value:"1000 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"INDEX OF REFRACTION 1.565"},Solubility:{Value:"Insoluble in ethanol"},Uses:{Value:"Pigment; fluorescent screens"}},ReducedFormula:"Cd1O4S1"},24963:{PUBCHEM:{CID:"24963","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dinitrate","IUPAC Name CAS-like Style":"Calcium;dinitrate","IUPAC Name Markup":"Calcium;dinitrate","IUPAC Name Preferred":"Calcium;dinitrate","IUPAC Name Systematic":"Calcium;dinitrate","IUPAC Name Traditional":"Calcium;dinitrate",InChI:"1S/Ca.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"ZCCIPPOKBCJFDN-UHFFFAOYSA-N","Exact Mass":163.9382266,"Molecular Formula":"CaN2O6","Molecular Weight":164.09,"Monoisotopic Mass":163.9382266,Charge:0,"Easy Name":"Calcium nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Deliquescent granules"},Density:{Value:"2.5 @ 25 °C /Tetrahydrate/"},"Melting Point":{Value:"About 560 °C"},pH:{Value:"5% aq soln= 6.0"},Solubility:{Value:"Very sol in water; freely sol in methanol, ethanol, acetone; almost insol in concn nitric acid"},Uses:{Value:"In explosives, fertilizers, matches, pyrotechnics; mfr of incandescent mantles, radio tubes, nitric acid; corrosion inhibitor in diesel fuels"}},ReducedFormula:"Ca1N2O6"},24965:{PUBCHEM:{CID:"24965","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltous;sulfate","IUPAC Name CAS-like Style":"Cobalt(2+);sulfate","IUPAC Name Markup":"Cobalt(2+);sulfate","IUPAC Name Preferred":"Cobalt(2+);sulfate","IUPAC Name Systematic":"Cobalt(2+);sulfate","IUPAC Name Traditional":"Cobaltous;sulfate",InChI:"1S/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"KTVIXTQDYHMGHF-UHFFFAOYSA-L","Exact Mass":154.884923,"Molecular Formula":"CoO4S","Molecular Weight":155,"Monoisotopic Mass":154.884923,Charge:0,"Easy Name":"Cobalt (II) sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Red to lavender dimorphic, othorhombic crystals"},Density:{Value:"3.71 at 25 °C/4 °C"},"Melting Point":{Value:"735 °C"},Odor:{Value:"Odorless"},pH:{Value:"Acidic salts, such as cobalt sulfate ... resulting aqueous solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases."},Solubility:{Value:"In water, 330 g/L at 20 °C"},Uses:{Value:"Usual source of water-soluble cobalt since it is the most economical and it shows less tendency to deliquesc or dehydrate than the chloride or nitrate. Used in storage batteries; in cobalt-electroplating baths; as drier for lithographic inks, varnishes; in ceramics, enamels, glazes to prevent discoloring; in cobalt pigments for decorating porcelain."}},ReducedFormula:"Co1O4S1"},24978:{PUBCHEM:{CID:"24978","Compound Complexity":36.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dichlorate","IUPAC Name CAS-like Style":"Calcium;dichlorate","IUPAC Name Markup":"Calcium;dichlorate","IUPAC Name Preferred":"Calcium;dichlorate","IUPAC Name Systematic":"Calcium;dichlorate","IUPAC Name Traditional":"Calcium;dichlorate",InChI:"1S/Ca.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",InChIKey:"YALMXYPQBUJUME-UHFFFAOYSA-L","Exact Mass":205.869784,"Molecular Formula":"CaCl2O6","Molecular Weight":206.98,"Monoisotopic Mass":205.869784,Charge:0,"Easy Name":"Calcium chlorate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystals"},"Melting Point":{Value:"340 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"197 g/100 g water at 25 °C"},Uses:{Value:"Inert ingredient in antimicrobial agents used as fruit, vegetable, and egg sanitizing washes"}},ReducedFormula:"Ca1Cl2O6"},24983:{PUBCHEM:{CID:"24983","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(3+);trinitrate","IUPAC Name CAS-like Style":"Europium(3+);trinitrate","IUPAC Name Markup":"Europium(3+);trinitrate","IUPAC Name Preferred":"Europium(3+);trinitrate","IUPAC Name Systematic":"Europium(3+);trinitrate","IUPAC Name Traditional":"Europium(3+);trinitrate",InChI:"1S/Eu.3NO3/c;3*2-1(3)4/q+3;3*-1",InChIKey:"GAGGCOKRLXYWIV-UHFFFAOYSA-N","Exact Mass":338.88469,"Molecular Formula":"EuN3O9","Molecular Weight":337.98,"Monoisotopic Mass":338.88469,Charge:0,"Easy Name":"Europium (III) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Eu1N3O9"},25e3:{PUBCHEM:{CID:"25000","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltous;dinitrate","IUPAC Name CAS-like Style":"Cobalt(2+);dinitrate","IUPAC Name Markup":"Cobalt(2+);dinitrate","IUPAC Name Preferred":"Cobalt(2+);dinitrate","IUPAC Name Systematic":"Cobalt(2+);dinitrate","IUPAC Name Traditional":"Cobaltous;dinitrate",InChI:"1S/Co.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"UFMZWBIQTDUYBN-UHFFFAOYSA-N","Exact Mass":182.908829,"Molecular Formula":"CoN2O6","Molecular Weight":182.94,"Monoisotopic Mass":182.908829,Charge:0,"Easy Name":"Cobalt (II) nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Pale red powder"},Density:{Value:"2.49 g/cu cm"},"Melting Point":{Value:"Decomposes at 100-105 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH 4.0 at 100 g/L at 20 °C"},Solubility:{Value:"Soluble in water"},Uses:{Value:"Manufacture of cobalt pigments and invisible inks; decorating stoneware and porcelain; preparation of catalysts; production of vitamin B12 supplements."}},ReducedFormula:"Co1N2O6"},25041:{PUBCHEM:{CID:"25041","Compound Complexity":18.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;sulfite","IUPAC Name CAS-like Style":"Diammonium;sulfite","IUPAC Name Markup":"Diazanium;sulfite","IUPAC Name Preferred":"Diazanium;sulfite","IUPAC Name Systematic":"Diazanium;sulfite","IUPAC Name Traditional":"Diammonium;sulfite",InChI:"1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)",InChIKey:"PQUCIEFHOVEZAU-UHFFFAOYSA-N","Exact Mass":116.0255633,"Molecular Formula":"H8N2O3S","Molecular Weight":116.14,"Monoisotopic Mass":116.0255633,Charge:0,"Easy Name":"Ammonium sulfite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, solid"},Odor:{Value:"Odorless"},pH:{Value:"Its aq soln is alkaline to litmus. /ammonium sulfate monohydrate/"},Solubility:{Value:"Soluble in water, almost insoluble in alcohol, acetone."},Uses:{Value:"IN PRODN OF CARAMEL."}},ReducedFormula:"H8N2O3S1"},25059:{PUBCHEM:{CID:"25059","Compound Complexity":156,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,2-dibromo-2-cyano-acetamide","IUPAC Name CAS-like Style":"2,2-dibromo-2-cyanoacetamide","IUPAC Name Markup":"2,2-dibromo-2-cyanoacetamide","IUPAC Name Preferred":"2,2-dibromo-2-cyanoacetamide","IUPAC Name Systematic":"2,2-bis(bromanyl)-2-cyano-ethanamide","IUPAC Name Traditional":"2,2-dibromo-2-cyano-acetamide",InChI:"1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)",InChIKey:"UUIVKBHZENILKB-UHFFFAOYSA-N","Log P":.6,"Exact Mass":241.85134,"Molecular Formula":"C3H2Br2N2O","Molecular Weight":241.87,"Monoisotopic Mass":239.85339,Charge:0,"Easy Name":"DBNPA","Easy Category":"Amide"},HSDB:{"Boiling Point":{Value:"Decomposes at 190 °C"},"Color And Form":{Value:'White to "off white" crystalline solid'},"Melting Point":{Value:"123 to 126 °C"},Odor:{Value:'Mild "medicinal antiseptic"'},pH:{Value:"pH at 25 °C: 6.61 in 0.01% aqueous solution"},Solubility:{Value:"In water, 1.5 g/100 mL (15,000 mg/L)"},Uses:{Value:"For 2,2-dibromo-3-nitrilopropionamide (USEPA/OPP Pesticide Code: 101801) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"9.0X10-4 mm Hg at 25 °C"}},ReducedFormula:"Br2C3H2N2O1"},25099:{PUBCHEM:{CID:"25099","Compound Complexity":536,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name CAS-like Style":"(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name Markup":"(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name Preferred":"(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name Systematic":"(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name Traditional":"(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate",InChI:"1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/p-1/t16-,17+,19+,20+/m0/s1",InChIKey:"RSWGJHLUYNHPMX-ONCXSQPRSA-M","Log P":5.4,"Exact Mass":301.21675517,"Molecular Formula":"C20H29O2-","Molecular Weight":301.4,"Monoisotopic Mass":301.21675517,Charge:-1,"Easy Name":"Abietate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C20H29O2"},25122:{PUBCHEM:{CID:"25122","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lanthanum(3+);trinitrate","IUPAC Name CAS-like Style":"Lanthanum(3+);trinitrate","IUPAC Name Markup":"Lanthanum(3+);trinitrate","IUPAC Name Preferred":"Lanthanum(3+);trinitrate","IUPAC Name Systematic":"Lanthanum(3+);trinitrate","IUPAC Name Traditional":"Lanthanum(3+);trinitrate",InChI:"1S/La.3NO3/c;3*2-1(3)4/q+3;3*-1",InChIKey:"FYDKNKUEBJQCCN-UHFFFAOYSA-N","Exact Mass":324.86981,"Molecular Formula":"LaN3O9","Molecular Weight":324.92,"Monoisotopic Mass":324.86981,Charge:0,"Easy Name":"Lanthanum nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"La1N3O9"},25134:{PUBCHEM:{CID:"25134","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tribromoborane","IUPAC Name CAS-like Style":"Tribromoborane","IUPAC Name Markup":"Tribromoborane","IUPAC Name Preferred":"Tribromoborane","IUPAC Name Systematic":"Tris(bromanyl)borane","IUPAC Name Traditional":"Tribromoborane",InChI:"1S/BBr3/c2-1(3)4",InChIKey:"ILAHWRKJUDSMFH-UHFFFAOYSA-N","Exact Mass":249.76227,"Molecular Formula":"BBr3","Molecular Weight":250.53,"Monoisotopic Mass":247.76432,Charge:0,"Easy Name":"Boron tribromide","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"91.3 °C"},"Color And Form":{Value:"Colorless, fuming liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 581 K (308 °C)"},Density:{Value:"2.6 g/cu cm"},"Heat Of Vaporization":{Value:"30.5 kJ/mol at 91 °C"},"Melting Point":{Value:"-46 °C"},"NFPA Hazard Classification":{Value:"3-0-2- ̵W̵"},Odor:{Value:"Sharp, irritating odor"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.5312 AT 16.3 °C/D"},Solubility:{Value:"Soluble in carbon tetrachloride, sulfur dioxide (liquid), sulfur dichloride; moderately soluble in methylcyclohexane"},Uses:{Value:"Boron tribromide is used as a catalyst in the manufacture of diborane, ultra high purity boron, and semiconductors."},"Vapor Pressure":{Value:"40 mm Hg at 14 °C; 100 mm Hg at 33.5 °C"},Viscosity:{Value:"0.731 cP at 75 °F (liquid)"}},ReducedFormula:"B1Br3"},25135:{PUBCHEM:{CID:"25135","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichloroborane","IUPAC Name CAS-like Style":"Trichloroborane","IUPAC Name Markup":"Trichloroborane","IUPAC Name Preferred":"Trichloroborane","IUPAC Name Systematic":"Tris(chloranyl)borane","IUPAC Name Traditional":"Trichloroborane",InChI:"1S/BCl3/c2-1(3)4",InChIKey:"FAQYAMRNWDIXMY-UHFFFAOYSA-N","Exact Mass":115.915863,"Molecular Formula":"BCl3","Molecular Weight":117.2,"Monoisotopic Mass":115.915863,Charge:0,"Easy Name":"Boron trichloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"12.5 °C"},"Color And Form":{Value:"Gas at room temperature"},"Critical Temperature And Pressure":{Value:"Critical temperature: 455 K (182 °C); Critical pressure: 3.87 MPa (2.90X10+4 mm Hg)"},Density:{Value:"4.789 g/L"},"Heat Of Vaporization":{Value:"23.77 kJ/mol at 12.65 °C; 23.1 kJ/mol at 25 °C"},"Melting Point":{Value:"-107.3 °C"},Odor:{Value:"Pungent, irritating odor"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4195 AT 5.7 °C ALPHA LINE H2"},Uses:{Value:"One of the most important uses of BCl3 is in the preparation of boron fibers."},"Vapor Density":{Value:"4.03 (Air = 1)"},"Vapor Pressure":{Value:"166 kPa (1250 mm Hg) at 300 K (27 °C)"},Viscosity:{Value:"1.032 cP at 50 °F"}},ReducedFormula:"B1Cl3"},25136:{PUBCHEM:{CID:"25136","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dioxido(dioxo)chromium","IUPAC Name CAS-like Style":"Barium(2+);dioxido(dioxo)chromium","IUPAC Name Markup":"Barium(2+);dioxido(dioxo)chromium","IUPAC Name Preferred":"Barium(2+);dioxido(dioxo)chromium","IUPAC Name Systematic":"Barium(2+);bis(oxidanidyl)-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Barium(2+);diketo(dioxido)chromium",InChI:"1S/Ba.Cr.4O/q+2;;;;2*-1",InChIKey:"QFFVPLLCYGOFPU-UHFFFAOYSA-N","Exact Mass":253.825411,"Molecular Formula":"BaCrO4","Molecular Weight":253.32,"Monoisotopic Mass":253.825411,Charge:0,"Easy Name":"Barium chromate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Heavy, pale-yellow crystalline powder"},Density:{Value:"4.498 at 15 °C"},"Melting Point":{Value:"1400 °C (decomposes)"},Odor:{Value:"Odorless"},pH:{Value:"... hexavalent chromium compounds are acidic"},Solubility:{Value:"In water, 0.00026 g/100 mL at 20 °C"},Uses:{Value:"As pigment almost entirely in anticorrosion jointing pastes to prevent electro-chemical corrosion at junctions of dissimilar metals; some use in artists' colors and in coloring glass, ceramics, porcelain. Also used in metal primers, pyrotechnic compositions."}},ReducedFormula:"Ba1Cr1O4"},25137:{PUBCHEM:{CID:"25137","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicesium;sulfate","IUPAC Name CAS-like Style":"Dicesium;sulfate","IUPAC Name Markup":"Dicesium;sulfate","IUPAC Name Preferred":"Dicesium;sulfate","IUPAC Name Systematic":"Dicesium;sulfate","IUPAC Name Traditional":"Dicesium;sulfate",InChI:"1S/2Cs.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"FLJPGEWQYJVDPF-UHFFFAOYSA-L","Exact Mass":361.7626336,"Molecular Formula":"Cs2O4S","Molecular Weight":361.88,"Monoisotopic Mass":361.7626336,Charge:0,"Easy Name":"Caesium sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs2O4S1"},25138:{PUBCHEM:{CID:"25138","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diiodotin","IUPAC Name CAS-like Style":"Diiodotin","IUPAC Name Markup":"Diiodotin","IUPAC Name Preferred":"Diiodotin","IUPAC Name Systematic":"Bis(iodanyl)tin","IUPAC Name Traditional":"Diiodotin",InChI:"1S/2HI.Sn/h2*1H;/q;;+2/p-2",InChIKey:"JTDNNCYXCFHBGG-UHFFFAOYSA-L","Exact Mass":373.71115,"Molecular Formula":"I2Sn","Molecular Weight":372.52,"Monoisotopic Mass":373.71115,Charge:0,"Easy Name":"Tin (II) iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I2Sn1"},25154:{PUBCHEM:{CID:"25154","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cadmium(2+);dinitrate","IUPAC Name CAS-like Style":"Cadmium(2+);dinitrate","IUPAC Name Markup":"Cadmium(2+);dinitrate","IUPAC Name Preferred":"Cadmium(2+);dinitrate","IUPAC Name Systematic":"Cadmium(2+);dinitrate","IUPAC Name Traditional":"Cadmium(2+);dinitrate",InChI:"1S/Cd.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"XIEPJMXMMWZAAV-UHFFFAOYSA-N","Exact Mass":237.879001,"Molecular Formula":"CdN2O6","Molecular Weight":236.42,"Monoisotopic Mass":237.879001,Charge:0,"Easy Name":"Cadmium nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White cubic crystals"},Density:{Value:"3.6 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of cadmium nitrate stem from its toxicologic properties. Toxic primarily by ingestion and inhalation, exposure to this odorless, colorless-to-white, crystalline substance may occur from its use in making other cadmium salts, in photographic emulsions, in coloring glass and procelain, and in the manufacture of nickel-cadmium batteries and turf fungicides. Effects from exposure may include headache, nausea, shortness of breath, chest pain, kidney damage, liver damage, emphysema, and intense pulmonary edema (possibly resulting in death). Processes and operations which may release cadmium fumes or dust should be enclosed and fitted with exhaust ventilation. In activities where overexposure is possible, workers should wear a high efficiency particulate filter respirator or self-contained breathing apparatus. Protective clothing also should be worn, including eye, face, and hand protection. All such clothing should be removed before leaving work. If contact should occur, immediately wash contaminated skin with large amounts of water. Do not eat, smoke, or drink in work areas. Cadmium nitrate presents only a moderate fire hazard (when in the form of dust) if exposed to heat, flame, or by chemical reaction with oxidizing agents, metals, hydrogen azide, zinc, selenium, or tellurium. Wear a self-contained breathing apparatus when fighting such fires. Cadmium nitrate should be stored in cool, well-ventilated areas, out of direct rays of sun, and away from combustibles and other fire hazards. Should hazardous concentrations of cadmium nitrate be released, first stop the discharge, then isolate and remove the discharged material. Before implementing land disposal of waste cadmium nitrate, consult environmental regulatory agencies for guidance."},"Melting Point":{Value:"360 °C"},Solubility:{Value:"Soluble in ammonia, alcohol"},Uses:{Value:"In making other cadmium salts; in photographic emulsions."}},ReducedFormula:"Cd1N2O6"},25155:{PUBCHEM:{CID:"25155","Compound Complexity":36.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;dichlorate","IUPAC Name CAS-like Style":"Magnesium;dichlorate","IUPAC Name Markup":"Magnesium;dichlorate","IUPAC Name Preferred":"Magnesium;dichlorate","IUPAC Name Systematic":"Magnesium;dichlorate","IUPAC Name Traditional":"Magnesium;dichlorate",InChI:"1S/2ClHO3.Mg/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",InChIKey:"NNNSKJSUQWKSAM-UHFFFAOYSA-L","Exact Mass":189.8922348,"Molecular Formula":"Cl2MgO6","Molecular Weight":191.2,"Monoisotopic Mass":189.8922348,Charge:0,"Easy Name":"Magnesium dichlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Mg1O6"},25212:{PUBCHEM:{CID:"25212","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;dinitrate","IUPAC Name CAS-like Style":"Magnesium;dinitrate","IUPAC Name Markup":"Magnesium;dinitrate","IUPAC Name Preferred":"Magnesium;dinitrate","IUPAC Name Systematic":"Magnesium;dinitrate","IUPAC Name Traditional":"Magnesium;dinitrate",InChI:"1S/Mg.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"YIXJRHPUWRPCBB-UHFFFAOYSA-N","Exact Mass":147.9606774,"Molecular Formula":"MgN2O6","Molecular Weight":148.32,"Monoisotopic Mass":147.9606774,Charge:0,"Easy Name":"Magnesium nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White cubic crystals"},Density:{Value:"Approx 2.3"},Solubility:{Value:"Very soluble in water"},Uses:{Value:"USED AS CATALYST IN MANUFACTURE OF PETROCHEMICALS AND AS A DESENSITIZER FOR LITHOGRAPHIC PLATES"},"Vapor Pressure":{Value:"0.494 mm Hg @ 25 °C (65.2 Pa)"}},ReducedFormula:"Mg1N2O6"},25247:{PUBCHEM:{CID:"25247","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Mercurous;nitrate","IUPAC Name CAS-like Style":"Mercury(1+);nitrate","IUPAC Name Markup":"Mercury(1+);nitrate","IUPAC Name Preferred":"Mercury(1+);nitrate","IUPAC Name Systematic":"Mercury(1+);nitrate","IUPAC Name Traditional":"Mercurous;nitrate",InChI:"1S/Hg.NO3/c;2-1(3)4/q+1;-1",InChIKey:"DRXYRSRECMWYAV-UHFFFAOYSA-N","Exact Mass":263.958461,"Molecular Formula":"HgNO3","Molecular Weight":262.6,"Monoisotopic Mass":263.958461,Charge:0,"Easy Name":"Mercury (I) nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Solid, white"},Density:{Value:"4.78 at 20 °C"},Odor:{Value:"Slight odor of nitric acid"},Solubility:{Value:"Water-soluble"},Uses:{Value:"Fire gilding, blackening brass"}},ReducedFormula:"Hg1N1O3"},25251:{PUBCHEM:{CID:"25251","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;trinitrate","IUPAC Name CAS-like Style":"Iron(3+);trinitrate","IUPAC Name Markup":"Iron(3+);trinitrate","IUPAC Name Preferred":"Iron(3+);trinitrate","IUPAC Name Systematic":"Iron(3+);trinitrate","IUPAC Name Traditional":"Ferric;trinitrate",InChI:"1S/Fe.3NO3/c;3*2-1(3)4/q+3;3*-1",InChIKey:"VCJMYUPGQJHHFU-UHFFFAOYSA-N","Exact Mass":241.898389,"Molecular Formula":"FeN3O9","Molecular Weight":241.86,"Monoisotopic Mass":241.898389,Charge:0,"Easy Name":"Iron (III) nitrate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"Mordant in dyeing; weighting silks; tanning; corrosion inhibitor; reagent in analytical chemistry."}},ReducedFormula:"Fe1N3O9"},25289:{PUBCHEM:{CID:"25289","Compound Complexity":122,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentahydroxy(oxo)-lambda7-iodane","IUPAC Name CAS-like Style":"Pentahydroxy(oxo)-lambda7-iodane","IUPAC Name Markup":"Pentahydroxy(oxo)-λ7-iodane","IUPAC Name Preferred":"Pentahydroxy(oxo)-lambda7-iodane","IUPAC Name Systematic":"Pentakis(oxidanyl)-oxidanylidene-lambda7-iodane","IUPAC Name Traditional":"Pentahydroxy(keto)-lambda7-iodane",InChI:"1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)",InChIKey:"TWLXDPFBEPBAQB-UHFFFAOYSA-N","Log P":-2.1,"Exact Mass":227.91308,"Molecular Formula":"H5IO6","Molecular Weight":227.94,"Monoisotopic Mass":227.91308,Charge:0,"Easy Name":"Orthoperiodic Acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H5I1O6"},25295:{PUBCHEM:{CID:"25295","Compound Complexity":264,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine","IUPAC Name CAS-like Style":"N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-(2-pyridinyl)ethane-1,2-diamine","IUPAC Name Markup":"N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine","IUPAC Name Preferred":"N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine","IUPAC Name Systematic":"N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-yl-ethane-1,2-diamine","IUPAC Name Traditional":"(4-chlorobenzyl)-[2-(dimethylamino)ethyl]-(2-pyridyl)amine",InChI:"1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3",InChIKey:"ICKFFNBDFNZJSX-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":289.1345754,"Molecular Formula":"C16H20ClN3","Molecular Weight":289.8,"Monoisotopic Mass":289.1345754,Charge:0,"Easy Name":"Chloropyramine","Easy Category":"Histamine antagonist"},HSDB:{},ReducedFormula:"C16Cl1H20N3"},25302:{PUBCHEM:{CID:"25302","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;dibromide","IUPAC Name CAS-like Style":"Strontium;dibromide","IUPAC Name Markup":"Strontium;dibromide","IUPAC Name Preferred":"Strontium;dibromide","IUPAC Name Systematic":"Strontium;dibromide","IUPAC Name Traditional":"Strontium;dibromide",InChI:"1S/2BrH.Sr/h2*1H;/q;;+2/p-2",InChIKey:"YJPVTCSBVRMESK-UHFFFAOYSA-L","Exact Mass":247.74024,"Molecular Formula":"Br2Sr","Molecular Weight":247.4,"Monoisotopic Mass":245.74229,Charge:0,"Easy Name":"Strontium bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br2Sr1"},25353:{PUBCHEM:{CID:"25353","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloro thiohypochlorite","IUPAC Name CAS-like Style":"Thiohypochlorous acid chloro ester","IUPAC Name Markup":"Chloro thiohypochlorite","IUPAC Name Preferred":"Chloro thiohypochlorite","IUPAC Name Systematic":"Chloranyl thiohypochlorite","IUPAC Name Traditional":"Thiohypochlorous acid chloro ester",InChI:"1S/Cl2S/c1-3-2",InChIKey:"FWMUJAIKEJWSSY-UHFFFAOYSA-N","Log P":2,"Exact Mass":101.9097766,"Molecular Formula":"Cl2S","Molecular Weight":102.97,"Monoisotopic Mass":101.9097766,Charge:0,"Easy Name":"Sulfur dichloride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"59 °C (decomp)"},"Color And Form":{Value:"Red viscous liquid"},Density:{Value:"1.621 at 15 °C/15 °C"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of sulfur dichloride stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this dark red, pungent-smelling liquid may occur from its use in rubber vulcanizing, as a chlorinating agent, in purifying sugars, and as an intermediate in the manufacture of organic chemicals and pesticides such as parathion. Effects from exposure may include headache, dizziness, nausea, contact burns to the skin and eyes, shortness of breath, respiratory irritation, pulmonary edema, respiratory distress and failure. In activities and situations where over-exposure may occur, wear a self-contained breathing apparatus and acid-resistant protective clothing that will prevent any skin contact. If contact should occur, immediately irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Sulfur dichloride worksites should be equipped with emergency showers and eyewash equipment for this purpose. Contaminated clothing and shoes should be removed and left at the worksite. While sulfur dichloride does not burn easily, it may ignite other combustible materials (eg, wood, paper, oil). Also, it may create an explosion hazard if its heavier-than-air vapor is allowed to accumulate in confined spaces such as sewers. For fires involving sulfur dichloride, extinguish with dry chemical , CO2, or Halon. Because sulfur dichloride may react violently with water, use water only if large quantities of combustibles are involved. If water is used, apply it in flooding quantities as spray or fog, from as far a distance as possible. Sulfur dichloride should be stored in cool, well ventilated areas, away from combustible materials and oxidizers. This material is readily hydrolyzed by water, becoming highly corrosive to metals. Sulfur dichloride may be shipped via road and water in containers bearing the label, "Corrosive." Spills of sulfur dichloride on land should first be diked with soil, sand bags, foamed polyurethane, or foamed concrete; the bulk liquid absorbed with fly ash or cement powder (water spray or mist may need to be applied to knock down vapor); and soda ash or slaked lime applied for neutralization. Spills in bodies of water should be neutralized with agricultural lime, crushed limestone, or sodium bicarbonate, then mechanical dredges or lifts used to remove the immobilized masses of pollutants and precipitates. Before implementing land disposal of sulfur dichloride waste, consult with environmental regulatory agencies for guidance.'},"Melting Point":{Value:"-122 °C"},"NFPA Hazard Classification":{Value:"3-1-1"},Odor:{Value:"Pungent chlorine odor"},"Refractive Index":{Value:"Index of refraction: 1.567 at 20 °C"},Solubility:{Value:"Slightly soluble in aliphatic hydrocarbons; very soluble in benzene and carbon tetrachloride"},Uses:{Value:"Precursor to mustard gas and thionyl chloride."},"Vapor Density":{Value:"3.55 (Air = 1)"},"Vapor Pressure":{Value:"21.6 kPa /162 mm Hg/ at 20 °C"},Viscosity:{Value:"0.548 cP at 20 °C"}},ReducedFormula:"Cl2S1"},25402:{PUBCHEM:{CID:"25402","Compound Complexity":60.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3-methylhex-2-ene","IUPAC Name CAS-like Style":"3-methyl-2-hexene","IUPAC Name Markup":"3-methylhex-2-ene","IUPAC Name Preferred":"3-methylhex-2-ene","IUPAC Name Systematic":"3-methylhex-2-ene","IUPAC Name Traditional":"3-methylhex-2-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3",InChIKey:"JZMUUSXQSKCZNO-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"3-Methyl-2-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},25408:{PUBCHEM:{CID:"25408","Compound Complexity":194,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;oxido-(oxido(dioxo)chromio)oxy-dioxo-chromium","IUPAC Name CAS-like Style":"Disodium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Markup":"Disodium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Preferred":"Disodium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Systematic":"Disodium;oxidanidyl-(oxidanidyl-bis(oxidanylidene)chromio)oxy-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Disodium;(diketo(oxido)chromio)oxy-diketo-oxido-chromium",InChI:"1S/2Cr.2Na.7O/q;;2*+1;;;;;;2*-1",InChIKey:"KIEOKOFEPABQKJ-UHFFFAOYSA-N","Exact Mass":261.824951,"Molecular Formula":"Cr2Na2O7","Molecular Weight":261.97,"Monoisotopic Mass":261.824951,Charge:0,"Easy Name":"Sodium dichromate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"400 °C (decomposes)"},"Color And Form":{Value:"Light-brown to orange-red plates which are strongly hygroscopic"},Density:{Value:"2.52 g/cu cm at 13 °C"},"Melting Point":{Value:"356.7 °C"},Odor:{Value:"Odorless"},pH:{Value:"Solutions are acidic, pH of 1% soln 4.0 and pH of 10% soln 3.5."},Solubility:{Value:"In water, 187 g/100 g water at 25 °C"},Uses:{Value:"For sodium dichromate (USEPA/OPP Pesticide Code: 068304) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cr2Na2O7"},25423:{PUBCHEM:{CID:"25423","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Traditional":"Chloroamine",InChI:"1S/ClH2N/c1-2/h2H2",InChIKey:"QDHHCQZDFGDHMP-UHFFFAOYSA-N","Log P":.1,"Exact Mass":50.9875768,"Molecular Formula":"ClH2N","Molecular Weight":51.47,"Monoisotopic Mass":50.9875768,Charge:0,"Easy Name":"Chloramine","Easy Category":"Inorganic matter"},HSDB:{"Color And Form":{Value:"YELLOW LIQUID"},"Melting Point":{Value:"-66 °C"},Solubility:{Value:"Soluble in water, alcohol and ether"},Uses:{Value:"Chloramine is an intermediate in the manufacturing of hydrazine."}},ReducedFormula:"Cl1H2N1"},25489:{PUBCHEM:{CID:"25489","Compound Complexity":4,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dilithium;peroxide","IUPAC Name CAS-like Style":"Dilithium;peroxide","IUPAC Name Markup":"Dilithium;peroxide","IUPAC Name Preferred":"Dilithium;peroxide","IUPAC Name Systematic":"Dilithium;peroxide","IUPAC Name Traditional":"Dilithium;peroxide",InChI:"1S/2Li.O2/c;;1-2/q2*+1;-2",InChIKey:"HPGPEWYJWRWDTP-UHFFFAOYSA-N","Exact Mass":46.02183611,"Molecular Formula":"Li2O2","Molecular Weight":45.9,"Monoisotopic Mass":46.02183611,Charge:0,"Easy Name":"Lithium peroxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"Fine white powder to sandy yellow, granular material; moisture sensitive colorless hexagonal crystals"},Density:{Value:"2.31 g/cu cm"},"Melting Point":{Value:"Decomposes at melting point"},Solubility:{Value:"8% in water at 20 °C; 5.6% in anhydrous acetic acid at 20 °C; insoluble in absolute alcohol at 20 °C"},Uses:{Value:"Lithium peroxide is used in space technology because it absorbs carbon dioxide and liberates oxygen."}},ReducedFormula:"Li2O2"},25501:{PUBCHEM:{CID:"25501","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;dioxido(oxo)tin","IUPAC Name CAS-like Style":"Disodium;dioxido(oxo)tin","IUPAC Name Markup":"Disodium;dioxido(oxo)tin","IUPAC Name Preferred":"Disodium;dioxido(oxo)tin","IUPAC Name Systematic":"Disodium;bis(oxidanidyl)-oxidanylidene-tin","IUPAC Name Traditional":"Disodium;keto(dioxido)tin",InChI:"1S/2Na.3O.Sn/q2*+1;;2*-1;",InChIKey:"TVQLLNFANZSCGY-UHFFFAOYSA-N","Exact Mass":213.866484,"Molecular Formula":"Na2O3Sn","Molecular Weight":212.69,"Monoisotopic Mass":213.866484,Charge:0,"Easy Name":"Disodium stannate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2O3Sn1"},25503:{PUBCHEM:{CID:"25503","Compound Complexity":18.8,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicopper;carbonate;dihydroxide","IUPAC Name CAS-like Style":"Dicopper;carbonate;dihydroxide","IUPAC Name Markup":"Dicopper;carbonate;dihydroxide","IUPAC Name Preferred":"Dicopper;carbonate;dihydroxide","IUPAC Name Systematic":"Dicopper;carbonate;dihydroxide","IUPAC Name Traditional":"Dicupric;carbonate;dihydroxide",InChI:"1S/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+2;;/p-4",InChIKey:"ZMMDPCMYTCRWFF-UHFFFAOYSA-J","Exact Mass":219.849418,"Molecular Formula":"CH2Cu2O5","Molecular Weight":221.12,"Monoisotopic Mass":219.849418,Charge:0,"Easy Name":"Copper (II) carbonate basic","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1Cu2H2O5"},25514:{PUBCHEM:{CID:"25514","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;bromide","IUPAC Name CAS-like Style":"Ammonium;bromide","IUPAC Name Markup":"Azanium;bromide","IUPAC Name Preferred":"Azanium;bromide","IUPAC Name Systematic":"Azanium;bromide","IUPAC Name Traditional":"Ammonium;bromide",InChI:"1S/BrH.H3N/h1H;1H3",InChIKey:"SWLVFNYSXGMGBS-UHFFFAOYSA-N","Exact Mass":96.95271,"Molecular Formula":"BrH4N","Molecular Weight":97.94,"Monoisotopic Mass":96.95271,Charge:0,"Easy Name":"Ammonium bromide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"396 °C (sublimation point)"},"Color And Form":{Value:"White tetragonal crystals"},Density:{Value:"2.429 at 25 °C"},"Melting Point":{Value:"542 °C (decomposes)"},Odor:{Value:"Odorless"},pH:{Value:"Slightly acid to litmus"},"Refractive Index":{Value:"Index of refraction: 1.712 at 25 °C"},Solubility:{Value:"In water, 78.3 g/100 g water at 25 °C"},Taste:{Value:"Pungent, saline taste"},Uses:{Value:"For ammonium bromide (USEPA/OPP Pesticide Code: 000352) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Br1H4N1"},25515:{PUBCHEM:{CID:"25515","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;sulfanide","IUPAC Name CAS-like Style":"Ammonium;sulfanide","IUPAC Name Markup":"Azanium;sulfanide","IUPAC Name Preferred":"Azanium;sulfanide","IUPAC Name Systematic":"Azanium;sulfanide","IUPAC Name Traditional":"Ammonium;bisulfide",InChI:"1S/H3N.H2S/h1H3;1H2",InChIKey:"HIVLDXAAFGCOFU-UHFFFAOYSA-N","Exact Mass":51.01427034,"Molecular Formula":"H5NS","Molecular Weight":51.11,"Monoisotopic Mass":51.01427034,Charge:0,"Easy Name":"Ammonium hydrosulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H5N1S1"},25516:{PUBCHEM:{CID:"25516","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;fluoride","IUPAC Name CAS-like Style":"Ammonium;fluoride","IUPAC Name Markup":"Azanium;fluoride","IUPAC Name Preferred":"Azanium;fluoride","IUPAC Name Systematic":"Azanium;fluoride","IUPAC Name Traditional":"Ammonium;fluoride",InChI:"1S/FH.H3N/h1H;1H3",InChIKey:"LDDQLRUQCUTJBB-UHFFFAOYSA-N","Exact Mass":37.0327773,"Molecular Formula":"FH4N","Molecular Weight":37.037,"Monoisotopic Mass":37.0327773,Charge:0,"Easy Name":"Ammonium fluoride","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Deliquescent leaflets or needles; hexagonal prisms by sublimation; occurs commercially as a granular powder"},Density:{Value:"1.015"},"Melting Point":{Value:"238 °C"},"NFPA Hazard Classification":{Value:"3-0-0"},Odor:{Value:"Odorless"},pH:{Value:"The aqueous solution is acidic."},Solubility:{Value:"83.5 g/100 g water at 25 °C"},Uses:{Value:"Etching and frosting glass, as antiseptic in brewing beer; preserving wood; in printing and dyeing textiles; as mothproofing agent"}},ReducedFormula:"F1H4N1"},25517:{PUBCHEM:{CID:"25517","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;chloride","IUPAC Name CAS-like Style":"Ammonium;chloride","IUPAC Name Markup":"Azanium;chloride","IUPAC Name Preferred":"Azanium;chloride","IUPAC Name Systematic":"Azanium;chloride","IUPAC Name Traditional":"Ammonium;chloride",InChI:"1S/ClH.H3N/h1H;1H3",InChIKey:"NLXLAEXVIDQMFP-UHFFFAOYSA-N","Exact Mass":53.0032268,"Molecular Formula":"ClH4N","Molecular Weight":53.49,"Monoisotopic Mass":53.0032268,Charge:0,"Easy Name":"Ammonium chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"338 °C (sublimes)"},"Color And Form":{Value:"Colorless crystals or crystalline masses, or white, granular powder"},"Critical Temperature And Pressure":{Value:"Critical temperature: 1155 K; critical pressure: 163.5 MPa"},Density:{Value:"1.519 g/cu cm"},"Melting Point":{Value:"520.1 (triple point; decomposes)"},Odor:{Value:"Odorless"},pH:{Value:"pH of aqueous solution (25 °C): 1% 5.5; 3% 5.1; 10% 5.0"},"Refractive Index":{Value:"Index of refraction: 1.642"},Solubility:{Value:"In water, 39.5 g/100 g water at 25 °C"},Taste:{Value:"Cooling, saline"},Uses:{Value:"Mesh Heading: diuretics, expectorants"},"Vapor Pressure":{Value:"1 Pa at 91 °C (solid); 10 Pa at 121 °C (solid); 100 Pa at 159 °C (solid); 1kPa at 204.7 °C (solid); 10 kPa at 263.1 °C (solid); 100 kPa at 339.5 °C (solid)"}},ReducedFormula:"Cl1H4N1"},25519:{PUBCHEM:{CID:"25519","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;sulfide","IUPAC Name CAS-like Style":"Diammonium;sulfide","IUPAC Name Markup":"Diazanium;sulfide","IUPAC Name Preferred":"Diazanium;sulfide","IUPAC Name Systematic":"Diazanium;sulfide","IUPAC Name Traditional":"Diammonium;sulfide",InChI:"1S/2H3N.S/h2*1H3;/q;;-2/p+2",InChIKey:"UYJXRRSPUVSSMN-UHFFFAOYSA-P","Exact Mass":68.04081944,"Molecular Formula":"H8N2S","Molecular Weight":68.15,"Monoisotopic Mass":68.04081944,Charge:0,"Easy Name":"Ammonium sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H8N2S1"},25524:{PUBCHEM:{CID:"25524","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":6,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;antimony(3+);hexahydroxide","IUPAC Name CAS-like Style":"Potassium;antimony(3+);hexahydroxide","IUPAC Name Markup":"Potassium;antimony(3+);hexahydroxide","IUPAC Name Preferred":"Potassium;antimony(3+);hexahydroxide","IUPAC Name Systematic":"Potassium;antimony(3+);hexahydroxide","IUPAC Name Traditional":"Potassium;antimony(3+);hexahydroxide",InChI:"1S/K.6H2O.Sb/h;6*1H2;/q+1;;;;;;;+3/p-6",InChIKey:"IDVSLFDKDQVCAP-UHFFFAOYSA-H","Exact Mass":261.88395,"Molecular Formula":"H6KO6Sb-2","Molecular Weight":262.9,"Monoisotopic Mass":261.88395,Charge:-2,"Easy Name":"Potassium hexahydroxyantimonate (1-)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-2H6K1O6Sb1"},25554:{PUBCHEM:{CID:"25554","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tribromoiron","IUPAC Name CAS-like Style":"Tribromoiron","IUPAC Name Markup":"Tribromoiron","IUPAC Name Preferred":"Tribromoiron","IUPAC Name Systematic":"Tris(bromanyl)iron","IUPAC Name Traditional":"Tribromoiron",InChI:"1S/3BrH.Fe/h3*1H;/q;;;+3/p-3",InChIKey:"FEONEKOZSGPOFN-UHFFFAOYSA-K","Exact Mass":294.6879,"Molecular Formula":"Br3Fe","Molecular Weight":295.56,"Monoisotopic Mass":292.68995,Charge:0,"Easy Name":"Iron (III) bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br3Fe1"},25563:{PUBCHEM:{CID:"25563","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichloroiridium","IUPAC Name CAS-like Style":"Trichloroiridium","IUPAC Name Markup":"Trichloroiridium","IUPAC Name Preferred":"Trichloroiridium","IUPAC Name Systematic":"Tris(chloranyl)iridium","IUPAC Name Traditional":"Trichloroiridium",InChI:"1S/3ClH.Ir/h3*1H;/q;;;+3/p-3",InChIKey:"DANYXEHCMQHDNX-UHFFFAOYSA-K","Exact Mass":297.86948,"Molecular Formula":"Cl3Ir","Molecular Weight":298.57,"Monoisotopic Mass":297.86948,Charge:0,"Easy Name":"Iridium (III) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl3Ir1"},25701:{PUBCHEM:{CID:"25701","Compound Complexity":214,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"2-amino-3-sulfo-propanoic acid","IUPAC Name CAS-like Style":"2-amino-3-sulfopropanoic acid","IUPAC Name Markup":"2-amino-3-sulfopropanoic acid","IUPAC Name Preferred":"2-amino-3-sulfopropanoic acid","IUPAC Name Systematic":"2-azanyl-3-sulfo-propanoic acid","IUPAC Name Traditional":"2-amino-3-sulfo-propionic acid",InChI:"1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)",InChIKey:"XVOYSCVBGLVSOL-UHFFFAOYSA-N","Log P":-4.5,"Exact Mass":169.0044935,"Molecular Formula":"C3H7NO5S","Molecular Weight":169.16,"Monoisotopic Mass":169.0044935,Charge:0,"Easy Name":"DL-Cysteic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C3H7N1O5S1"},25717:{PUBCHEM:{CID:"25717","Compound Complexity":44.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,2,2,3-tetrachloropropane","IUPAC Name CAS-like Style":"1,2,2,3-tetrachloropropane","IUPAC Name Markup":"1,2,2,3-tetrachloropropane","IUPAC Name Preferred":"1,2,2,3-tetrachloropropane","IUPAC Name Systematic":"1,2,2,3-tetrakis(chloranyl)propane","IUPAC Name Traditional":"1,2,2,3-tetrachloropropane",InChI:"1S/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2",InChIKey:"UDPHJTAYHSSOQB-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":181.903761,"Molecular Formula":"C3H4Cl4","Molecular Weight":181.9,"Monoisotopic Mass":179.906711,Charge:0,"Easy Name":"1, 2, 2, 3-Tetrachloropropane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3Cl4H4"},25731:{PUBCHEM:{CID:"25731","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);nitrate","IUPAC Name CAS-like Style":"Rubidium(1+);nitrate","IUPAC Name Markup":"Rubidium(1+);nitrate","IUPAC Name Preferred":"Rubidium(1+);nitrate","IUPAC Name Systematic":"Rubidium(1+);nitrate","IUPAC Name Traditional":"Rubidium(1+);nitrate",InChI:"1S/NO3.Rb/c2-1(3)4;/q-1;+1",InChIKey:"RTHYXYOJKHGZJT-UHFFFAOYSA-N","Exact Mass":146.8996076,"Molecular Formula":"NO3Rb","Molecular Weight":147.473,"Monoisotopic Mass":146.8996076,Charge:0,"Easy Name":"Rubidium nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"N1O3Rb1"},25736:{PUBCHEM:{CID:"25736","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;dinitrate","IUPAC Name CAS-like Style":"Nickel(2+);dinitrate","IUPAC Name Markup":"Nickel(2+);dinitrate","IUPAC Name Preferred":"Nickel(2+);dinitrate","IUPAC Name Systematic":"Nickel(2+);dinitrate","IUPAC Name Traditional":"Nickelous;dinitrate",InChI:"1S/2NO3.Ni/c2*2-1(3)4;/q2*-1;+2",InChIKey:"KBJMLQFLOWQJNF-UHFFFAOYSA-N","Exact Mass":181.910978,"Molecular Formula":"N2NiO6","Molecular Weight":182.7,"Monoisotopic Mass":181.910978,Charge:0,"Easy Name":"Nickel (II) nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"GREEN CRYSTALS"},Solubility:{Value:"3 G/100 ML HYDRAZINE AT 20 °C"},Uses:{Value:"Nickel-plating; mfr of brown ceramic colors"}},ReducedFormula:"N2Ni1O6"},25879:{PUBCHEM:{CID:"25879","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Beryllium;dihydroxide","IUPAC Name CAS-like Style":"Beryllium;dihydroxide","IUPAC Name Markup":"Beryllium;dihydroxide","IUPAC Name Preferred":"Beryllium;dihydroxide","IUPAC Name Systematic":"Beryllium;dihydroxide","IUPAC Name Traditional":"Beryllium;dihydroxide",InChI:"1S/Be.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"WPJWIROQQFWMMK-UHFFFAOYSA-L","Exact Mass":43.0176624,"Molecular Formula":"BeH2O2","Molecular Weight":43.027,"Monoisotopic Mass":43.0176624,Charge:0,"Easy Name":"Beryllium hydroxide","Easy Category":"Hydroxide"},HSDB:{"Color And Form":{Value:"White powder or crystals (alpha); colorless tetrahedral crystals (beta)"},Density:{Value:"1.92 g/cu cm (alpha)"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of beryllium hydroxide stem from its toxicologic properties. Toxic primarily by inhalation and dermal contact, exposure to this white, crystalline substance may occur from its use in the manufacture of beryllium and beryllium oxide. Effects from exposure may include skin ulceration, headache, fatigue, chest pain, shortness of breath, pulmonary edema, and possibly death from heart failure. The OSHA PEL and ACGIH TLV are set at a TWA of 2 ug/cu m. Engineering control of process equipment (eg, enclosure and local exhaust ventilation) should be used to prevent inhalation and skin contact with beryllium hydroxide. In activities where over-exposure is possible, workers should wear a self-contained breathing apparatus. Protective clothing also should be worn, including protective suits (preferably disposable, one-piece, and close-fitting at the ankles and wrists), gloves, hair covering, and overshoes. Work clothes should not be taken home. Eating, smoking, and drinking in beryllium hydroxide work areas should be prohibited. Shipping regulations and other DOT regulatory requirements should be consulted before transport. In cleaning spills of beryllium hydroxide, use a wet mop, or vacuum cleaner equipped with a high efficiency particulate filter. Do not dry sweep, dry mop, or use any such method that would disperse the dust. Before implementing land disposal of waste beryllium hydroxide, consult with environmental regulatory agencies for guidance."},"Melting Point":{Value:"Approximately 200 °C (alpha); decomposes at 138 °C (beta)"},Solubility:{Value:"Slightly soluble in water, alkali solutions; soluble in acid solutions (alpha)"},Uses:{Value:"The basic raw material for processing into beryllium metal, copper-beryllium and other alloys, and beryllia for ceramic products."}},ReducedFormula:"Be1H2O2"},25945:{PUBCHEM:{CID:"25945","Compound Complexity":70.1,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"5-hydroxypentanoic acid","IUPAC Name CAS-like Style":"5-hydroxypentanoic acid","IUPAC Name Markup":"5-hydroxypentanoic acid","IUPAC Name Preferred":"5-hydroxypentanoic acid","IUPAC Name Systematic":"5-oxidanylpentanoic acid","IUPAC Name Traditional":"5-hydroxyvaleric acid",InChI:"1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)",InChIKey:"PHOJOSOUIAQEDH-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":118.06299418,"Molecular Formula":"C5H10O3","Molecular Weight":118.13,"Monoisotopic Mass":118.06299418,Charge:0,"Easy Name":"5-hydroxyvaleric acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C5H10O3"},25951:{PUBCHEM:{CID:"25951","Compound Complexity":316,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrasodium;2,4,6,8-tetraoxido-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide","IUPAC Name CAS-like Style":"Tetrasodium;2,4,6,8-tetraoxido-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide","IUPAC Name Markup":"Tetrasodium;2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide","IUPAC Name Preferred":"Tetrasodium;2,4,6,8-tetraoxido-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide","IUPAC Name Systematic":"Tetrasodium;2,4,6,8-tetrakis(oxidanidyl)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide","IUPAC Name Traditional":"Tetrasodium;2,4,6,8-tetraoxido-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide",InChI:"1S/4Na.H4O12P4/c;;;;1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)/q4*+1;/p-4",InChIKey:"UDEJEOLNSNYQSX-UHFFFAOYSA-J","Exact Mass":407.79310056,"Molecular Formula":"Na4O12P4","Molecular Weight":407.85,"Monoisotopic Mass":407.79310056,Charge:0,"Easy Name":"Sodium tetrametaphosphate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"PHOSPHATE BUILDER IN HOUSEHOLD DETERGENTS; AGENT IN WATER CONDITIONING; ADDITIVE IN MEAT, FISH, POULTRY, & PROCESSED CHEESE; ABRASIVE IN TOOTHPASTE"}},ReducedFormula:"Na4O12P4"},25953:{PUBCHEM:{CID:"25953","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;fluoride","IUPAC Name CAS-like Style":"Cesium;fluoride","IUPAC Name Markup":"Cesium;fluoride","IUPAC Name Preferred":"Cesium;fluoride","IUPAC Name Systematic":"Cesium;fluoride","IUPAC Name Traditional":"Cesium;fluoride",InChI:"1S/Cs.FH/h;1H/q+1;/p-1",InChIKey:"XJHCXCQVJFPJIK-UHFFFAOYSA-M","Exact Mass":151.90385512,"Molecular Formula":"CsF","Molecular Weight":151.9038551,"Monoisotopic Mass":151.90385512,Charge:0,"Easy Name":"Caesium fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs1F1"},25960:{PUBCHEM:{CID:"25960","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;selenate","IUPAC Name CAS-like Style":"Disodium;selenate","IUPAC Name Markup":"Disodium;selenate","IUPAC Name Preferred":"Disodium;selenate","IUPAC Name Systematic":"Disodium;selenate","IUPAC Name Traditional":"Disodium;selenate",InChI:"1S/2Na.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"MHQOTKLEMKRJIR-UHFFFAOYSA-L","Exact Mass":189.87572,"Molecular Formula":"Na2O4Se","Molecular Weight":188.95,"Monoisotopic Mass":189.87572,Charge:0,"Easy Name":"Sodium selenate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystals /Decahydrate/"},Density:{Value:"3.098"},Solubility:{Value:"At 25 °C, 58.5 g/100 g water (5.85X10+5 mg/L)"},Uses:{Value:"Insecticide in some horticultural applications"}},ReducedFormula:"Na2O4Se1"},26004:{PUBCHEM:{CID:"26004","Compound Complexity":7.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;nitrite","IUPAC Name CAS-like Style":"Ammonium;nitrite","IUPAC Name Markup":"Azanium;nitrite","IUPAC Name Preferred":"Azanium;nitrite","IUPAC Name Systematic":"Azanium;nitrite","IUPAC Name Traditional":"Ammonium;nitrite",InChI:"1S/HNO2.H3N/c2-1-3;/h(H,2,3);1H3",InChIKey:"CAMXVZOXBADHNJ-UHFFFAOYSA-N","Exact Mass":64.027277377,"Molecular Formula":"H4N2O2","Molecular Weight":64.044,"Monoisotopic Mass":64.027277377,Charge:0,"Easy Name":"Ammonium nitrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H4N2O2"},26030:{PUBCHEM:{CID:"26030","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichlorogold","IUPAC Name CAS-like Style":"Trichlorogold","IUPAC Name Markup":"Trichlorogold","IUPAC Name Preferred":"Trichlorogold","IUPAC Name Systematic":"Tris(chloranyl)gold","IUPAC Name Traditional":"Trichlorogold",InChI:"1S/Au.3ClH/h;3*1H/q+3;;;/p-3",InChIKey:"RJHLTVSLYWWTEF-UHFFFAOYSA-K","Exact Mass":301.873128,"Molecular Formula":"AuCl3","Molecular Weight":303.32,"Monoisotopic Mass":301.873128,Charge:0,"Easy Name":"Gold (III) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Au1Cl3"},26031:{PUBCHEM:{CID:"26031","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachloroplatinum","IUPAC Name CAS-like Style":"Tetrachloroplatinum","IUPAC Name Markup":"Tetrachloroplatinum","IUPAC Name Preferred":"Tetrachloroplatinum","IUPAC Name Systematic":"Tetrakis(chloranyl)platinum","IUPAC Name Traditional":"Tetrachloroplatinum",InChI:"1S/4ClH.Pt/h4*1H;/q;;;;+4/p-4",InChIKey:"FBEIPJNQGITEBL-UHFFFAOYSA-J","Exact Mass":336.837255,"Molecular Formula":"Cl4Pt","Molecular Weight":336.9,"Monoisotopic Mass":334.840205,Charge:0,"Easy Name":"Platinum (IV) chloride","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Brown-red cubic crystals"},Density:{Value:"4.3 @ 25 °C"},"Melting Point":{Value:"327 °C (decomposes)"},Solubility:{Value:"58.7 g/100 cc cold water @ 25 °C; very sol in hot water; slightly soluble in alcohol, ammonia; sol in acetone; insoluble in ether"},Uses:{Value:"Used as catalyst for /the following/: alkoxycarbonylation of dienes; carboxylation of allyl chloride; homologation of methanol; oxidative chlorination of alkanes"}},ReducedFormula:"Cl4Pt1"},26038:{PUBCHEM:{CID:"26038","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diiodonickel","IUPAC Name CAS-like Style":"Diiodonickel","IUPAC Name Markup":"Diiodonickel","IUPAC Name Preferred":"Diiodonickel","IUPAC Name Systematic":"Bis(iodanyl)nickel","IUPAC Name Traditional":"Diiodonickel",InChI:"1S/2HI.Ni/h2*1H;/q;;+2/p-2",InChIKey:"BFSQJYRFLQUZKX-UHFFFAOYSA-L","Exact Mass":311.74429,"Molecular Formula":"I2Ni","Molecular Weight":312.502,"Monoisotopic Mass":311.74429,Charge:0,"Easy Name":"Nickel (II) iodide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Iron-black color"},Density:{Value:"5.834"},"Melting Point":{Value:"780 °C"},Solubility:{Value:"124.2 G/100 CC WATER AT 0 °C"},Uses:{Value:"Nickel iodide has been used as a catalyst in the addition of carbon monoxide to organic cmpd."}},ReducedFormula:"I2Ni1"},26042:{PUBCHEM:{CID:"26042","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxotitanium","IUPAC Name CAS-like Style":"Dioxotitanium","IUPAC Name Markup":"Dioxotitanium","IUPAC Name Preferred":"Dioxotitanium","IUPAC Name Systematic":"Bis(oxidanylidene)titanium","IUPAC Name Traditional":"Diketotitanium",InChI:"1S/2O.Ti",InChIKey:"GWEVSGVZZGPLCZ-UHFFFAOYSA-N","Exact Mass":79.93777,"Molecular Formula":"O2Ti","Molecular Weight":79.87,"Monoisotopic Mass":79.93777,Charge:0,"Easy Name":"Titanium dioxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"2500-3000 °C"},"Color And Form":{Value:"White, tetragonal crystals"},Density:{Value:"4.23"},"Melting Point":{Value:"1855 °C"},Odor:{Value:"Odorless"},pH:{Value:"SUSPENSION IN WATER (1 IN 10) IS NEUTRAL TO LITMUS"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.616; 2.903"},Solubility:{Value:"Insoluble in water"},Taste:{Value:"TASTELESS"},Uses:{Value:"Airfloated ilmenite is used for titanium pigment manuf. Rutile sand is suitable for welding-rod-coating materials, as ceramic colorant, as source of titanium metal. As color in the food industry. Anatase titanium dioxide is used for welding-rod-coatings, acid resistant vitreous enamels, in specification paints, exterior white house paints, acetate rayon, white interior air-dry and baked enamels and lacquers, inks and plastics, for paper filling and coating, in water paints, tanners' leather finishes, shoe whiteners, and ceramics. High opacity and tinting values are claimed for rutile-like pigments. Pharmaceutic aid (coating agent)."}},ReducedFormula:"O2Ti1"},26051:{PUBCHEM:{CID:"26051","Compound Complexity":19.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrasodium;silicate","IUPAC Name CAS-like Style":"Tetrasodium;silicate","IUPAC Name Markup":"Tetrasodium;silicate","IUPAC Name Preferred":"Tetrasodium;silicate","IUPAC Name Systematic":"Tetrasodium;silicate","IUPAC Name Traditional":"Tetrasodium;orthosilicate",InChI:"1S/4Na.O4Si/c;;;;1-5(2,3)4/q4*+1;-4",InChIKey:"POWFTOSLLWLEBN-UHFFFAOYSA-N","Exact Mass":183.91566214,"Molecular Formula":"Na4O4Si","Molecular Weight":184.04,"Monoisotopic Mass":183.91566214,Charge:0,"Easy Name":"Tetrasodium orthosilicate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na4O4Si1"},26052:{PUBCHEM:{CID:"26052","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;dioxido(dioxo)tungsten","IUPAC Name CAS-like Style":"Disodium;dioxido(dioxo)tungsten","IUPAC Name Markup":"Disodium;dioxido(dioxo)tungsten","IUPAC Name Preferred":"Disodium;dioxido(dioxo)tungsten","IUPAC Name Systematic":"Disodium;bis(oxidanidyl)-bis(oxidanylidene)tungsten","IUPAC Name Traditional":"Disodium;diketo(dioxido)tungsten",InChI:"1S/2Na.4O.W/q2*+1;;;2*-1;",InChIKey:"XMVONEAAOPAGAO-UHFFFAOYSA-N","Exact Mass":293.91013,"Molecular Formula":"Na2O4W","Molecular Weight":293.8,"Monoisotopic Mass":293.91013,Charge:0,"Easy Name":"Sodium tungstate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"WHITE, RHOMBIC"},Density:{Value:"4.179"},"Melting Point":{Value:"698 °C"},Solubility:{Value:"SOL 57.5 G/100 CC WATER @ 0 °C; 73.2 G @ 21 °C; 96.9 G @ 100 °C"},Uses:{Value:"Fireproofing and waterproofing fabrics; preparing complex compd, such as phosphotungstate, silicotungstate; as a reagent for biological products; precipitant for alkaloids"}},ReducedFormula:"Na2O4W1"},26053:{PUBCHEM:{CID:"26053","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;trinitrate","IUPAC Name CAS-like Style":"Aluminum;trinitrate","IUPAC Name Markup":"Aluminum;trinitrate","IUPAC Name Preferred":"Aluminum;trinitrate","IUPAC Name Systematic":"Aluminum;trinitrate","IUPAC Name Traditional":"Aluminum;trinitrate",InChI:"1S/Al.3NO3/c;3*2-1(3)4/q+3;3*-1",InChIKey:"JLDSOYXADOWAKB-UHFFFAOYSA-N","Exact Mass":212.944992,"Molecular Formula":"AlN3O9","Molecular Weight":213,"Monoisotopic Mass":212.944992,Charge:0,"Easy Name":"Aluminium nitrate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"Tanning leather; antiperspirant; corrosion inhibitor; extraction of uranium; nitrating agent."}},ReducedFormula:"Al1N3O9"},26057:{PUBCHEM:{CID:"26057","Compound Complexity":93.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2,2,3,3-tetramethylhexane","IUPAC Name CAS-like Style":"2,2,3,3-tetramethylhexane","IUPAC Name Markup":"2,2,3,3-tetramethylhexane","IUPAC Name Preferred":"2,2,3,3-tetramethylhexane","IUPAC Name Systematic":"2,2,3,3-tetramethylhexane","IUPAC Name Traditional":"2,2,3,3-tetramethylhexane",InChI:"1S/C10H22/c1-7-8-10(5,6)9(2,3)4/h7-8H2,1-6H3",InChIKey:"RMQHJMMCLSJULX-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":142.17215071,"Molecular Formula":"C10H22","Molecular Weight":142.28,"Monoisotopic Mass":142.17215071,Charge:0,"Easy Name":"2, 2, 3, 3-Tetramethylhexane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C10H22"},26059:{PUBCHEM:{CID:"26059","Compound Complexity":36.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dichlorate","IUPAC Name CAS-like Style":"Barium(2+);dichlorate","IUPAC Name Markup":"Barium(2+);dichlorate","IUPAC Name Preferred":"Barium(2+);dichlorate","IUPAC Name Systematic":"Barium(2+);dichlorate","IUPAC Name Traditional":"Barium(2+);dichlorate",InChI:"1S/Ba.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",InChIKey:"ISFLYIRWQDJPDR-UHFFFAOYSA-L","Exact Mass":303.81244,"Molecular Formula":"BaCl2O6","Molecular Weight":304.23,"Monoisotopic Mass":303.81244,Charge:0,"Easy Name":"Barium chlorate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystals"},Density:{Value:"3.179 /Monohydrate/"},"Melting Point":{Value:"414 °C"},Solubility:{Value:"Slightly soluble in ethanol, acetone"},Uses:{Value:"Pyrotechnics, explosives, textile mordant, manufacture of other chlorates."}},ReducedFormula:"Ba1Cl2O6"},26060:{PUBCHEM:{CID:"26060","Compound Complexity":36.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cadmium(2+);diphosphate","IUPAC Name CAS-like Style":"Cadmium(2+);diphosphate","IUPAC Name Markup":"Cadmium(2+);diphosphate","IUPAC Name Preferred":"Cadmium(2+);diphosphate","IUPAC Name Systematic":"Cadmium(2+);diphosphate","IUPAC Name Traditional":"Cadmium(2+);diphosphate",InChI:"1S/3Cd.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",InChIKey:"NRGIRRZWCDKDMV-UHFFFAOYSA-H","Exact Mass":529.616335,"Molecular Formula":"Cd3O8P2","Molecular Weight":527.2,"Monoisotopic Mass":531.616936,Charge:0,"Easy Name":"Cadmium (II) phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cd3O8P2"},26077:{PUBCHEM:{CID:"26077","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Beryllium;sulfate","IUPAC Name CAS-like Style":"Beryllium;sulfate","IUPAC Name Markup":"Beryllium;sulfate","IUPAC Name Preferred":"Beryllium;sulfate","IUPAC Name Systematic":"Beryllium;sulfate","IUPAC Name Traditional":"Beryllium;sulfate",InChI:"1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"KQHXBDOEECKORE-UHFFFAOYSA-L","Exact Mass":104.9639127,"Molecular Formula":"BeO4S","Molecular Weight":105.08,"Monoisotopic Mass":104.9639127,Charge:0,"Easy Name":"Beryllium sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless, tetrahedral crystals"},Density:{Value:"2.5 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of beryllium sulfate stem from its toxicologic properties. Toxic primarily by inhalation and dermal contact, effects from exposure to this odorless, crystalline solid substance may include skin ulceration, headache, fatigue, fever, chest pain, pulmonary edema, and possibly death from heart failure. The OSHA PEL and ACGIH TLV are set at a TWA of 2 ug/cu m. Engineering control of process equipment (eg, enclosure and local exhaust ventilation) should be used to prevent inhalation and skin contact with beryllium sulfate. In activities where over-exposure is possible, workers should wear a self-contained breathing apparatus with a full facepiece. Protective clothing also should be worn, including protective suits (preferably disposable, one-piece, and close-fitting at the ankles and wrists), gloves, hair covering, and overshoes. Work clothes should not be taken home. Eating, smoking, and drinking in beryllium sulfate work areas should be prohibited. Shipping regulations and other DOT regulatory requirements should be consulted before transport. Containers should be protected from physical damage, and stored in dry areas, away from acids, caustics, chlorinated hydrocarbons, and oxidizing materials. Before implementing land disposal of waste beryllium sulfate, consult with environmental regulatory agencies for guidance."},"Melting Point":{Value:"1127 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 41.3 g/100 g water at 25 °C"},Uses:{Value:"Primarily used for the production of beryllium oxide powder for ceramics."}},ReducedFormula:"Be1O4S1"},26090:{PUBCHEM:{CID:"26090","Compound Complexity":221,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Hydroxy-(hydroxy(dioxo)chromio)oxy-dioxo-chromium","IUPAC Name CAS-like Style":"Hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium","IUPAC Name Markup":"Hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium","IUPAC Name Preferred":"Hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium","IUPAC Name Systematic":"Oxidanyl-(oxidanyl-bis(oxidanylidene)chromio)oxy-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Hydroxy-(hydroxy(diketo)chromio)oxy-diketo-chromium",InChI:"1S/2Cr.2H2O.5O/h;;2*1H2;;;;;/q2*+1;;;;;;;/p-2",InChIKey:"CMMUKUYEPRGBFB-UHFFFAOYSA-L","Exact Mass":217.861062,"Molecular Formula":"Cr2H2O7","Molecular Weight":218,"Monoisotopic Mass":217.861062,Charge:0,"Easy Name":"Dichromic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"Cr2H2O7"},26126:{PUBCHEM:{CID:"26126","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Beryllium;dinitrate","IUPAC Name CAS-like Style":"Beryllium;dinitrate","IUPAC Name Markup":"Beryllium;dinitrate","IUPAC Name Preferred":"Beryllium;dinitrate","IUPAC Name Systematic":"Beryllium;dinitrate","IUPAC Name Traditional":"Beryllium;dinitrate",InChI:"1S/Be.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"RFVVBBUVWAIIBT-UHFFFAOYSA-N","Exact Mass":132.9878188,"Molecular Formula":"BeN2O6","Molecular Weight":133.02,"Monoisotopic Mass":132.9878188,Charge:0,"Easy Name":"Beryllium nitrate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White solid"},Density:{Value:"1.56 at 20 °C (solid)"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of beryllium nitrate stem from its toxicologic properties. Toxic primarily by inhalation and dermal contact, exposure to this odorless, white-to-slightly-yellow crystalline solid may occur from its use as a chemical reagent. Effects from exposure may include skin ulceration, headache, fatigue, fever, chest pain, pulmonary edema and possibly death from heart failure. The OSHA PEL and ACGIH TLV are set at a TWA of 2 ug/cu m. Engineering control of process equipment (eg, enclosure and local exhaust ventilation) should be used to prevent inhalation and skin contact with beryllium nitrate. In activities where over-exposure is possible, wear a self-contained breathing apparatus, goggles, gloves, and protective clothing. Work clothes should not be taken home for laundering. If contact should occur, immediately remove contaminated clothing, and flush affected skin or eyes with running water for at least 15 minutes. Beryllium nitrate may ignite other combustible materials. The substance itself burns rapidly, and may produce irritating and poisonous gases. Its reaction, particularly with fuels, may be violent. For small fires involving beryllium nitrate, extinguish with dry chemical, CO2, Halon, or water spray, and for large fires, use water spray or fog. Shipping regulations and other DOT regulatory requirements should be consulted before transport. Containers should be stored in a cool, dry place, protected from physical damage, and away from combustibles (wood, paper, oil, etc), acids, caustics, chlorinated hydrocarbons, and oxidizing materials. Small dry spills of beryllium nitrate may be shovelled into a clean, dry, covered container for later disposal. Large liquid spills should be diked far ahead of the spill to prevent runoff from causing pollution. Before implementing land disposal of beryllium nitrate waste, consult with environmental regulatory agencies for guidance."},"Melting Point":{Value:"60 °C; decomposes at 100-200 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Soluble in water"},Uses:{Value:"Stiffening mantles in gas and acetylene lamps"}},ReducedFormula:"Be1N2O6"},26159:{PUBCHEM:{CID:"26159","Compound Complexity":95.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfuryl chloride fluoride","IUPAC Name CAS-like Style":"Sulfuryl chloride fluoride","IUPAC Name Markup":"Sulfuryl chloride fluoride","IUPAC Name Preferred":"Sulfuryl chloride fluoride","IUPAC Name Systematic":"Sulfuryl chloride fluoride","IUPAC Name Traditional":"Sulfuryl chloride fluoride",InChI:"1S/ClFO2S/c1-5(2,3)4",InChIKey:"IXPAAHZTOUOJJM-UHFFFAOYSA-N","Log P":.9,"Exact Mass":117.9291563,"Molecular Formula":"ClFO2S","Molecular Weight":118.52,"Monoisotopic Mass":117.9291563,Charge:0,"Easy Name":"Sulfuryl chloride fluoride","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Cl1F1O2S1"},26188:{PUBCHEM:{CID:"26188","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Titanium(4+);disulfate","IUPAC Name CAS-like Style":"Titanium(4+);disulfate","IUPAC Name Markup":"Titanium(4+);disulfate","IUPAC Name Preferred":"Titanium(4+);disulfate","IUPAC Name Systematic":"Titanium(4+);disulfate","IUPAC Name Traditional":"Titanium(4+);disulfate",InChI:"1S/2H2O4S.Ti/c2*1-5(2,3)4;/h2*(H2,1,2,3,4);/q;;+4/p-4",InChIKey:"HDUMBHAAKGUHAR-UHFFFAOYSA-J","Exact Mass":239.8514,"Molecular Formula":"O8S2Ti","Molecular Weight":240,"Monoisotopic Mass":239.8514,Charge:0,"Easy Name":"Titanium (4+) disulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"GREEN POWDER"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.80-1.89."},Solubility:{Value:"INSOL IN COLD OR HOT WATER; SOL IN DIL ACID; INSOL IN ALC, ETHER, CONCN SULFURIC ACID."},Uses:{Value:"Component of flame retardant for textiles"}},ReducedFormula:"O8S2Ti1"},26218:{PUBCHEM:{CID:"26218","Compound Complexity":36.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxido(dioxo)vanadium","IUPAC Name CAS-like Style":"Oxido(dioxo)vanadium","IUPAC Name Markup":"Oxido(dioxo)vanadium","IUPAC Name Preferred":"Oxido(dioxo)vanadium","IUPAC Name Systematic":"Oxidanidyl-bis(oxidanylidene)vanadium","IUPAC Name Traditional":"Diketo(oxido)vanadium",InChI:"1S/3O.V/q;;-1;",InChIKey:"ALTWGIIQPLQAAM-UHFFFAOYSA-N","Exact Mass":98.928701,"Molecular Formula":"O3V-","Molecular Weight":98.94,"Monoisotopic Mass":98.928701,Charge:-1,"Easy Name":"Oxido (dioxo)vanadium","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1O3V1"},26248:{PUBCHEM:{CID:"26248","Compound Complexity":683,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"4,5-diacetoxy-9,10-dioxo-anthracene-2-carboxylic acid","IUPAC Name CAS-like Style":"4,5-diacetyloxy-9,10-dioxo-2-anthracenecarboxylic acid","IUPAC Name Markup":"4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid","IUPAC Name Preferred":"4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid","IUPAC Name Systematic":"4,5-diacetyloxy-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid","IUPAC Name Traditional":"4,5-diacetoxy-9,10-diketo-anthracene-2-carboxylic acid",InChI:"1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)",InChIKey:"TYNLGDBUJLVSMA-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":368.05321734,"Molecular Formula":"C19H12O8","Molecular Weight":368.3,"Monoisotopic Mass":368.05321734,Charge:0,"Easy Name":"Diacerein","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C19H12O8"},26250:{PUBCHEM:{CID:"26250","Compound Complexity":127,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;tripotassium;hexacyanide","IUPAC Name CAS-like Style":"Tripotassium;iron(3+);hexacyanide","IUPAC Name Markup":"Tripotassium;iron(3+);hexacyanide","IUPAC Name Preferred":"Tripotassium;iron(3+);hexacyanide","IUPAC Name Systematic":"Tripotassium;iron(3+);hexacyanide","IUPAC Name Traditional":"Ferric;tripotassium;hexacyanide",InChI:"1S/6CN.Fe.3K/c6*1-2;;;;/q6*-1;+3;3*+1",InChIKey:"BYGOPQKDHGXNCD-UHFFFAOYSA-N","Exact Mass":328.844499,"Molecular Formula":"C6FeK3N6","Molecular Weight":329.24,"Monoisotopic Mass":328.844499,Charge:0,"Easy Name":"Potassium ferricyanide","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C6Fe1K3N6"},26255:{PUBCHEM:{CID:"26255","Compound Complexity":19.1,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrafluoroborate","IUPAC Name CAS-like Style":"Tetrafluoroborate","IUPAC Name Markup":"Tetrafluoroborate","IUPAC Name Preferred":"Tetrafluoroborate","IUPAC Name Systematic":"Tetrafluoroborate","IUPAC Name Traditional":"Tetrafluoroborate",InChI:"1S/BF4/c2-1(3,4)5/q-1",InChIKey:"ODGCEQLVLXJUCC-UHFFFAOYSA-N","Exact Mass":87.0029178,"Molecular Formula":"BF4-","Molecular Weight":86.81,"Monoisotopic Mass":87.0029178,Charge:-1,"Easy Name":"Tetrafluoroborate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1B1F4"},26259:{PUBCHEM:{CID:"26259","Compound Complexity":235,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":3,InChI:"1S/H2O6S4/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)",InChIKey:"HPQYKCJIWQFJMS-UHFFFAOYSA-N","Log P":-.9,"Exact Mass":225.87342248,"Molecular Formula":"H2O6S4","Molecular Weight":226.3,"Monoisotopic Mass":225.87342248,Charge:0,"Easy Name":"Tetrathionic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O6S4"},26268:{PUBCHEM:{CID:"26268","Compound Complexity":24.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;hydrogen sulfite","IUPAC Name CAS-like Style":"Calcium;hydrogen sulfite","IUPAC Name Markup":"Calcium;hydrogen sulfite","IUPAC Name Preferred":"Calcium;hydrogen sulfite","IUPAC Name Systematic":"Calcium;hydrogen sulfite","IUPAC Name Traditional":"Calcium;dibisulfite",InChI:"1S/Ca.2H2O3S/c;2*1-4(2)3/h;2*(H2,1,2,3)/q+2;;/p-2",InChIKey:"LVGQIQHJMRUCRM-UHFFFAOYSA-L","Exact Mass":201.891871,"Molecular Formula":"CaH2O6S2","Molecular Weight":202.2,"Monoisotopic Mass":201.891871,Charge:0,"Easy Name":"Calcium hydrogen sulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1H2O6S2"},26304:{PUBCHEM:{CID:"26304","Compound Complexity":28.4,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/F3NO/c1-4(2,3)5",InChIKey:"UDOZVPVDQKQJAP-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":86.99319811,"Molecular Formula":"F3NO","Molecular Weight":87.001,"Monoisotopic Mass":86.99319811,Charge:0,"Easy Name":"Trifluoroazane oxide","Easy Category":"Oxohalides"},HSDB:{},ReducedFormula:"F3N1O1"},26370:{PUBCHEM:{CID:"26370","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dioxido(oxo)silane","IUPAC Name CAS-like Style":"Calcium;dioxido(oxo)silane","IUPAC Name Markup":"Calcium;dioxido(oxo)silane","IUPAC Name Preferred":"Calcium;dioxido(oxo)silane","IUPAC Name Systematic":"Calcium;bis(oxidanidyl)-oxidanylidene-silane","IUPAC Name Traditional":"Calcium;keto(dioxido)silane",InChI:"1S/Ca.O3Si/c;1-4(2)3/q+2;-2",InChIKey:"OYACROKNLOSFPA-UHFFFAOYSA-N","Exact Mass":115.9242613,"Molecular Formula":"CaO3Si","Molecular Weight":116.16,"Monoisotopic Mass":115.9242613,Charge:0,"Easy Name":"Calcium metasilicate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White to brown, red, gray, yellow solid; vitreous to pearly luster"},Density:{Value:"CaSiO3 species: 2.92"},pH:{Value:"pH: 8.9 - 10.0 aq slurry"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.616-1.640 (ALPHA), 1.628-1.650 (BETA), 1.631-1.653 (GAMMA)"},Solubility:{Value:"Practically insol in water"},Uses:{Value:"Ceramics; paint extender; welding rod coatings; rubber filler; silica gels; paper coating; filler in plastics, cements, and wallboard; mineral wool; soil conditioner"}},ReducedFormula:"Ca1O3Si1"},26375:{PUBCHEM:{CID:"26375","Compound Complexity":55.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2,3-dimethylheptane","IUPAC Name CAS-like Style":"2,3-dimethylheptane","IUPAC Name Markup":"2,3-dimethylheptane","IUPAC Name Preferred":"2,3-dimethylheptane","IUPAC Name Systematic":"2,3-dimethylheptane","IUPAC Name Traditional":"2,3-dimethylheptane",InChI:"1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3",InChIKey:"WBRFDUJXCLCKPX-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"2, 3-Dimethylheptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},26447:{PUBCHEM:{CID:"26447","Compound Complexity":149,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,5R)-2-isopropyl-5-methyl-cyclohexanone","IUPAC Name CAS-like Style":"(2S,5R)-5-methyl-2-propan-2-yl-1-cyclohexanone","IUPAC Name Markup":"(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one","IUPAC Name Preferred":"(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one","IUPAC Name Systematic":"(2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one","IUPAC Name Traditional":"(2S,5R)-2-isopropyl-5-methyl-cyclohexanone",InChI:"1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1",InChIKey:"NFLGAXVYCFJBMK-BDAKNGLRSA-N","Log P":2.7,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":"L-Menthone","Easy Category":"Terpenoid"},HSDB:{"Boiling Point":{Value:"210 °C"},"Color And Form":{Value:"Colorless, oily, mobile liq"},Odor:{Value:"Slight peppermint odor"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4480-1.4520 @ 20 °C; SPECIFIC OPTICAL ROTATION: + OR - 2 DEG /DL-FORM/"},Solubility:{Value:"Sol in alc, fixed oils; very slightly sol in water."},Taste:{Value:"Bitter"},Uses:{Value:"In perfume & flavor compositions /L-form/"}},ReducedFormula:"C10H18O1"},26473:{PUBCHEM:{CID:"26473","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Selenate","IUPAC Name CAS-like Style":"Selenate","IUPAC Name Markup":"Selenate","IUPAC Name Preferred":"Selenate","IUPAC Name Systematic":"Selenate","IUPAC Name Traditional":"Selenate",InChI:"1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",InChIKey:"QYHFIVBSNOWOCQ-UHFFFAOYSA-L","Exact Mass":143.89618,"Molecular Formula":"O4Se-2","Molecular Weight":142.97,"Monoisotopic Mass":143.89618,Charge:-2,"Easy Name":"Selenate ion","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2O4Se1"},26541:{PUBCHEM:{CID:"26541","Compound Complexity":300,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene","IUPAC Name CAS-like Style":"2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene","IUPAC Name Markup":"2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene","IUPAC Name Preferred":"2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene","IUPAC Name Systematic":"2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene","IUPAC Name Traditional":"2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene",InChI:"1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2",InChIKey:"YSSSPARMOAYJTE-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":360.15728849,"Molecular Formula":"C20H24O6","Molecular Weight":360.4,"Monoisotopic Mass":360.15728849,Charge:0,"Easy Name":"Dibenzo-18-crown-6","Easy Category":"Crown ether"},HSDB:{},ReducedFormula:"C20H24O6"},26840:{PUBCHEM:{CID:"26840","Compound Complexity":273,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":14,"IUPAC Name Allowed":"3,7,11,15-tetramethylhexadecanoic acid","IUPAC Name CAS-like Style":"3,7,11,15-tetramethylhexadecanoic acid","IUPAC Name Markup":"3,7,11,15-tetramethylhexadecanoic acid","IUPAC Name Preferred":"3,7,11,15-tetramethylhexadecanoic acid","IUPAC Name Systematic":"3,7,11,15-tetramethylhexadecanoic acid","IUPAC Name Traditional":"3,7,11,15-tetramethylpalmitic acid",InChI:"1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)",InChIKey:"RLCKHJSFHOZMDR-UHFFFAOYSA-N","Log P":8.3,"Exact Mass":312.30283053,"Molecular Formula":"C20H40O2","Molecular Weight":312.5,"Monoisotopic Mass":312.30283053,Charge:0,"Easy Name":"Phytanic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C20H40O2"},26903:{PUBCHEM:{CID:"26903","Compound Complexity":242,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"N-[2-(1H-indol-3-yl)ethyl]-N-isopropyl-propan-2-amine","IUPAC Name CAS-like Style":"N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-yl-2-propanamine","IUPAC Name Markup":"N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine","IUPAC Name Preferred":"N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine","IUPAC Name Systematic":"N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-yl-propan-2-amine","IUPAC Name Traditional":"2-(1H-indol-3-yl)ethyl-diisopropyl-amine",InChI:"1S/C16H24N2/c1-12(2)18(13(3)4)10-9-14-11-17-16-8-6-5-7-15(14)16/h5-8,11-13,17H,9-10H2,1-4H3",InChIKey:"ZRVAAGAZUWXRIP-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":244.19394878,"Molecular Formula":"C16H24N2","Molecular Weight":244.37,"Monoisotopic Mass":244.19394878,Charge:0,"Easy Name":"Diisopropyltryptamine","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C16H24N2"},26985:{PUBCHEM:{CID:"26985","Compound Complexity":208,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":1,InChI:"1S/H2O6S2/c1-7(2,3)8(4,5)6/h(H,1,2,3)(H,4,5,6)",InChIKey:"RMGVZKRVHHSUIM-UHFFFAOYSA-N","Log P":-1.8,"Exact Mass":161.92928013,"Molecular Formula":"H2O6S2","Molecular Weight":162.15,"Monoisotopic Mass":161.92928013,Charge:0,"Easy Name":"Dithionic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O6S2"},26987:{PUBCHEM:{CID:"26987","Compound Complexity":376,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine","IUPAC Name CAS-like Style":"(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine","IUPAC Name Markup":"(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine","IUPAC Name Preferred":"(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine","IUPAC Name Systematic":"(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine","IUPAC Name Traditional":"(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine",InChI:"1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1",InChIKey:"YNNUSGIPVFPVBX-NHCUHLMSSA-N","Log P":5,"Exact Mass":343.1702922,"Molecular Formula":"C21H26ClNO","Molecular Weight":343.9,"Monoisotopic Mass":343.1702922,Charge:0,"Easy Name":"Clemastine","Easy Category":"Histamine antagonist"},HSDB:{"Boiling Point":{Value:"154 °C at 0.02 mm Hg"},"Color And Form":{Value:"Colorless to faintly yellow crystalline powder"},"Melting Point":{Value:"177-178 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Very slightly soluble in water and sparingly soluble in alcohol."},Uses:{Value:"MEDICATION"}},ReducedFormula:"C21Cl1H26N1O1"},27099:{PUBCHEM:{CID:"27099","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper(2+)","IUPAC Name CAS-like Style":"Copper(2+)","IUPAC Name Markup":"Copper(2+)","IUPAC Name Preferred":"Copper(2+)","IUPAC Name Systematic":"Copper(2+)","IUPAC Name Traditional":"Copper(2+)",InChI:"1S/Cu/q+2",InChIKey:"JPVYNHNXODAKFH-UHFFFAOYSA-N","Exact Mass":62.929597,"Molecular Formula":"Cu+2","Molecular Weight":63.55,"Monoisotopic Mass":62.929597,Charge:2,"Easy Name":"Copper (2+)","Easy Category":"Cation"},HSDB:{},ReducedFormula:"+2Cu1"},27127:{PUBCHEM:{CID:"27127","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;tetrachlorogold(1-)","IUPAC Name CAS-like Style":"Sodium;tetrachlorogold(1-)","IUPAC Name Markup":"Sodium;tetrachlorogold(1-)","IUPAC Name Preferred":"Sodium;tetrachlorogold(1-)","IUPAC Name Systematic":"Sodium;tetrakis(chloranyl)gold(1-)","IUPAC Name Traditional":"Sodium;tetrachlorogold(1-)",InChI:"1S/Au.4ClH.Na/h;4*1H;/q+3;;;;;+1/p-4",InChIKey:"IXPWAPCEBHEFOV-UHFFFAOYSA-J","Exact Mass":361.8288,"Molecular 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Bond":0,"IUPAC Name Allowed":"Iodomercury","IUPAC Name CAS-like Style":"Iodomercury","IUPAC Name Markup":"Iodomercury","IUPAC Name Preferred":"Iodomercury","IUPAC Name Systematic":"Iodanylmercury","IUPAC Name Traditional":"Iodomercury",InChI:"1S/2Hg.2HI/h;;2*1H/q2*+1;;/p-2",InChIKey:"NDKKKEPYKOOXLG-UHFFFAOYSA-L","Exact Mass":655.74791,"Molecular Formula":"Hg2I2","Molecular Weight":654.99,"Monoisotopic Mass":657.75023,Charge:0,"Easy Name":"Mercury (I) iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Hg2I2"},27366:{PUBCHEM:{CID:"27366","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chlorogold","IUPAC Name CAS-like Style":"Chlorogold","IUPAC Name Markup":"Chlorogold","IUPAC Name Preferred":"Chlorogold","IUPAC Name Systematic":"Chloranylgold","IUPAC Name Traditional":"Chlorogold",InChI:"1S/Au.ClH/h;1H/q+1;/p-1",InChIKey:"FDWREHZXQUYJFJ-UHFFFAOYSA-M","Exact Mass":231.935423,"Molecular 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Mass":223.15722892,Charge:0,"Easy Name":"2, 5-Dimethoxy-4-ethylamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C13H21N1O2"},27488:{PUBCHEM:{CID:"27488","Compound Complexity":150,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-cyanoprop-2-enoic acid","IUPAC Name CAS-like Style":"2-cyano-2-propenoic acid","IUPAC Name Markup":"2-cyanoprop-2-enoic acid","IUPAC Name Preferred":"2-cyanoprop-2-enoic acid","IUPAC Name Systematic":"2-cyanoprop-2-enoic acid","IUPAC Name Traditional":"2-cyanoacrylic acid",InChI:"1S/C4H3NO2/c1-3(2-5)4(6)7/h1H2,(H,6,7)",InChIKey:"IJVRPNIWWODHHA-UHFFFAOYSA-N","Log P":.3,"Exact Mass":97.01637834,"Molecular Formula":"C4H3NO2","Molecular Weight":97.07,"Monoisotopic Mass":97.01637834,Charge:0,"Easy Name":"2-Cyanoacrylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C4H3N1O2"},27519:{PUBCHEM:{CID:"27519","Compound Complexity":62.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2-methylhept-1-ene","IUPAC Name CAS-like Style":"2-methyl-1-heptene","IUPAC Name Markup":"2-methylhept-1-ene","IUPAC Name Preferred":"2-methylhept-1-ene","IUPAC Name Systematic":"2-methylhept-1-ene","IUPAC Name Traditional":"2-methylhept-1-ene",InChI:"1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3",InChIKey:"RCBGGJURENJHKV-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"2-Methyl-1-heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},27523:{PUBCHEM:{CID:"27523","Compound Complexity":50.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"3-methylpentanal","IUPAC Name CAS-like Style":"3-methylpentanal","IUPAC Name Markup":"3-methylpentanal","IUPAC Name Preferred":"3-methylpentanal","IUPAC Name Systematic":"3-methylpentanal","IUPAC Name Traditional":"3-methylvaleraldehyde",InChI:"1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3",InChIKey:"YJWJGLQYQJGEEP-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":100.08881501,"Molecular Formula":"C6H12O","Molecular Weight":100.16,"Monoisotopic Mass":100.08881501,Charge:0,"Easy Name":"3-Methylpentanal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C6H12O1"},27535:{PUBCHEM:{CID:"27535","Compound Complexity":58.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,5-dimethylhex-3-ene","IUPAC Name CAS-like Style":"2,5-dimethyl-3-hexene","IUPAC Name Markup":"2,5-dimethylhex-3-ene","IUPAC Name Preferred":"2,5-dimethylhex-3-ene","IUPAC Name Systematic":"2,5-dimethylhex-3-ene","IUPAC Name Traditional":"2,5-dimethylhex-3-ene",InChI:"1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3",InChIKey:"KNCMKWVOMRUHKZ-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"2, 5-Dimethyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},27652:{PUBCHEM:{CID:"27652","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxostibanyloxy)stibane","IUPAC Name CAS-like Style":"Oxo(oxostibinyloxy)stibine","IUPAC Name Markup":"Oxo(oxostibanyloxy)stibane","IUPAC Name Preferred":"Oxo(oxostibanyloxy)stibane","IUPAC Name Systematic":"Oxidanylidene(oxidanylidenestibanyloxy)stibane","IUPAC Name Traditional":"Keto(ketostibinyloxy)stibine",InChI:"1S/3O.2Sb",InChIKey:"ADCOVFLJGNWWNZ-UHFFFAOYSA-N","Exact Mass":291.79277,"Molecular Formula":"O3Sb2","Molecular Weight":291.52,"Monoisotopic Mass":289.79236,Charge:0,"Easy Name":"Antimony trioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O3Sb2"},27758:{PUBCHEM:{CID:"27758","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(3+);trisulfate","IUPAC Name CAS-like Style":"Thallium(3+);trisulfate","IUPAC Name Markup":"Thallium(3+);trisulfate","IUPAC Name Preferred":"Thallium(3+);trisulfate","IUPAC Name Systematic":"Thallium(3+);trisulfate","IUPAC Name Traditional":"Thallium(3+);trisulfate",InChI:"1S/3H2O4S.2Tl/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",InChIKey:"BXBMHLIYMZRCNK-UHFFFAOYSA-H","Exact Mass":697.80404,"Molecular Formula":"O12S3Tl2","Molecular Weight":697,"Monoisotopic Mass":697.80404,Charge:0,"Easy Name":"Bithallium Trisulfate","Easy Category":"Inorganic salt"},HSDB:{Uses:{Value:"MEDICATION /FORMER USE/"}},ReducedFormula:"O12S3Tl2"},28015:{PUBCHEM:{CID:"28015","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;sulfanide","IUPAC Name CAS-like Style":"Sodium;sulfanide","IUPAC Name Markup":"Sodium;sulfanide","IUPAC Name Preferred":"Sodium;sulfanide","IUPAC Name Systematic":"Sodium;sulfanide","IUPAC Name Traditional":"Sodium;bisulfide",InChI:"1S/Na.H2S/h;1H2/q+1;/p-1",InChIKey:"HYHCSLBZRBJJCH-UHFFFAOYSA-M","Exact Mass":55.96966549,"Molecular Formula":"HNaS","Molecular Weight":56.07,"Monoisotopic Mass":55.96966549,Charge:0,"Easy Name":"Sodium hydrosulfide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Rhombohedric-cubic crystals. White to colorless."},Density:{Value:"1.79 /as per source/"},"Hazards Summary":{Value:"No data"},"Melting Point":{Value:"350 °C"},Odor:{Value:"ODOR OF HYDROGEN SULFIDE"},Solubility:{Value:"SOL IN WATER, ALCOHOL, ETHER"},Uses:{Value:"PRODN OF HEAVY WATER FOR NUCLEAR REACTORS."}},ReducedFormula:"H1Na1S1"},28020:{PUBCHEM:{CID:"28020","Compound Complexity":155,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":1,InChI:"1S/H2O5S2/c1-6(2)7(3,4)5/h(H,1,2)(H,3,4,5)",InChIKey:"WBZKQQHYRPRKNJ-UHFFFAOYSA-N","Log P":-1.4,"Exact Mass":145.93436551,"Molecular Formula":"H2O5S2","Molecular Weight":146.15,"Monoisotopic Mass":145.93436551,Charge:0,"Easy Name":"Disulfurous acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O5S2"},28028:{PUBCHEM:{CID:"28028","Compound Complexity":68,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,3,3,4-tetramethylpentane","IUPAC Name CAS-like Style":"2,3,3,4-tetramethylpentane","IUPAC Name Markup":"2,3,3,4-tetramethylpentane","IUPAC Name Preferred":"2,3,3,4-tetramethylpentane","IUPAC Name Systematic":"2,3,3,4-tetramethylpentane","IUPAC Name Traditional":"2,3,3,4-tetramethylpentane",InChI:"1S/C9H20/c1-7(2)9(5,6)8(3)4/h7-8H,1-6H3",InChIKey:"JLCYYQOQSAMWTA-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"2, 3, 3, 4-tetramethylpentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},28029:{PUBCHEM:{CID:"28029","Compound Complexity":84.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2,2,4,5-tetramethylhexane","IUPAC Name CAS-like Style":"2,2,4,5-tetramethylhexane","IUPAC Name Markup":"2,2,4,5-tetramethylhexane","IUPAC Name Preferred":"2,2,4,5-tetramethylhexane","IUPAC Name Systematic":"2,2,4,5-tetramethylhexane","IUPAC Name Traditional":"2,2,4,5-tetramethylhexane",InChI:"1S/C10H22/c1-8(2)9(3)7-10(4,5)6/h8-9H,7H2,1-6H3",InChIKey:"KDRZICOOQNIJDN-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":142.17215071,"Molecular Formula":"C10H22","Molecular Weight":142.28,"Monoisotopic Mass":142.17215071,Charge:0,"Easy Name":"2, 2, 4, 5-Tetramethylhexane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C10H22"},28112:{PUBCHEM:{CID:"28112","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;alumanuide","IUPAC Name CAS-like Style":"Lithium;alumanuide","IUPAC Name Markup":"Lithium;alumanuide","IUPAC Name Preferred":"Lithium;alumanuide","IUPAC Name Systematic":"Lithium;alumanuide","IUPAC Name Traditional":"Lithium;alumanuide",InChI:"1S/Al.Li.4H/q-1;+1;;;;",InChIKey:"OCZDCIYGECBNKL-UHFFFAOYSA-N","Exact Mass":38.028842,"Molecular Formula":"AlH4Li","Molecular Weight":38,"Monoisotopic Mass":38.028842,Charge:0,"Easy Name":"Lithium aluminium hydride","Easy Category":"Hydride"},HSDB:{"Color And Form":{Value:"Microcrystalline powder when pure; gray when aluminum impurity present. Monoclinic crystals."},Density:{Value:"0.92"},"Melting Point":{Value:"Decomposes >125 °C"},Odor:{Value:"None"},Solubility:{Value:"Solubility (parts/100 parts solvent): 30 (ether); 13 (tetrahydrofuran); 10 (dimethylcellosolve); 2 (dibutyl ether); 0.1 (dioxane)."},Uses:{Value:"In preparation of other hydrides"}},ReducedFormula:"Al1H4Li1"},28118:{PUBCHEM:{CID:"28118","Compound Complexity":19.1,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydron;tetrafluoroborate","IUPAC Name CAS-like Style":"Hydron;tetrafluoroborate","IUPAC Name Markup":"Hydron;tetrafluoroborate","IUPAC Name Preferred":"Hydron;tetrafluoroborate","IUPAC Name Systematic":"Hydron;tetrafluoroborate","IUPAC Name Traditional":"Hydron;tetrafluoroborate",InChI:"1S/BF4/c2-1(3,4)5/q-1/p+1",InChIKey:"ODGCEQLVLXJUCC-UHFFFAOYSA-O","Exact Mass":88.0107428,"Molecular Formula":"BF4H","Molecular Weight":87.82,"Monoisotopic Mass":88.0107428,Charge:0,"Easy Name":"Fluoroboric acid","Easy Category":"Inorganic acids"},HSDB:{"Boiling Point":{Value:"130 °C decomposes"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"Approximately 1.8 g/cu cm"},"NFPA Hazard Classification":{Value:"3-0-0"},"Refractive Index":{Value:"Refractive index of a 20% aqueous solution: 1.3284 at 20 °C/D"},Solubility:{Value:"Very soluble in water, ethanol"},Uses:{Value:"As catalyst for preparing acetals, esterifying cellulose; to clean metal surfaces before welding; to brighten aluminum; as solute in electrolytes for plating metals such as chromium, iron, nickel, copper, silver, zinc, cadmium, indium, tin, and lead (has high throwing power). Reagent for sodium in the presence of magnesium and potassium ions; for making stabilized diazo salts (diazonium and tetrazonium fluoborates). An 0.1-0.5% solution retards fermentation."}},ReducedFormula:"B1F4H1"},28127:{PUBCHEM:{CID:"28127","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;hexafluorosilicon(2-)","IUPAC Name CAS-like Style":"Disodium;hexafluorosilicon(2-)","IUPAC Name Markup":"Disodium;hexafluorosilicon(2-)","IUPAC Name Preferred":"Disodium;hexafluorosilicon(2-)","IUPAC Name Systematic":"Disodium;hexakis(fluoranyl)silicon(2-)","IUPAC Name Traditional":"Disodium;hexafluorosilicon(2-)",InChI:"1S/F6Si.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",InChIKey:"TWGUZEUZLCYTCG-UHFFFAOYSA-N","Exact Mass":187.94688408,"Molecular Formula":"F6Na2Si","Molecular Weight":188.055,"Monoisotopic Mass":187.94688408,Charge:0,"Easy Name":"Sodium fluorosilicate","Easy Category":"Coordination compounds"},HSDB:{"Color And Form":{Value:"WHITE GRANULAR POWDER"},Density:{Value:"2.7 g/cu cm."},"Melting Point":{Value:"Melts at red heat with decomposition."},Odor:{Value:"Odorless"},pH:{Value:"SOLN IN COLD WATER IS NEUTRAL"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.312, 1.309"},Solubility:{Value:"SOL IN 150 PARTS COLD, 40 PARTS BOILING WATER; INSOL IN ALCOHOL"},Taste:{Value:"Tasteless."},Uses:{Value:"IN ENAMELS FOR CHINA & PORCELAIN; MFR OPAL GLASS; INSECT EXTERMINATOR & POISON FOR RODENTS; MOTHPROOFING OF WOOLENS; VET: PEDICULICIDE"}},ReducedFormula:"F6Na2Si1"},28133:{PUBCHEM:{CID:"28133","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydron;tetrachlorogold(1-)","IUPAC Name CAS-like Style":"Hydron;tetrachlorogold(1-)","IUPAC Name Markup":"Hydron;tetrachlorogold(1-)","IUPAC Name Preferred":"Hydron;tetrachlorogold(1-)","IUPAC Name Systematic":"Hydron;tetrakis(chloranyl)gold(1-)","IUPAC Name Traditional":"Hydron;tetrachlorogold(1-)",InChI:"1S/Au.4ClH/h;4*1H/q+3;;;;/p-3",InChIKey:"VDLSFRRYNGEBEJ-UHFFFAOYSA-K","Exact Mass":339.846856,"Molecular Formula":"AuCl4H","Molecular Weight":339.8,"Monoisotopic Mass":337.849806,Charge:0,"Easy Name":"Chloroauric acid","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1Cl4H1"},28153:{PUBCHEM:{CID:"28153","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexachloroiridium(2-);hydron","IUPAC Name CAS-like Style":"Hexachloroiridium(2-);hydron","IUPAC Name Markup":"Hexachloroiridium(2-);hydron","IUPAC Name Preferred":"Hexachloroiridium(2-);hydron","IUPAC Name Systematic":"Hexakis(chloranyl)iridium(2-);hydron","IUPAC Name Traditional":"Hexachloroiridium(2-);hydron",InChI:"1S/6ClH.Ir/h6*1H;/q;;;;;;+4/p-4",InChIKey:"PVMMMVHZRGMXED-UHFFFAOYSA-J","Exact Mass":406.78874,"Molecular Formula":"Cl6H2Ir","Molecular Weight":406.9,"Monoisotopic Mass":404.79169,Charge:0,"Easy Name":"Dihydrogen hexachloroiridate (2-)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6H2Ir1"},28202:{PUBCHEM:{CID:"28202","Compound Complexity":4,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;peroxide","IUPAC Name CAS-like Style":"Dipotassium;peroxide","IUPAC Name Markup":"Dipotassium;peroxide","IUPAC Name Preferred":"Dipotassium;peroxide","IUPAC Name Systematic":"Dipotassium;peroxide","IUPAC Name Traditional":"Dipotassium;peroxide",InChI:"1S/2K.O2/c;;1-2/q2*+1;-2",InChIKey:"XXQBEVHPUKOQEO-UHFFFAOYSA-N","Exact Mass":109.91724221,"Molecular Formula":"K2O2","Molecular Weight":110.195,"Monoisotopic Mass":109.91724221,Charge:0,"Easy Name":"Potassium peroxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"Yellow amorphous solid"},Density:{Value:"greater than 1 at 20 °C"},"Melting Point":{Value:"490 °C"},"NFPA Hazard Classification":{Value:"3-0-2"},Solubility:{Value:"Reacts with water"},Uses:{Value:"IN REGENERATIVE OXYGEN BREATHING APPARATUS"}},ReducedFormula:"K2O2"},28387:{PUBCHEM:{CID:"28387","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dihydroxide","IUPAC Name CAS-like Style":"Barium(2+);dihydroxide","IUPAC Name Markup":"Barium(2+);dihydroxide","IUPAC Name Preferred":"Barium(2+);dihydroxide","IUPAC Name Systematic":"Barium(2+);dihydroxide","IUPAC Name Traditional":"Barium(2+);dihydroxide",InChI:"1S/Ba.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"RQPZNWPYLFFXCP-UHFFFAOYSA-L","Exact Mass":171.910727,"Molecular Formula":"BaH2O2","Molecular Weight":171.34,"Monoisotopic Mass":171.910727,Charge:0,"Easy Name":"Barium hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Ba1H2O2"},28557:{PUBCHEM:{CID:"28557","Compound Complexity":108,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4,7,10,13,16-hexaoxacyclooctadecane","IUPAC Name CAS-like Style":"1,4,7,10,13,16-hexaoxacyclooctadecane","IUPAC Name Markup":"1,4,7,10,13,16-hexaoxacyclooctadecane","IUPAC Name Preferred":"1,4,7,10,13,16-hexaoxacyclooctadecane","IUPAC Name Systematic":"1,4,7,10,13,16-hexaoxacyclooctadecane","IUPAC Name Traditional":"18-crown-6",InChI:"1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2",InChIKey:"XEZNGIUYQVAUSS-UHFFFAOYSA-N","Log P":-.7,"Exact Mass":264.15728849,"Molecular Formula":"C12H24O6","Molecular Weight":264.31,"Monoisotopic Mass":264.15728849,Charge:0,"Easy Name":"18-crown-6","Easy Category":"Crown ether"},HSDB:{},ReducedFormula:"C12H24O6"},28780:{PUBCHEM:{CID:"28780","Compound Complexity":377,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"Methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate","IUPAC Name CAS-like Style":"N-[1-[butylamino(oxo)methyl]-2-benzimidazolyl]carbamic acid methyl ester","IUPAC Name Markup":"Methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate","IUPAC Name Preferred":"Methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate","IUPAC Name Systematic":"Methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate","IUPAC Name Traditional":"N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamic acid methyl ester",InChI:"1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)",InChIKey:"RIOXQFHNBCKOKP-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":290.13789046,"Molecular Formula":"C14H18N4O3","Molecular Weight":290.32,"Monoisotopic Mass":290.13789046,Charge:0,"Easy Name":"Benomyl","Easy Category":"Fungicide"},HSDB:{"Color And Form":{Value:"White crystalline solid [Note: Decomposes without melting above 572 degrees F]."},"Melting Point":{Value:"140 °C (decomposes)"},Odor:{Value:"Faint, acrid odor."},Solubility:{Value:"Solubility (25 °C): 18 g/kg acetone; 94 g/kg chloroform; 53 g/kg dimethylformamide; 4 g/kg ethanol; 0.4 g/kg heptane; 10 g/kg xylene."},Uses:{Value:"For Benomyl (USEPA/OPP Pesticide Code: 099101) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"3.7X10-9 mm Hg @ 25 °C"}},ReducedFormula:"C14H18N4O3"},29011:{PUBCHEM:{CID:"29011","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxotin","IUPAC Name CAS-like Style":"Dioxotin","IUPAC Name Markup":"Dioxotin","IUPAC Name Preferred":"Dioxotin","IUPAC Name Systematic":"Bis(oxidanylidene)tin","IUPAC Name Traditional":"Diketotin",InChI:"1S/2O.Sn",InChIKey:"XOLBLPGZBRYERU-UHFFFAOYSA-N","Exact Mass":151.892031,"Molecular Formula":"O2Sn","Molecular Weight":150.71,"Monoisotopic Mass":151.892031,Charge:0,"Easy Name":"Tin dioxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"White, tetrahedral crystals"},Density:{Value:"6.95 g/cu cm"},"Melting Point":{Value:"1630 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.997, 2.093"},Solubility:{Value:"Insol in water"},Uses:{Value:"Polishing glass and metals, Manufacture of milk-colored, ruby and alabaster glass, enamels, pottery, putty; mordant in printing and dyeing fabrics; in fingernail polishes"}},ReducedFormula:"O2Sn1"},29090:{PUBCHEM:{CID:"29090","Compound Complexity":962,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Disodium;2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxo-xanthen-9-yl)benzoate","IUPAC Name CAS-like Style":"Disodium;2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxo-9-xanthenyl)benzoate","IUPAC Name Markup":"Disodium;2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxoxanthen-9-yl)benzoate","IUPAC Name Preferred":"Disodium;2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxoxanthen-9-yl)benzoate","IUPAC Name Systematic":"Disodium;2-[4,5-bis(bromanyl)-2,7-dinitro-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate","IUPAC Name Traditional":"Disodium;2-(4,5-dibromo-3-keto-2,7-dinitro-6-oxido-xanthen-9-yl)benzoate",InChI:"1S/C20H8Br2N2O9.2Na/c21-14-16(25)11(23(29)30)5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(24(31)32)17(26)15(22)19(10)33-18(9)14;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",InChIKey:"GYYTYUGGVBYJHE-UHFFFAOYSA-L","Exact Mass":623.82149,"Molecular Formula":"C20H6Br2N2Na2O9","Molecular Weight":624.1,"Monoisotopic Mass":621.82354,Charge:0,"Easy Name":"Eosin B","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C20H6N2Na2O9"},29108:{PUBCHEM:{CID:"29108","Compound Complexity":44.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,1,2,3-tetrachloropropane","IUPAC Name CAS-like Style":"1,1,2,3-tetrachloropropane","IUPAC Name Markup":"1,1,2,3-tetrachloropropane","IUPAC Name Preferred":"1,1,2,3-tetrachloropropane","IUPAC Name Systematic":"1,1,2,3-tetrakis(chloranyl)propane","IUPAC Name Traditional":"1,1,2,3-tetrachloropropane",InChI:"1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2",InChIKey:"BUQMVYQMVLAYRU-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":181.903761,"Molecular Formula":"C3H4Cl4","Molecular Weight":181.9,"Monoisotopic Mass":179.906711,Charge:0,"Easy Name":"1, 1, 2, 3-Tetrachloropropane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3Cl4H4"},29109:{PUBCHEM:{CID:"29109","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfide","IUPAC Name CAS-like Style":"Sulfide","IUPAC Name Markup":"Sulfide","IUPAC Name Preferred":"Sulfide","IUPAC Name Systematic":"Sulfide","IUPAC Name Traditional":"Sulfide",InChI:"1S/S/q-2",InChIKey:"UCKMPCXJQFINFW-UHFFFAOYSA-N","Log P":.5,"Exact Mass":31.97207117,"Molecular Formula":"S-2","Molecular Weight":32.07,"Monoisotopic Mass":31.97207117,Charge:-2,"Easy Name":"Sulfide","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2S1"},29231:{PUBCHEM:{CID:"29231","Compound Complexity":883,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":10,"Rotatable Bond":6,"IUPAC Name Allowed":"(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol;chloride","IUPAC Name CAS-like Style":"(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-methyloxane-3,4,5-triol;chloride","IUPAC Name Markup":"(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloride","IUPAC Name Preferred":"(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloride","IUPAC Name Systematic":"(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromenylium-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-methyl-oxane-3,4,5-triol;chloride","IUPAC Name Traditional":"(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol;chloride",InChI:"1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1",InChIKey:"ADZHXBNWNZIHIX-XYGAWYNKSA-N","Exact Mass":630.135148,"Molecular Formula":"C27H31ClO15","Molecular Weight":631,"Monoisotopic Mass":630.135148,Charge:0,"Easy Name":"Antirrhinin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"C27Cl1H31O15"},29320:{PUBCHEM:{CID:"29320","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxomolybdenum","IUPAC Name CAS-like Style":"Dioxomolybdenum","IUPAC Name Markup":"Dioxomolybdenum","IUPAC Name Preferred":"Dioxomolybdenum","IUPAC Name Systematic":"Bis(oxidanylidene)molybdenum","IUPAC Name Traditional":"Diketomolybdenum",InChI:"1S/Mo.2O",InChIKey:"QXYJCZRRLLQGCR-UHFFFAOYSA-N","Exact Mass":129.895233,"Molecular Formula":"MoO2","Molecular Weight":127.9,"Monoisotopic Mass":129.895233,Charge:0,"Easy Name":"Molybdenum (IV) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Mo1O2"},29571:{PUBCHEM:{CID:"29571","Compound Complexity":37.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,2-dibromopentane","IUPAC Name CAS-like Style":"1,2-dibromopentane","IUPAC Name Markup":"1,2-dibromopentane","IUPAC Name Preferred":"1,2-dibromopentane","IUPAC Name Systematic":"1,2-bis(bromanyl)pentane","IUPAC Name Traditional":"1,2-dibromopentane",InChI:"1S/C5H10Br2/c1-2-3-5(7)4-6/h5H,2-4H2,1H3",InChIKey:"CITMYAPULDSOHG-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":229.91288,"Molecular Formula":"C5H10Br2","Molecular Weight":229.94,"Monoisotopic Mass":227.91493,Charge:0,"Easy Name":"1, 2-Dibromopentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"Br2C5H10"},30020:{PUBCHEM:{CID:"30020","Compound Complexity":88.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-ethylpentanoic acid","IUPAC Name CAS-like Style":"2-ethylpentanoic acid","IUPAC Name Markup":"2-ethylpentanoic acid","IUPAC Name Preferred":"2-ethylpentanoic acid","IUPAC Name Systematic":"2-ethylpentanoic acid","IUPAC Name Traditional":"2-ethylvaleric acid",InChI:"1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",InChIKey:"BAZMYXGARXYAEQ-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":130.09937969,"Molecular Formula":"C7H14O2","Molecular Weight":130.18,"Monoisotopic Mass":130.09937969,Charge:0,"Easy Name":"2-ethylpentanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H14O2"},30143:{PUBCHEM:{CID:"30143","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ethanolate;thallium(1+)","IUPAC Name CAS-like Style":"Ethanolate;thallium(1+)","IUPAC Name Markup":"Ethanolate;thallium(1+)","IUPAC Name Preferred":"Ethanolate;thallium(1+)","IUPAC Name Systematic":"Ethanolate;thallium(1+)","IUPAC Name Traditional":"Ethanolate;thallium(1+)",InChI:"1S/C2H5O.Tl/c1-2-3;/h2H2,1H3;/q-1;+1",InChIKey:"DZFYOYRNBGNPJW-UHFFFAOYSA-N","Exact Mass":250.00847,"Molecular Formula":"C2H5OTl","Molecular Weight":249.44,"Monoisotopic Mass":250.00847,Charge:0,"Easy Name":"Thallium (I) ethanolate","Easy Category":"Alkoxide"},HSDB:{},ReducedFormula:"C2H5O1Tl1"},30185:{PUBCHEM:{CID:"30185","Compound Complexity":1590,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":9,"Rotatable Bond":8,"IUPAC Name Allowed":"(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol","IUPAC Name Markup":"(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol","IUPAC Name Traditional":"(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-methylol-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol",InChI:"1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1",InChIKey:"ZGVSETXHNHBTRK-OTYSSXIJSA-N","Log P":1.8,"Exact Mass":867.49802065,"Molecular Formula":"C45H73NO15","Molecular Weight":868.1,"Monoisotopic Mass":867.49802065,Charge:0,"Easy Name":"Α-Solanine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"SLENDER NEEDLES FROM 85% ALC"},Solubility:{Value:"READILY SOL IN HOT ALC, PRACTICALLY INSOL IN WATER (25 MG/L @ PH 6.0), ETHER, CHLOROFORM"},Uses:{Value:"HAS BEEN USED AS AN AGRICULTURAL INSECTICIDE /SOLANINE HYDROCHLORIDE/"}},ReducedFormula:"C45H73N1O15"},30318:{PUBCHEM:{CID:"30318","Compound Complexity":138,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetraoxoosmium","IUPAC Name CAS-like Style":"Tetraoxoosmium","IUPAC Name Markup":"Tetraoxoosmium","IUPAC Name Preferred":"Tetraoxoosmium","IUPAC Name Systematic":"Tetrakis(oxidanylidene)osmium","IUPAC Name Traditional":"Tetraketoosmium",InChI:"1S/4O.Os",InChIKey:"VUVGYHUDAICLFK-UHFFFAOYSA-N","Exact Mass":255.94114,"Molecular Formula":"O4Os","Molecular Weight":254.2,"Monoisotopic Mass":255.94114,Charge:0,"Easy Name":"Osmium tetroxide","Easy Category":"Dye"},HSDB:{"Boiling Point":{Value:"130.0 °C at 760 mm Hg; begins to sublime and distill well below bp"},"Color And Form":{Value:"Pale yellow solid; monoclinic crystals"},"Critical Temperature And Pressure":{Value:"Critical temperature: 405 °C; critical pressure: 170 atm"},Density:{Value:"5.10 (Calculated)"},"Melting Point":{Value:"40.6 °C"},Odor:{Value:"Acrid, chlorine-like odor"},Solubility:{Value:"Sol in benzene, alcohol, ether, ammonium hydroxide, and phosphorus oxychloride; solubility in carbon tetrachloride @ 25 deg: 375 g/100 g"},Uses:{Value:"Chief /laboratory/ use of osmium tetroxide is as a biological stain for adipose tissues in histopathological laboratories"},"Vapor Pressure":{Value:"11 mm Hg at 27 °C"}},ReducedFormula:"O4Os1"},30332:{PUBCHEM:{CID:"30332","Compound Complexity":10,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Alumanylidynephosphane","IUPAC Name CAS-like Style":"Alumanylidynephosphine","IUPAC Name Markup":"Alumanylidynephosphane","IUPAC Name Preferred":"Alumanylidynephosphane","IUPAC Name Systematic":"Alumanylidynephosphane","IUPAC Name Traditional":"Alumanylidynephosphine",InChI:"1S/Al.P",InChIKey:"PPNXXZIBFHTHDM-UHFFFAOYSA-N","Exact Mass":57.9553004,"Molecular Formula":"AlP","Molecular Weight":57.9553,"Monoisotopic Mass":57.9553004,Charge:0,"Easy Name":"Aluminium phosphide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Dark gray or dark yellow crystals. Cubic zinc blende structure."},Density:{Value:"2.40 g/cu cm at 25 °C"},"Melting Point":{Value:"2,550 °C"},Odor:{Value:"Garlic odor"},Solubility:{Value:"Reacts with water"},Uses:{Value:"For aluminum phosphide (USEPA/OPP Pesticide Code: 66501) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"Very low, even at 1000 °C"}},ReducedFormula:"Al1P1"},30479:{PUBCHEM:{CID:"30479","Compound Complexity":316,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one","IUPAC Name CAS-like Style":"4-amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one","IUPAC Name Markup":"4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one","IUPAC Name Preferred":"4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one","IUPAC Name Systematic":"4-azanyl-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one","IUPAC Name Traditional":"4-amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one",InChI:"1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3",InChIKey:"FOXFZRUHNHCZPX-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":214.08883226,"Molecular Formula":"C8H14N4OS","Molecular Weight":214.29,"Monoisotopic Mass":214.08883226,Charge:0,"Easy Name":"Metribuzin","Easy Category":"Herbicide"},HSDB:{"Boiling Point":{Value:"132 °C @ 2 Pa"},"Color And Form":{Value:"Colorless crytals"},Density:{Value:"1.28 @ 20 °C/4 °C"},"Melting Point":{Value:"126.2 °C"},Odor:{Value:"Weak characteristic odor"},Solubility:{Value:"Sol in methanol and ethanol; very slightly soluble in water (1200 ppm)."},Uses:{Value:"For Metribuzin (USEPA/OPP Pesticide Code: 101101) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"4.35X10-7 mm Hg @ 20 °C"}},ReducedFormula:"C8H14N4O1S1"},30508:{PUBCHEM:{CID:"30508","Compound Complexity":1820,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":12,"Rotatable Bond":6,"IUPAC Name Allowed":"2-[8,22-dihydroxy-13-(2-hydroxy-1-methyl-propyl)-2,5,11,14,27,30,33,36,39-nonaoxo-34-sec-butyl-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid","IUPAC Name CAS-like Style":"2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid","IUPAC Name Markup":"2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid","IUPAC Name Preferred":"2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid","IUPAC Name Systematic":"2-[34-butan-2-yl-8,22-bis(oxidanyl)-13-(3-oxidanylbutan-2-yl)-2,5,11,14,27,30,33,36,39-nonakis(oxidanylidene)-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]ethanoic acid","IUPAC Name Traditional":"2-[8,22-dihydroxy-13-(2-hydroxy-1-methyl-propyl)-2,5,11,14,27,30,33,36,39-nonaketo-34-sec-butyl-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid",InChI:"1S/C39H53N9O14S/c1-5-16(2)31-36(59)41-12-28(52)42-26-15-63(62)38-22(21-7-6-19(50)8-23(21)45-38)10-24(33(56)40-13-29(53)46-31)43-37(60)32(17(3)18(4)49)47-35(58)27-9-20(51)14-48(27)39(61)25(11-30(54)55)44-34(26)57/h6-8,16-18,20,24-27,31-32,45,49-51H,5,9-15H2,1-4H3,(H,40,56)(H,41,59)(H,42,52)(H,43,60)(H,44,57)(H,46,53)(H,47,58)(H,54,55)",InChIKey:"OFILNAORONITPV-UHFFFAOYSA-N","Log P":-2.7,"Exact Mass":903.3432686,"Molecular Formula":"C39H53N9O14S","Molecular Weight":904,"Monoisotopic Mass":903.3432686,Charge:0,"Easy Name":"Epsilon-Amanitin","Easy Category":"Peptide"},HSDB:{},ReducedFormula:"C39H53N9O14S1"},30856:{PUBCHEM:{CID:"30856","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxomercury","IUPAC Name CAS-like Style":"Oxomercury","IUPAC Name Markup":"Oxomercury","IUPAC Name Preferred":"Oxomercury","IUPAC Name Systematic":"Oxidanylidenemercury","IUPAC Name Traditional":"Ketomercury",InChI:"1S/Hg.O",InChIKey:"UKWHYYKOEPRTIC-UHFFFAOYSA-N","Exact Mass":217.965558,"Molecular Formula":"HgO","Molecular Weight":216.59,"Monoisotopic Mass":217.965558,Charge:0,"Easy Name":"Mercury (II) oxide","Easy Category":"Oxide"},HSDB:{"Color And Form":{Value:"Yellow mercuric oxide: yellow or orange-yellow, heavy, powder, orthorhombic structure"},Density:{Value:"11.00-11.29 (Red); 11.03 @ 27.5 °C (Yellow)"},"Melting Point":{Value:"500 °C (decomp)"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"INDEX OF REFRACTION: 2.37, 2.5, 2.65"},Solubility:{Value:"0.0053 G/100 CC WATER @ 25 °C"},Uses:{Value:"For Mercuric Oxide (USEPA/OPP PC Code: 052102) there are 0 labels match. /SRP: Not registered for current use in the U.S./"}},ReducedFormula:"Hg1O1"},31013:{PUBCHEM:{CID:"31013","Compound Complexity":201,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"1-(2,3,6-trimethoxyphenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(2,3,6-trimethoxyphenyl)-2-propanamine","IUPAC Name Markup":"1-(2,3,6-trimethoxyphenyl)propan-2-amine","IUPAC Name Preferred":"1-(2,3,6-trimethoxyphenyl)propan-2-amine","IUPAC Name Systematic":"1-(2,3,6-trimethoxyphenyl)propan-2-amine","IUPAC Name Traditional":"[1-methyl-2-(2,3,6-trimethoxyphenyl)ethyl]amine",InChI:"1S/C12H19NO3/c1-8(13)7-9-10(14-2)5-6-11(15-3)12(9)16-4/h5-6,8H,7,13H2,1-4H3",InChIKey:"OASZJWLOOFXASO-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":225.13649348,"Molecular Formula":"C12H19NO3","Molecular Weight":225.28,"Monoisotopic Mass":225.13649348,Charge:0,"Easy Name":"2, 3, 6-trimethoxyamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12H19N1O3"},31014:{PUBCHEM:{CID:"31014","Compound Complexity":201,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"1-(2,4,5-trimethoxyphenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(2,4,5-trimethoxyphenyl)-2-propanamine","IUPAC Name Markup":"1-(2,4,5-trimethoxyphenyl)propan-2-amine","IUPAC Name Preferred":"1-(2,4,5-trimethoxyphenyl)propan-2-amine","IUPAC Name Systematic":"1-(2,4,5-trimethoxyphenyl)propan-2-amine","IUPAC Name Traditional":"(2-asaryl-1-methyl-ethyl)amine",InChI:"1S/C12H19NO3/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-8H,5,13H2,1-4H3",InChIKey:"TVSIMAWGATVNGK-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":225.13649348,"Molecular Formula":"C12H19NO3","Molecular Weight":225.28,"Monoisotopic Mass":225.13649348,Charge:0,"Easy Name":"2, 4, 5-trimethoxyamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12H19N1O3"},31015:{PUBCHEM:{CID:"31015","Compound Complexity":187,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"1-(2,4,6-trimethoxyphenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(2,4,6-trimethoxyphenyl)-2-propanamine","IUPAC Name Markup":"1-(2,4,6-trimethoxyphenyl)propan-2-amine","IUPAC Name Preferred":"1-(2,4,6-trimethoxyphenyl)propan-2-amine","IUPAC Name Systematic":"1-(2,4,6-trimethoxyphenyl)propan-2-amine","IUPAC Name Traditional":"[1-methyl-2-(2,4,6-trimethoxyphenyl)ethyl]amine",InChI:"1S/C12H19NO3/c1-8(13)5-10-11(15-3)6-9(14-2)7-12(10)16-4/h6-8H,5,13H2,1-4H3",InChIKey:"DDGNOUVDFKXADP-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":225.13649348,"Molecular Formula":"C12H19NO3","Molecular Weight":225.28,"Monoisotopic Mass":225.13649348,Charge:0,"Easy Name":"2, 4, 6-trimethoxyamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12H19N1O3"},31016:{PUBCHEM:{CID:"31016","Compound Complexity":187,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"1-(3,4,5-trimethoxyphenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(3,4,5-trimethoxyphenyl)-2-propanamine","IUPAC Name Markup":"1-(3,4,5-trimethoxyphenyl)propan-2-amine","IUPAC Name Preferred":"1-(3,4,5-trimethoxyphenyl)propan-2-amine","IUPAC Name Systematic":"1-(3,4,5-trimethoxyphenyl)propan-2-amine","IUPAC Name Traditional":"[1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl]amine",InChI:"1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3",InChIKey:"WGTASENVNYJZBK-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":225.13649348,"Molecular Formula":"C12H19NO3","Molecular Weight":225.28,"Monoisotopic Mass":225.13649348,Charge:0,"Easy Name":"3, 4, 5-trimethoxyamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12H19N1O3"},31101:{PUBCHEM:{CID:"31101","Compound Complexity":1230,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-isobutyl-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name CAS-like Style":"(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Markup":"(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Preferred":"(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Systematic":"(6aR,9R)-5-bromanyl-7-methyl-N-[(1S,2S,4R,7S)-7-(2-methylpropyl)-2-oxidanyl-5,8-bis(oxidanylidene)-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Traditional":"(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-isobutyl-4-isopropyl-5,8-diketo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",InChI:"1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1",InChIKey:"OZVBMTJYIDMWIL-AYFBDAFISA-N","Log P":3.8,"Exact Mass":653.22128,"Molecular Formula":"C32H40BrN5O5","Molecular Weight":654.6,"Monoisotopic Mass":653.22128,Charge:0,"Easy Name":"Bromocriptine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"Br1C32H40N5O5"},31181:{PUBCHEM:{CID:"31181","Compound Complexity":1050,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":4,"Rotatable Bond":8,"IUPAC Name Allowed":"3,13-dihydroxy-2-(1-hydroxyheptyl)-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione","IUPAC Name CAS-like Style":"3,13-dihydroxy-2-(1-hydroxyheptyl)-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione","IUPAC Name Markup":"3,13-dihydroxy-2-(1-hydroxyheptyl)-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione","IUPAC Name Preferred":"3,13-dihydroxy-2-(1-hydroxyheptyl)-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione","IUPAC Name Systematic":"3,13-bis(oxidanyl)-2-(1-oxidanylheptyl)-10-[oxidanyl-(6-oxidanylidene-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione","IUPAC Name Traditional":"3,13-dihydroxy-2-(1-hydroxyheptyl)-10-[hydroxy-(6-keto-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione",InChI:"1S/C26H32O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-23,27,29-31H,2-5,7-8,10-11H2,1H3",InChIKey:"XOEFANNJIKAWGX-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":520.19446185,"Molecular Formula":"C26H32O11","Molecular Weight":520.5,"Monoisotopic Mass":520.19446185,Charge:0,"Easy Name":"Rubratoxin A","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C26H32O11"},31192:{PUBCHEM:{CID:"31192","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lawrencium","IUPAC Name CAS-like Style":"Lawrencium","IUPAC Name Markup":"Lawrencium","IUPAC Name Preferred":"Lawrencium","IUPAC Name Systematic":"Lawrencium","IUPAC Name Traditional":"Lawrencium",InChI:"1S/Lr",InChIKey:"CNQCVBJFEGMYDW-UHFFFAOYSA-N","Exact Mass":262.11,"Molecular Formula":"Lr","Molecular Weight":262.11,"Monoisotopic Mass":262.11,Charge:0,"Easy Name":"Lawrencium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Lr1"},31234:{PUBCHEM:{CID:"31234","Compound Complexity":74.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"3-phenylpropan-1-ol","IUPAC Name CAS-like Style":"3-phenyl-1-propanol","IUPAC Name Markup":"3-phenylpropan-1-ol","IUPAC Name Preferred":"3-phenylpropan-1-ol","IUPAC Name Systematic":"3-phenylpropan-1-ol","IUPAC Name Traditional":"3-phenylpropan-1-ol",InChI:"1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2",InChIKey:"VAJVDSVGBWFCLW-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":136.08881501,"Molecular Formula":"C9H12O","Molecular Weight":136.19,"Monoisotopic Mass":136.08881501,Charge:0,"Easy Name":"3-Phenylpropan-1-ol","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"241 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical Temperature: 732 deg K; Critical Pressure: 3.4 MPa"},Density:{Value:"0.995 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"Enthalpy of vaporization: 62.6-62.8 kJ/mol"},"Melting Point":{Value:"<-18 °C"},"NFPA Hazard Classification":{Value:"1-1-1"},Odor:{Value:"Floral odor"},"Refractive Index":{Value:"Index of refraction: 1.5357 at 25 °C"},Solubility:{Value:"In water, 5,680 mg/L at 25 °C"},Taste:{Value:"Sweet and pungent taste suggestive of apricot"},"Vapor Pressure":{Value:"0.0234 mm Hg at 25 °C (extrapolated from higher temperatures)"}},ReducedFormula:"C9H12O1"},31245:{PUBCHEM:{CID:"31245","Compound Complexity":50.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2-methylpentanal","IUPAC Name CAS-like Style":"2-methylpentanal","IUPAC Name Markup":"2-methylpentanal","IUPAC Name Preferred":"2-methylpentanal","IUPAC Name Systematic":"2-methylpentanal","IUPAC Name Traditional":"2-methylvaleraldehyde",InChI:"1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3",InChIKey:"FTZILAQGHINQQR-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":100.08881501,"Molecular Formula":"C6H12O","Molecular Weight":100.16,"Monoisotopic Mass":100.08881501,Charge:0,"Easy Name":"2-Methylpentanal","Easy Category":"Aldehyde"},HSDB:{"Boiling Point":{Value:"117 °C"},"Color And Form":{Value:"COLORLESS LIQUID"},Density:{Value:"0.8092"},"Melting Point":{Value:"FP: -100 °C"},"NFPA Hazard Classification":{Value:"2-3-1"},Odor:{Value:"REMINISCENT OF HAM & CHEESE"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4120 @ 20 °C"},Solubility:{Value:"Sol in water, ether, acetone, slightly sol in carbon tetrachloride."},Taste:{Value:"WOODY, OILY HAM TASTE"},Uses:{Value:"FLAVORING INGREDIENT"},Viscosity:{Value:"0.56 mPa.s @ 20 °C"}},ReducedFormula:"C6H12O1"},31246:{PUBCHEM:{CID:"31246","Compound Complexity":58.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Heptan-4-one","IUPAC Name CAS-like Style":"4-heptanone","IUPAC Name Markup":"Heptan-4-one","IUPAC Name Preferred":"Heptan-4-one","IUPAC Name Systematic":"Heptan-4-one","IUPAC Name Traditional":"Heptan-4-one",InChI:"1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3",InChIKey:"HCFAJYNVAYBARA-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":114.10446507,"Molecular Formula":"C7H14O","Molecular Weight":114.19,"Monoisotopic Mass":114.10446507,Charge:0,"Easy Name":"4-Heptanone","Easy Category":"Ketone"},HSDB:{"Boiling Point":{Value:"144 °C"},"Color And Form":{Value:"Stable, colorless liquid"},Density:{Value:"0.8174 g/cu cm at 20 °C"},"Melting Point":{Value:"-33 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},Odor:{Value:"Pleasant odor"},"Refractive Index":{Value:"Index of refraction = 1.4069 at 20 °C/D"},Solubility:{Value:"Miscible with ethanol, ethyl ether; very soluble in ligroin"},Taste:{Value:"Burning taste"},"Vapor Density":{Value:"3.93 (Air = 1)"},"Vapor Pressure":{Value:"5.2 mm Hg at 20 °C"},Viscosity:{Value:"0.0074 cP at 20 °C"}},ReducedFormula:"C7H14O1"},31247:{PUBCHEM:{CID:"31247","Compound Complexity":86.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Vinyl butanoate","IUPAC Name CAS-like Style":"Butanoic acid ethenyl ester","IUPAC Name Markup":"Ethenyl butanoate","IUPAC Name Preferred":"Ethenyl butanoate","IUPAC Name Systematic":"Ethenyl butanoate","IUPAC Name Traditional":"Butyric acid vinyl ester",InChI:"1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3",InChIKey:"MEGHWIAOTJPCHQ-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":114.068079562,"Molecular Formula":"C6H10O2","Molecular Weight":114.14,"Monoisotopic Mass":114.068079562,Charge:0,"Easy Name":"Vinyl butyrate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C6H10O2"},31256:{PUBCHEM:{CID:"31256","Compound Complexity":94.7,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"4-hydroxy-4-methyl-pentan-2-one","IUPAC Name CAS-like Style":"4-hydroxy-4-methyl-2-pentanone","IUPAC Name Markup":"4-hydroxy-4-methylpentan-2-one","IUPAC Name Preferred":"4-hydroxy-4-methylpentan-2-one","IUPAC Name Systematic":"4-methyl-4-oxidanyl-pentan-2-one","IUPAC Name Traditional":"4-hydroxy-4-methyl-pentan-2-one",InChI:"1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3",InChIKey:"SWXVUIWOUIDPGS-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":116.08372963,"Molecular Formula":"C6H12O2","Molecular Weight":116.16,"Monoisotopic Mass":116.08372963,Charge:0,"Easy Name":"Diacetone alcohol","Easy Category":"Ketone"},HSDB:{"Boiling Point":{Value:"167.9 °C AT 760 MM HG; 108.2 °C AT 100 MM HG; 72.0 °C AT 20 MM HG; 58.8 °C AT 10 MM HG; 22.0 °C AT 1.0 MM HG"},"Color And Form":{Value:"COLORLESS LIQUID"},"Critical Temperature And Pressure":{Value:"CRITICAL TEMPERATURE: 633 °F, 334 °C, 607 DEG K; CRITICAL PRESSURE: 380 PSIA= 36 ATM= 3.6 MN/SQ M"},Density:{Value:"0.9306 @ 25 °C/4 °C (0.940 FOR TECHNICAL GRADE)"},"Heat Of Vaporization":{Value:"11718.8 GCAL/GMOL"},"Melting Point":{Value:"-44 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},Odor:{Value:"FAINT PLEASANT ODOR"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4232 AT 20 °C/D"},Solubility:{Value:"MISCIBLE WITH WATER, ALCOHOL, ETHER, OTHER SOLVENTS"},Uses:{Value:"INT IN SYNTH OF MESITYL OXIDE, HEXALENE GLYCOL AND OTHER ORG CHEMS"},"Vapor Density":{Value:"4.0 (AIR= 1.00)"},"Vapor Pressure":{Value:"0.97 MM HG AT 20 °C"}},ReducedFormula:"C6H12O2"},31260:{PUBCHEM:{CID:"31260","Compound Complexity":25.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"3-methylbutan-1-ol","IUPAC Name CAS-like Style":"3-methyl-1-butanol","IUPAC Name Markup":"3-methylbutan-1-ol","IUPAC Name Preferred":"3-methylbutan-1-ol","IUPAC Name Systematic":"3-methylbutan-1-ol","IUPAC Name Traditional":"3-methylbutan-1-ol",InChI:"1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",InChIKey:"PHTQWCKDNZKARW-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":88.08881501,"Molecular Formula":"C5H12O","Molecular Weight":88.15,"Monoisotopic Mass":88.08881501,Charge:0,"Easy Name":"Isoamyl alcohol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"132.5 °C"},"Color And Form":{Value:"OILY, CLEAR LIQ"},"Critical Temperature And Pressure":{Value:"Critical temperature = 307 deg K"},Density:{Value:"0.813 @ 15 °C/4 °C"},"Heat Of Vaporization":{Value:"13.3 kcal/mole @ constant pressure"},"Melting Point":{Value:"-117.2 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},Odor:{Value:"CHARACTERISTIC, DISAGREEABLE ODOR"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4075 @ 20 °C/D"},Solubility:{Value:"MISCIBLE WITH ALC, ETHER, BENZENE, CHLOROFORM, PETROLEUM ETHER, GLACIAL ACETIC ACID, OILS"},Taste:{Value:"PUNGENT, REPULSIVE TASTE"},Uses:{Value:"SYNTHETIC FLAVOR; INTERMEDIATE IN PREPN OF PHARMACEUTICALS; FOR ISOAMYL ACETATE AND OTHER ESTERS; FOR DITHIOPHOSPHATE ESTERS (LUBRICATING OIL ADDITIVE AND HYDRAULIC FLUID ADDITIVE)"},"Vapor Density":{Value:"3.04 (AIR=1)"},"Vapor Pressure":{Value:"2.37 mm Hg @ 25 °C"},Viscosity:{Value:"3.738 cP @ 25 °C"}},ReducedFormula:"C5H12O1"},31261:{PUBCHEM:{CID:"31261","Compound Complexity":82.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Pentane-2,4-dione","IUPAC Name CAS-like Style":"Pentane-2,4-dione","IUPAC Name Markup":"Pentane-2,4-dione","IUPAC Name Preferred":"Pentane-2,4-dione","IUPAC Name Systematic":"Pentane-2,4-dione","IUPAC Name Traditional":"Pentane-2,4-dione",InChI:"1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3",InChIKey:"YRKCREAYFQTBPV-UHFFFAOYSA-N","Log P":.4,"Exact Mass":100.052429497,"Molecular Formula":"C5H8O2","Molecular Weight":100.12,"Monoisotopic Mass":100.052429497,Charge:0,"Easy Name":"Acetylacetone","Easy Category":"Ketone"},HSDB:{"Boiling Point":{Value:"138 °C"},"Color And Form":{Value:"Colorless or slightly yellow liquid"},Density:{Value:"0.9721 at 25 °C/4 °C"},"Heat Of Vaporization":{Value:"36.55 kJ/mol at 101.3 kPa"},"Melting Point":{Value:"-23 °C"},"NFPA Hazard Classification":{Value:"2-3-0"},Odor:{Value:"Pleasant odor"},"Refractive Index":{Value:"Index of refraction: 1.4494 at 20 °C/D"},Solubility:{Value:"In water, 166,000 mg/L at 20 °C"},Uses:{Value:"Forms organometallic complexes which are used as gasoline additives, lubricant additives, driers for varnishes and printer's inks ... ."},"Vapor Density":{Value:"3.5 (Air = 1)"},"Vapor Pressure":{Value:"2.96 mm Hg at 20 °C (est)"},Viscosity:{Value:"0.6 mPa.s at 20 °C"}},ReducedFormula:"C5H8O2"},31263:{PUBCHEM:{CID:"31263","Compound Complexity":104,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Propanoyl propanoate","IUPAC Name CAS-like Style":"Propanoic acid 1-oxopropyl ester","IUPAC Name Markup":"Propanoyl propanoate","IUPAC Name Preferred":"Propanoyl propanoate","IUPAC Name Systematic":"Propanoyl propanoate","IUPAC Name Traditional":"Propionic acid propionyl ester",InChI:"1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3",InChIKey:"WYVAMUWZEOHJOQ-UHFFFAOYSA-N","Log P":.8,"Exact Mass":130.06299418,"Molecular Formula":"C6H10O3","Molecular Weight":130.14,"Monoisotopic Mass":130.06299418,Charge:0,"Easy Name":"Propionic anhydride","Easy Category":"Acid anhydride"},HSDB:{"Boiling Point":{Value:"170 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"1.011 g/cu cm at 20 °C"},"Melting Point":{Value:"-45 °C"},"NFPA Hazard Classification":{Value:"3-2-1"},Odor:{Value:"Very rancid odor"},"Refractive Index":{Value:"Index of refraction: 1.4038 at 20 °C/D ; 1.4041 at 17 °C/D"},Solubility:{Value:"Decomposed by water; soluble in methanol, ethanol, ether and chloroform"},Uses:{Value:"For propionic anhydride (USEPA/OPP Pesticide Code: 077704) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"4.49 (Air = 1)"},"Vapor Pressure":{Value:"1.36 mm Hg at 25 °C"},Viscosity:{Value:"1.144 cP at 20 °C; 0.978 cP at 30 °C; 0853 cP at 40 °C; 0.7511 cP at 50 °C"}},ReducedFormula:"C6H10O3"},31266:{PUBCHEM:{CID:"31266","Compound Complexity":119,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Allyl hexanoate","IUPAC Name CAS-like Style":"Hexanoic acid prop-2-enyl ester","IUPAC Name Markup":"Prop-2-enyl hexanoate","IUPAC Name Preferred":"Prop-2-enyl hexanoate","IUPAC Name Systematic":"Prop-2-enyl hexanoate","IUPAC Name Traditional":"Hexanoic acid allyl ester",InChI:"1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3",InChIKey:"RCSBILYQLVXLJG-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":156.11502976,"Molecular Formula":"C9H16O2","Molecular Weight":156.22,"Monoisotopic Mass":156.11502976,Charge:0,"Easy Name":"Allyl hexanoate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C9H16O2"},31272:{PUBCHEM:{CID:"31272","Compound Complexity":68.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Butyl acetate","IUPAC Name CAS-like Style":"Acetic acid butyl ester","IUPAC Name Markup":"Butyl acetate","IUPAC Name Preferred":"Butyl acetate","IUPAC Name Systematic":"Butyl ethanoate","IUPAC Name Traditional":"Acetic acid butyl ester",InChI:"1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3",InChIKey:"DKPFZGUDAPQIHT-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":116.08372963,"Molecular Formula":"C6H12O2","Molecular Weight":116.16,"Monoisotopic Mass":116.08372963,Charge:0,"Easy Name":"Butyl acetate","Easy Category":"Solvents"},HSDB:{"Boiling Point":{Value:"126.0 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 578 K; critical pressure: 3.16 MPa"},Density:{Value:"0.8825 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"36.28 kJ/mol at BP; 43.86 kJ/mol at 25 °C"},"Melting Point":{Value:"-77 °C"},"NFPA Hazard Classification":{Value:"2-3-0"},Odor:{Value:"Strong fruity odor"},"Refractive Index":{Value:"Index of Refraction: 1.3941 at 20 °C/D"},Solubility:{Value:"In water, 8.33X10+3 mg/L at 25 °C"},Taste:{Value:"Burning and then sweet taste reminiscent of pineapple"},Uses:{Value:"Manufacture of lacquer, artificial leather, photographic films, plastics, safety glass. Organic solvent."},"Vapor Density":{Value:"4.0 (Air = 1)"},"Vapor Pressure":{Value:"11.5 mm Hg at 25 °C /ext/"},Viscosity:{Value:"1.002 mPa.s at 0 °C; 0.685 mPa s at 25 °C; 0.500 mPa.s at 50 °C; 0.383 mPa.s at 75 °C; 0.305 mPa.s at 100 °C"}},ReducedFormula:"C6H12O2"},31275:{PUBCHEM:{CID:"31275","Compound Complexity":26.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4-dioxane","IUPAC Name CAS-like Style":"1,4-dioxane","IUPAC Name Markup":"1,4-dioxane","IUPAC Name Preferred":"1,4-dioxane","IUPAC Name Systematic":"1,4-dioxane","IUPAC Name Traditional":"1,4-dioxane",InChI:"1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2",InChIKey:"RYHBNJHYFVUHQT-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":88.052429497,"Molecular Formula":"C4H8O2","Molecular Weight":88.11,"Monoisotopic Mass":88.052429497,Charge:0,"Easy Name":"Dioxane","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"101.2 °C"},"Color And Form":{Value:"Colorless liquid or solid (below 53 degrees F)"},"Critical Temperature And Pressure":{Value:"Critical temperature: 312 °C; critical pressure: 50.7 atm"},Density:{Value:"1.0337 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"34.15 kJ/mol at 101.5 °C; 38.60 kJ/mol at 25 °C"},"Melting Point":{Value:"11.75 °C"},"NFPA Hazard Classification":{Value:"2-3-1"},Odor:{Value:"Faint pleasant odor"},"Refractive Index":{Value:"Index of refraction: 1.4224 20 °C"},Solubility:{Value:"In water, >800 g/L at 25 °C"},Uses:{Value:"Stabilizer in chlorinated solvents. Organic solvent for cellulose acetate, ethyl cellulose, benzyl cellulose, resins, oils, waxes, oil and spirit-soluble dyes, and many other organic as well as some inorganic compounds."},"Vapor Density":{Value:"3.03 (Air = 1)"},"Vapor Pressure":{Value:"38.1 mm Hg at 25 °C"},Viscosity:{Value:"0.0120 centipoise at 25 °C"}},ReducedFormula:"C4H8O2"},31276:{PUBCHEM:{CID:"31276","Compound Complexity":86.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Isopentyl acetate","IUPAC Name CAS-like Style":"Acetic acid 3-methylbutyl ester","IUPAC Name Markup":"3-methylbutyl acetate","IUPAC Name Preferred":"3-methylbutyl acetate","IUPAC Name Systematic":"3-methylbutyl ethanoate","IUPAC Name Traditional":"Acetic acid isoamyl ester",InChI:"1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3",InChIKey:"MLFHJEHSLIIPHL-UHFFFAOYSA-N","Log P":2,"Exact Mass":130.09937969,"Molecular Formula":"C7H14O2","Molecular Weight":130.18,"Monoisotopic Mass":130.09937969,Charge:0,"Easy Name":"Isoamyl acetate","Easy Category":"Ester"},HSDB:{"Boiling Point":{Value:"142 °C"},"Color And Form":{Value:"Colorless neutral liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 326.1 °C; Critical pressure: 28 atm"},Density:{Value:"0.876 at 15 °C/4 °C"},"Heat Of Vaporization":{Value:"10,494.9 g cal/g mol (multiply by 4.184 for J/g mol)"},"Melting Point":{Value:"-78.5 °C"},"NFPA Hazard Classification":{Value:"1-3-0"},Odor:{Value:"Pear-like odor"},"Refractive Index":{Value:"Index of refraction: 1.4000 at 20 °C/D"},Solubility:{Value:"In water, 2000 mg/L at 25 °C"},Taste:{Value:"Bittersweet taste reminiscent of pear ... Taste characteristics at 30 ppm: sweet fruity, banana-like with a green ripe nuance."},Uses:{Value:"In alcohol solutions as a pear flavor in mineral waters and syrups; as solvent for old oil colors, for tannins, nitrocellulose, lacquers, celluloid and camphor; swelling bath sponges; covering unpleasant odors, perfuming shoe polish; manufacturing artificial silk, leather, or pearls, photographic films, celluloid cements, waterproof varnishes, bronzing liquids, and metallic paints; dying and finishing textiles. A special grade of the amyl acetate has been used for burning in the Hefner lamp serving as a photometric standard."},"Vapor Pressure":{Value:"5.6 mm Hg at 25 °C /from experimentally derived coefficients/"},Viscosity:{Value:"1.030 cP at 8.97 °C; 0.872 cP at 19.91 °C."}},ReducedFormula:"C7H14O2"},31285:{PUBCHEM:{CID:"31285","Compound Complexity":55.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"Non-1-ene","IUPAC Name CAS-like Style":"1-nonene","IUPAC Name Markup":"Non-1-ene","IUPAC Name Preferred":"Non-1-ene","IUPAC Name Systematic":"Non-1-ene","IUPAC Name Traditional":"Non-1-ene",InChI:"1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3",InChIKey:"JRZJOMJEPLMPRA-UHFFFAOYSA-N","Log P":5.2,"Exact Mass":126.14085058,"Molecular Formula":"C9H18","Molecular Weight":126.24,"Monoisotopic Mass":126.14085058,Charge:0,"Easy Name":"Nonene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"146.9 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 327.8 °C; Critical pressure: 24.5 atm"},Density:{Value:"0.7433"},"Heat Of Vaporization":{Value:"2.88X10+5 J/kg"},"Melting Point":{Value:"-81.3 °C"},"NFPA Hazard Classification":{Value:"0-3-0"},Odor:{Value:"Strong, grassy, onion, rancid"},"Refractive Index":{Value:"Index of refraction: 1.4257 @ 20 °C/D"},Solubility:{Value:"Insol in water, soluble in alcohol"},Uses:{Value:"ORGANIC SYNTHESIS, WETTING AGENT, LUBE OIL ADDITIVE, POLYMER GASOLINE. /1-NONENE, 1-NONYLENE/"},"Vapor Density":{Value:"4.35 (Air= 1)"},"Vapor Pressure":{Value:"5.40 mm Hg @ 25 °C"},Viscosity:{Value:"0.851 sq mm/sec @ 20 °C"}},ReducedFormula:"C9H18"},31316:{PUBCHEM:{CID:"31316","Compound Complexity":636,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"3,3-bis(4-hydroxy-5-isopropyl-2-methyl-phenyl)isobenzofuran-1-one","IUPAC Name CAS-like Style":"3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone","IUPAC Name Markup":"3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one","IUPAC Name Preferred":"3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one","IUPAC Name Systematic":"3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-benzofuran-1-one","IUPAC Name Traditional":"Thymolphthalein",InChI:"1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3",InChIKey:"LDKDGDIWEUUXSH-UHFFFAOYSA-N","Log P":6.8,"Exact Mass":430.21440945,"Molecular Formula":"C28H30O4","Molecular Weight":430.5,"Monoisotopic Mass":430.21440945,Charge:0,"Easy Name":"Thymolphthalein","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C28H30O4"},31335:{PUBCHEM:{CID:"31335","Compound Complexity":231,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"3-bromo-1-chloro-5,5-dimethyl-imidazolidine-2,4-dione","IUPAC Name CAS-like Style":"3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione","IUPAC Name Markup":"3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione","IUPAC Name Preferred":"3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione","IUPAC Name Systematic":"3-bromanyl-1-chloranyl-5,5-dimethyl-imidazolidine-2,4-dione","IUPAC Name Traditional":"3-bromo-1-chloro-5,5-dimethyl-hydantoin",InChI:"1S/C5H6BrClN2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3",InChIKey:"PQRDTUFVDILINV-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":239.93012,"Molecular Formula":"C5H6BrClN2O2","Molecular Weight":241.47,"Monoisotopic Mass":239.93012,Charge:0,"Easy Name":"BCDMH","Easy Category":"Organobromides"},HSDB:{"Color And Form":{Value:"Free-flowing white powder"},"Melting Point":{Value:"163-165 °C"},Odor:{Value:"Faint halogen odor"},Solubility:{Value:"Sol in benzene, methylene dichloride, chloroform"},Uses:{Value:"Germicide & fungicide in treatment of water; disinfectant; halogenating agent; catalyst of ionic type; selective oxidant"},"Vapor Pressure":{Value:"6.6X10-6 mm Hg at 25 °C (est)"}},ReducedFormula:"Br1C5Cl1H6N2O2"},31340:{PUBCHEM:{CID:"31340","Compound Complexity":1210,"Hydrogen Bond Acceptor":19,"Hydrogen Bond Donor":0,"Rotatable Bond":21,"IUPAC Name Allowed":"[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate","IUPAC Name CAS-like Style":"Acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)-2-oxolanyl]oxy]-2-oxanyl]methyl ester","IUPAC Name Markup":"[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate","IUPAC Name Preferred":"[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate","IUPAC Name Systematic":"[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxy-oxan-2-yl]methyl ethanoate","IUPAC Name Traditional":"Acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester",InChI:"1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+/m1/s1",InChIKey:"ZIJKGAXBCRWEOL-SAXBRCJISA-N","Log P":-.9,"Exact Mass":678.200729,"Molecular Formula":"C28H38O19","Molecular Weight":678.6,"Monoisotopic Mass":678.200729,Charge:0,"Easy Name":"Sucrose octaacetate","Easy Category":"Sugar"},HSDB:{},ReducedFormula:"C28H38O19"},31344:{PUBCHEM:{CID:"31344","Compound Complexity":44,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2,2-dimethylpropane-1,3-diol","IUPAC Name CAS-like Style":"2,2-dimethylpropane-1,3-diol","IUPAC Name Markup":"2,2-dimethylpropane-1,3-diol","IUPAC Name Preferred":"2,2-dimethylpropane-1,3-diol","IUPAC Name Systematic":"2,2-dimethylpropane-1,3-diol","IUPAC Name Traditional":"2,2-dimethylpropane-1,3-diol",InChI:"1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3",InChIKey:"SLCVBVWXLSEKPL-UHFFFAOYSA-N","Log P":0,"Exact Mass":104.08372963,"Molecular Formula":"C5H12O2","Molecular Weight":104.15,"Monoisotopic Mass":104.08372963,Charge:0,"Easy Name":"Neopentyl glycol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"207 °C"},"Color And Form":{Value:"Needles from benzene"},Density:{Value:"1.1 g/cu cm"},"Melting Point":{Value:"129.3 °C"},"NFPA Hazard Classification":{Value:"1-1-0"},Odor:{Value:"Sweetish"},Solubility:{Value:"In water, 2.0X10+4 mg/L at 25 °C (est)"},"Vapor Density":{Value:"3.6 (Air =1)"},"Vapor Pressure":{Value:"1.27X10-2 mm Hg at 25 °C"}},ReducedFormula:"C5H12O2"},31348:{PUBCHEM:{CID:"31348","Compound Complexity":211,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Citrate","IUPAC Name CAS-like Style":"2-hydroxypropane-1,2,3-tricarboxylate","IUPAC Name Markup":"2-hydroxypropane-1,2,3-tricarboxylate","IUPAC Name Preferred":"2-hydroxypropane-1,2,3-tricarboxylate","IUPAC Name Systematic":"2-oxidanylpropane-1,2,3-tricarboxylate","IUPAC Name Traditional":"Citrate",InChI:"1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3",InChIKey:"KRKNYBCHXYNGOX-UHFFFAOYSA-K","Log P":.2,"Exact Mass":189.0035275,"Molecular Formula":"C6H5O7-3","Molecular Weight":189.1,"Monoisotopic Mass":189.0035275,Charge:-3,"Easy Name":"Citrate","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"-3C6H5O7"},31373:{PUBCHEM:{CID:"31373","Compound Complexity":55.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,2,2-tetrachloroethylene","IUPAC Name CAS-like Style":"1,1,2,2-tetrachloroethene","IUPAC Name Markup":"1,1,2,2-tetrachloroethene","IUPAC Name Preferred":"1,1,2,2-tetrachloroethene","IUPAC Name Systematic":"1,1,2,2-tetrakis(chloranyl)ethene","IUPAC Name Traditional":"1,1,2,2-tetrachloroethylene",InChI:"1S/C2Cl4/c3-1(4)2(5)6",InChIKey:"CYTYCFOTNPOANT-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":165.872461,"Molecular Formula":"C2Cl4","Molecular Weight":165.8,"Monoisotopic Mass":163.875411,Charge:0,"Easy Name":"Tetrachloroethylene","Easy Category":"Solvents"},HSDB:{"Boiling Point":{Value:"121.2 °C"},"Color And Form":{Value:"Colorless liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 347.1 °C; critical pressure: 9.74 MPa (to convert MPa to atm, divide by 0.101)"},Density:{Value:"1.6230 g/cu cm at 20 °C"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of tetrachloroethylene stem from its toxicologic properties. Exposure to this colorless liquid may occur from its use as a solvent and as an intermediate in chemical syntheses. In addition to eye and skin inflammation from contacting liquid tetrachloroethylene, inhalation of its vapor can cause central nervous system depression, liver necrosis, and effects on the lung, heart, and kidney. Tetrachloroethylene's sweet chloroform-like odor may warn of its presence at a sub-TLV level of 4.68 ppm; however,the distinctive odor of tetrachloroethylene does not necessarily provide adequate warning. Because tetrachloroethylene quickly desensitizes olfactory responses, persons can suffer exposure to vapor concentrations in excess of TLV limits without smelling it. To assure against exposure, it is recommended that self-contained breathing apparatus and full protective clothing be worn, especially in fire or spill situations. Although considered nonflammable, containers of tetrachloroethylene may explode in the heat of a fire and its vapor will decompose in contact with open flames or red-heated materials to yield the poisonous gas, phosgene. For small fires involving tetrachloroethylene, extinguish with dry chemical or CO2, and for large fires, use water spray, fog, or foam. Cool containers with water. If the fire involves a tank car or truck, isolate the area for 1/2 mile in all directions. Tetrachloroethylene should be stored in a cool, dry, well-ventilated location, away from strong oxidizers, potential fire hazards, caustic soda, potash, and chemically active metals such as barium, lithium, and beryllium. For small spills of tetrachloroethylene, ventilate the area then take up with vermiculite, dry sand, or earth. Large spills should be diked for later disposal. Prior to implementing land disposal of waste residues (including waste sludge), consult environmental regulatory agencies for guidance."},"Heat Of Vaporization":{Value:"90.2 BTU/lb = 50.1 cal/g = 2.10X10+5 J/kg"},"Melting Point":{Value:"-22.2 °C"},"NFPA Hazard Classification":{Value:"2-0-0"},Odor:{Value:"Ether-like odor"},"Refractive Index":{Value:"Index of refraction: 1.5053 at 20 °C/D"},Solubility:{Value:"In water, 206 mg/L at 25 °C"},Uses:{Value:"For tetrachloroethylene (USEPA/OPP Pesticide Code: 078501) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"5.83 (Air = 1)"},"Vapor Pressure":{Value:"18.5 mm Hg at 25 °C"},Viscosity:{Value:"Liquid (cP): 0.932 at 15 °C; 0.839 at 25 °C; 0.657 at 50 °C; 0.534 at 75 °C. Vapor: 9900 cP at 60 °C"}},ReducedFormula:"C2Cl4"},31374:{PUBCHEM:{CID:"31374","Compound Complexity":58.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"N,N-dimethylacetamide","IUPAC Name CAS-like Style":"N,N-dimethylacetamide","IUPAC Name Markup":"N,N-dimethylacetamide","IUPAC Name Preferred":"N,N-dimethylacetamide","IUPAC Name Systematic":"N,N-dimethylethanamide","IUPAC Name Traditional":"N,N-dimethylacetamide",InChI:"1S/C4H9NO/c1-4(6)5(2)3/h1-3H3",InChIKey:"FXHOOIRPVKKKFG-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":87.068413914,"Molecular Formula":"C4H9NO","Molecular Weight":87.12,"Monoisotopic Mass":87.068413914,Charge:0,"Easy Name":"Dimethylacetamide","Easy Category":"Amide"},HSDB:{"Boiling Point":{Value:"163-165 °C"},"Color And Form":{Value:"Liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 385 °C; critical pressure: 39.7 atm"},Density:{Value:"0.9366 @ 25 °C/4 °C"},"Heat Of Vaporization":{Value:"119 CAL/G"},"Melting Point":{Value:"-18.59 °C"},"NFPA Hazard Classification":{Value:"2-2-0"},Odor:{Value:"AMINE"},"Refractive Index":{Value:"Index of refraction: 1.4230 @ 20 °C/D; 1.4358 @ 25 °C/D"},Solubility:{Value:"SOL IN BENZENE"},Uses:{Value:"Solvent in industrial applications"},"Vapor Density":{Value:"3.01 (Air= 1)"},"Vapor Pressure":{Value:"2 mm Hg @ 25 °C"},Viscosity:{Value:"0.92 cP @ 25 °C"}},ReducedFormula:"C4H9N1O1"},31401:{PUBCHEM:{CID:"31401","Compound Complexity":605,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1",InChIKey:"RUDATBOHQWOJDD-UZVSRGJWSA-N","Log P":4.9,"Exact Mass":392.29265977,"Molecular Formula":"C24H40O4","Molecular Weight":392.6,"Monoisotopic Mass":392.29265977,Charge:0,"Easy Name":"Ursodeoxycholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O4"},31423:{PUBCHEM:{CID:"31423","Compound Complexity":217,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyrene","IUPAC Name CAS-like Style":"Pyrene","IUPAC Name Markup":"Pyrene","IUPAC Name Preferred":"Pyrene","IUPAC Name Systematic":"Pyrene","IUPAC Name Traditional":"Pyrene",InChI:"1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H",InChIKey:"BBEAQIROQSPTKN-UHFFFAOYSA-N","Log P":4.9,"Exact Mass":202.078250322,"Molecular Formula":"C16H10","Molecular Weight":202.25,"Monoisotopic Mass":202.078250322,Charge:0,"Easy Name":"Pyrene","Easy Category":"Aromatic hydrocarbons"},HSDB:{"Boiling Point":{Value:"394 °C"},"Color And Form":{Value:"Monoclinic prismatic tablets from alcohol or by sublimation; pure pyrene is colorless"},"Critical Temperature And Pressure":{Value:"Critical temperature: 936 deg K (est); critical oressure: 2610 kPa (est)"},Density:{Value:"1.271 g/cu cm at 23 °C"},"Heat Of Vaporization":{Value:"3.21X10+5 J/kg"},"Melting Point":{Value:"150.62 °C"},Solubility:{Value:"In water, 0.135 mg/L at 25 °C"},Uses:{Value:"Optical brighteners can be synthesized by reaction of pyrene with a complex of cyanuric chloride and aluminum chloride."},"Vapor Pressure":{Value:"4.5X10-6 mm Hg at 25 °C"}},ReducedFormula:"C16H10"},32490:{PUBCHEM:{CID:"32490","Compound Complexity":138,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"Propyl N-[3-(dimethylamino)propyl]carbamate","IUPAC Name CAS-like Style":"N-[3-(dimethylamino)propyl]carbamic acid propyl ester","IUPAC Name Markup":"Propyl N-[3-(dimethylamino)propyl]carbamate","IUPAC Name Preferred":"Propyl N-[3-(dimethylamino)propyl]carbamate","IUPAC Name Systematic":"Propyl N-[3-(dimethylamino)propyl]carbamate","IUPAC Name Traditional":"N-[3-(dimethylamino)propyl]carbamic acid propyl ester",InChI:"1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)",InChIKey:"WZZLDXDUQPOXNW-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":188.15247789,"Molecular Formula":"C9H20N2O2","Molecular Weight":188.27,"Monoisotopic Mass":188.15247789,Charge:0,"Easy Name":"Propamocarb","Easy Category":"Ester"},HSDB:{"Refractive Index":{Value:"Index of refraction: 1.4490 at 20 °C/D"},Solubility:{Value:"In water, 9.0X10+5 mg/L at 20 °C, pH 7.0"},"Vapor Pressure":{Value:"5.48X10-2 mm Hg at 25 °C"}},ReducedFormula:"C9H20N2O2"},32743:{PUBCHEM:{CID:"32743","Compound Complexity":65.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"But-3-enoic acid","IUPAC Name CAS-like Style":"3-butenoic acid","IUPAC Name Markup":"But-3-enoic acid","IUPAC Name Preferred":"But-3-enoic acid","IUPAC Name Systematic":"But-3-enoic acid","IUPAC Name Traditional":"But-3-enoic acid",InChI:"1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)",InChIKey:"PVEOYINWKBTPIZ-UHFFFAOYSA-N","Log P":.5,"Exact Mass":86.036779433,"Molecular Formula":"C4H6O2","Molecular Weight":86.09,"Monoisotopic Mass":86.036779433,Charge:0,"Easy Name":"Vinylacetic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C4H6O2"},32778:{PUBCHEM:{CID:"32778","Compound Complexity":697,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":7,"IUPAC Name Allowed":"N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide","IUPAC Name CAS-like Style":"N-[2-[4-[[(1-azepanylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-5-methyl-3-isoxazolecarboxamide","IUPAC Name Markup":"N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide","IUPAC Name Preferred":"N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide","IUPAC Name Systematic":"N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide","IUPAC Name Traditional":"N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide",InChI:"1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)",InChIKey:"ZKUDBRCEOBOWLF-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":449.17329017,"Molecular Formula":"C20H27N5O5S","Molecular Weight":449.5,"Monoisotopic Mass":449.17329017,Charge:0,"Easy Name":"Glisoxepide","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C20H27N5O5S1"},32858:{PUBCHEM:{CID:"32858","Compound Complexity":183,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":6,"Rotatable Bond":0,"IUPAC Name Allowed":"Benzene-1,2-diamine;benzene-1,3-diamine;benzene-1,4-diamine","IUPAC Name CAS-like Style":"Benzene-1,2-diamine;benzene-1,3-diamine;benzene-1,4-diamine","IUPAC Name Markup":"Benzene-1,2-diamine;benzene-1,3-diamine;benzene-1,4-diamine","IUPAC Name Preferred":"Benzene-1,2-diamine;benzene-1,3-diamine;benzene-1,4-diamine","IUPAC Name Systematic":"Benzene-1,2-diamine;benzene-1,3-diamine;benzene-1,4-diamine","IUPAC Name Traditional":"M-phenylenediamine;o-phenylenediamine;p-phenylenediamine",InChI:"1S/3C6H8N2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8/h3*1-4H,7-8H2",InChIKey:"LGZPGNGUUUOHAI-UHFFFAOYSA-N","Exact Mass":324.2062448,"Molecular Formula":"C18H24N6","Molecular Weight":324.4,"Monoisotopic Mass":324.2062448,Charge:0,"Easy Name":"Phenylenediamine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C18H24N6"},33005:{PUBCHEM:{CID:"33005","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;oxalate","IUPAC Name CAS-like Style":"Calcium;oxalate","IUPAC Name Markup":"Calcium;oxalate","IUPAC Name Preferred":"Calcium;oxalate","IUPAC Name Systematic":"Calcium;ethanedioate","IUPAC Name Traditional":"Calcium;oxalate",InChI:"1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",InChIKey:"QXDMQSPYEZFLGF-UHFFFAOYSA-L","Exact Mass":127.9422493,"Molecular Formula":"C2CaO4","Molecular Weight":128.1,"Monoisotopic Mass":127.9422493,Charge:0,"Easy Name":"Calcium oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2Ca1O4"},33016:{PUBCHEM:{CID:"33016","Compound Complexity":35.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"3-chlorohexane","IUPAC Name CAS-like Style":"3-chlorohexane","IUPAC Name Markup":"3-chlorohexane","IUPAC Name Preferred":"3-chlorohexane","IUPAC Name Systematic":"3-chloranylhexane","IUPAC Name Traditional":"3-chlorohexane",InChI:"1S/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3",InChIKey:"BXSMMAVTEURRGG-UHFFFAOYSA-N","Log P":3,"Exact Mass":120.0705781,"Molecular Formula":"C6H13Cl","Molecular Weight":120.62,"Monoisotopic Mass":120.0705781,Charge:0,"Easy Name":"3-Chlorohexane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C6Cl1H13"},33032:{PUBCHEM:{CID:"33032","Compound Complexity":145,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S)-2-aminopentanedioic acid","IUPAC Name CAS-like Style":"(2S)-2-aminopentanedioic acid","IUPAC Name Markup":"(2S)-2-aminopentanedioic acid","IUPAC Name Preferred":"(2S)-2-aminopentanedioic acid","IUPAC Name Systematic":"(2S)-2-azanylpentanedioic acid","IUPAC Name Traditional":"(2S)-2-aminoglutaric acid",InChI:"1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",InChIKey:"WHUUTDBJXJRKMK-VKHMYHEASA-N","Log P":-3.7,"Exact Mass":147.05315777,"Molecular Formula":"C5H9NO4","Molecular Weight":147.13,"Monoisotopic Mass":147.05315777,Charge:0,"Easy Name":"Glutamic acid","Easy Category":"Amino acids"},HSDB:{"Boiling Point":{Value:"Sublimes at 175 °C"},"Color And Form":{Value:"Orthorhombic plates from dilute alcohol"},Density:{Value:"1.538 g/cu cm at 20 °C"},"Melting Point":{Value:"213 °C (OECD Guideline 102 (Melting point / Melting Range))"},Odor:{Value:"Odorless"},pH:{Value:"Aqueous solutions have pH values of approximately 2"},Solubility:{Value:"In water, 8570 mg/L at 25 °C"},Taste:{Value:"Umami sour taste"},Uses:{Value:"For L-glutamic acid (USEPA/OPP Pesticide Code: 374350) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"<1.10X10-5 mm Hg at 20 °C (OECD Guideline 104 (Vapor Pressure Curve))"}},ReducedFormula:"C5H9N1O4"},33037:{PUBCHEM:{CID:"33037","Compound Complexity":202,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":6,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid","IUPAC Name Markup":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid","IUPAC Name Preferred":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid","IUPAC Name Systematic":"(2S,3S,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanedioic acid","IUPAC Name Traditional":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyadipic acid",InChI:"1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1",InChIKey:"DSLZVSRJTYRBFB-LLEIAEIESA-N","Log P":-2.5,"Exact Mass":210.03756728,"Molecular Formula":"C6H10O8","Molecular Weight":210.14,"Monoisotopic Mass":210.03756728,Charge:0,"Easy Name":"Saccharic acid","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"CRYSTALLINE POWDER"},Solubility:{Value:"SOL IN 300 PARTS COLD WATER, 60 PARTS BOILING WATER; SOL IN ALKALIES; PRACTICALLY INSOL IN ALCOHOL, ETHER"},Uses:{Value:"SUBSTITUTE FOR TARTARIC ACID; SEQUESTERANT FOR METAL IONS (CALCIUM, IRON)"}},ReducedFormula:"C6H10O8"},33112:{PUBCHEM:{CID:"33112","Compound Complexity":138,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":7,"IUPAC Name Allowed":"Dimethyl-[3-(propoxycarbonylamino)propyl]ammonium;chloride","IUPAC Name CAS-like Style":"Dimethyl-[3-[[oxo(propoxy)methyl]amino]propyl]ammonium;chloride","IUPAC Name Markup":"Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride","IUPAC Name Preferred":"Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride","IUPAC Name Systematic":"Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride","IUPAC Name Traditional":"Dimethyl-[3-(propoxycarbonylamino)propyl]ammonium;chloride",InChI:"1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H",InChIKey:"MKIMSXGUTQTKJU-UHFFFAOYSA-N","Exact Mass":224.1291556,"Molecular Formula":"C9H21ClN2O2","Molecular Weight":224.73,"Monoisotopic Mass":224.1291556,Charge:0,"Easy Name":"Propamocarb hydrochloride","Easy Category":"Ester"},HSDB:{"Refractive Index":{Value:"Index of refraction: 1.4490 at 20 °C/D"},Solubility:{Value:"In water, 9.0X10+5 mg/L at 20 °C, pH 7.0"},"Vapor Pressure":{Value:"5.48X10-2 mm Hg at 25 °C"}},ReducedFormula:"C9Cl1H21N2O2"},33157:{PUBCHEM:{CID:"33157","Compound Complexity":27.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,1,3-trichloropropane","IUPAC Name CAS-like Style":"1,1,3-trichloropropane","IUPAC Name Markup":"1,1,3-trichloropropane","IUPAC Name Preferred":"1,1,3-trichloropropane","IUPAC Name Systematic":"1,1,3-tris(chloranyl)propane","IUPAC Name Traditional":"1,1,3-trichloropropane",InChI:"1S/C3H5Cl3/c4-2-1-3(5)6/h3H,1-2H2",InChIKey:"URWHLZCXYCQNSY-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":145.945683,"Molecular Formula":"C3H5Cl3","Molecular Weight":147.43,"Monoisotopic Mass":145.945683,Charge:0,"Easy Name":"1, 1, 3-Trichloropropane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3Cl3H5"},33344:{PUBCHEM:{CID:"33344","Compound Complexity":156,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"5-chloro-2-methyl-isothiazol-3-one","IUPAC Name CAS-like Style":"5-chloro-2-methyl-3-isothiazolone","IUPAC Name Markup":"5-chloro-2-methyl-1,2-thiazol-3-one","IUPAC Name Preferred":"5-chloro-2-methyl-1,2-thiazol-3-one","IUPAC Name Systematic":"5-chloranyl-2-methyl-1,2-thiazol-3-one","IUPAC Name Traditional":"5-chloro-2-methyl-4-isothiazolin-3-one",InChI:"1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3",InChIKey:"DHNRXBZYEKSXIM-UHFFFAOYSA-N","Log P":.9,"Exact Mass":148.9702126,"Molecular Formula":"C4H4ClNOS","Molecular Weight":149.6,"Monoisotopic Mass":148.9702126,Charge:0,"Easy Name":"Methylchloroisothiazolinone","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Crystals from ligroin (60-90 °C)"},"Melting Point":{Value:"54-55 °C"},Solubility:{Value:"Solubility in g/100 mL solvent: water, infinite"},"Vapor Pressure":{Value:"0.018 mm Hg at 25 °C"}},ReducedFormula:"C4Cl1H4N1O1S1"},33360:{PUBCHEM:{CID:"33360","Compound Complexity":411,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"(2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl) methanesulfonate","IUPAC Name CAS-like Style":"Methanesulfonic acid (2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl) ester","IUPAC Name Markup":"(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate","IUPAC Name Preferred":"(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate","IUPAC Name Systematic":"(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate","IUPAC Name Traditional":"Methanesulfonic acid (2-ethoxy-3,3-dimethyl-coumaran-5-yl) ester",InChI:"1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3",InChIKey:"IRCMYGHHKLLGHV-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":286.08749485,"Molecular Formula":"C13H18O5S","Molecular Weight":286.35,"Monoisotopic Mass":286.08749485,Charge:0,"Easy Name":"Ethofumesate","Easy Category":"Herbicide"},HSDB:{"Color And Form":{Value:"White crystaline solid"},Density:{Value:"1.29 at 20 °C"},"Melting Point":{Value:"70-72 °C"},Odor:{Value:"Mild, aromatic odor"},Solubility:{Value:">600 mg/L in acetone, dichloromethane, dimethyl sulfoxide, ethyl acetate; 300-600 g/L in toluene and p-xylene; 120-150 g/L in methanol; 60-76 g/L in ethanol; 25-30 g/L in isopropanol; 4.67 g/L in hexane"},Uses:{Value:"For Ethofumesate (USEPA/OPP Pesticide Code: 110601) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"4.9X10-6 mm Hg at 25 °C"}},ReducedFormula:"C13H18O5S1"},33557:{PUBCHEM:{CID:"33557","Compound Complexity":15.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;azide","IUPAC Name CAS-like Style":"Sodium;azide","IUPAC Name Markup":"Sodium;azide","IUPAC Name Preferred":"Sodium;azide","IUPAC Name Systematic":"Sodium;azide","IUPAC Name Traditional":"Sodium;azide",InChI:"1S/N3.Na/c1-3-2;/q-1;+1",InChIKey:"PXIPVTKHYLBLMZ-UHFFFAOYSA-N","Exact Mass":64.9989913,"Molecular Formula":"N3Na","Molecular Weight":65.01,"Monoisotopic Mass":64.9989913,Charge:0,"Easy Name":"Sodium azide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless hexagonal crystals"},Density:{Value:"1.846 at 20 °C"},"Melting Point":{Value:"275 °C (decomp)"},Odor:{Value:"Odorless (with traces of water fishy smelling because of HN3 formation)"},Solubility:{Value:"In water, 41.0 g/100 mL at 17 °C"},Uses:{Value:"For sodium azide (USEPA/OPP Pesticide Code: 107701) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1 Pa at 20 °C"}},ReducedFormula:"N3Na1"},33558:{PUBCHEM:{CID:"33558","Compound Complexity":15.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Azide","IUPAC Name CAS-like Style":"Azide","IUPAC Name Markup":"Azide","IUPAC Name Preferred":"Azide","IUPAC Name Systematic":"Azide","IUPAC Name Traditional":"Azide",InChI:"1S/N3/c1-3-2/q-1",InChIKey:"IVRMZWNICZWHMI-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":42.009222013,"Molecular Formula":"N3-","Molecular Weight":42.021,"Monoisotopic Mass":42.009222013,Charge:-1,"Easy Name":"Azide","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1N3"},33629:{PUBCHEM:{CID:"33629","Compound Complexity":68.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Hex-2-yne","IUPAC Name CAS-like Style":"2-hexyne","IUPAC Name Markup":"Hex-2-yne","IUPAC Name Preferred":"Hex-2-yne","IUPAC Name Systematic":"Hex-2-yne","IUPAC Name Traditional":"Hex-2-yne",InChI:"1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3",InChIKey:"MELUCTCJOARQQG-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":82.078250322,"Molecular Formula":"C6H10","Molecular Weight":82.14,"Monoisotopic Mass":82.078250322,Charge:0,"Easy Name":"2-Hexyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C6H10"},33643:{PUBCHEM:{CID:"33643","Compound Complexity":7.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1-iodopropane","IUPAC Name CAS-like Style":"1-iodopropane","IUPAC Name Markup":"1-iodopropane","IUPAC Name Preferred":"1-iodopropane","IUPAC Name Systematic":"1-iodanylpropane","IUPAC Name Traditional":"1-iodopropane",InChI:"1S/C3H7I/c1-2-3-4/h2-3H2,1H3",InChIKey:"PVWOIHVRPOBWPI-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":169.95925,"Molecular Formula":"C3H7I","Molecular Weight":169.99,"Monoisotopic Mass":169.95925,Charge:0,"Easy Name":"N-Propyl iodide","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C3H7I1"},33649:{PUBCHEM:{CID:"33649","Compound Complexity":634,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"1-(3-hydroxy-4,7,7-trimethyl-norbornan-2-yl)-3-(p-tolylsulfonyl)urea","IUPAC Name CAS-like Style":"1-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-(4-methylphenyl)sulfonylurea","IUPAC Name Markup":"1-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-(4-methylphenyl)sulfonylurea","IUPAC Name Preferred":"1-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-(4-methylphenyl)sulfonylurea","IUPAC Name Systematic":"1-(4-methylphenyl)sulfonyl-3-(4,7,7-trimethyl-3-oxidanyl-2-bicyclo[2.2.1]heptanyl)urea","IUPAC Name Traditional":"1-(3-hydroxy-4,7,7-trimethyl-norbornan-2-yl)-3-tosyl-urea",InChI:"1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)",InChIKey:"RMTYNAPTNBJHQI-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":366.1613285,"Molecular Formula":"C18H26N2O4S","Molecular Weight":366.5,"Monoisotopic Mass":366.1613285,Charge:0,"Easy Name":"Glibornuride","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C18H26N2O4S1"},33701:{PUBCHEM:{CID:"33701","Compound Complexity":144,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"1-(5-hydroxy-4-methyl-tetrahydrofuran-3-yl)ethanone","IUPAC Name CAS-like Style":"1-(5-hydroxy-4-methyl-3-oxolanyl)ethanone","IUPAC Name Markup":"1-(5-hydroxy-4-methyloxolan-3-yl)ethanone","IUPAC Name Preferred":"1-(5-hydroxy-4-methyloxolan-3-yl)ethanone","IUPAC Name Systematic":"1-(4-methyl-5-oxidanyl-oxolan-3-yl)ethanone","IUPAC Name Traditional":"1-(5-hydroxy-4-methyl-tetrahydrofuran-3-yl)ethanone",InChI:"1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4,6-7,9H,3H2,1-2H3",InChIKey:"CLYSZQBIUYRLNX-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":144.07864425,"Molecular Formula":"C7H12O3","Molecular Weight":144.17,"Monoisotopic Mass":144.07864425,Charge:0,"Easy Name":"Botryodiplodin","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H12O3"},33865:{PUBCHEM:{CID:"33865","Compound Complexity":99.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":10,"IUPAC Name Allowed":"11-methyldodecan-1-ol","IUPAC Name CAS-like Style":"11-methyl-1-dodecanol","IUPAC Name Markup":"11-methyldodecan-1-ol","IUPAC Name Preferred":"11-methyldodecan-1-ol","IUPAC Name Systematic":"11-methyldodecan-1-ol","IUPAC Name Traditional":"11-methyldodecan-1-ol",InChI:"1S/C13H28O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3",InChIKey:"XUJLWPFSUCHPQL-UHFFFAOYSA-N","Log P":5.4,"Exact Mass":200.21401552,"Molecular Formula":"C13H28O","Molecular Weight":200.36,"Monoisotopic Mass":200.21401552,Charge:0,"Easy Name":"Isotridecanol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C13H28O1"},34007:{PUBCHEM:{CID:"34007","Compound Complexity":64.2,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxovanadium(2+);sulfate","IUPAC Name CAS-like Style":"Oxovanadium(2+);sulfate","IUPAC Name Markup":"Oxovanadium(2+);sulfate","IUPAC Name Preferred":"Oxovanadium(2+);sulfate","IUPAC Name Systematic":"Oxidanylidenevanadium(2+);sulfate","IUPAC Name Traditional":"Ketovanadium(2+);sulfate",InChI:"1S/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2",InChIKey:"UUUGYDOQQLOJQA-UHFFFAOYSA-L","Exact Mass":162.890601,"Molecular Formula":"O5SV","Molecular Weight":163.01,"Monoisotopic Mass":162.890601,Charge:0,"Easy Name":"Vanadyl sulfate","Easy Category":"Inorganic matter"},HSDB:{"Hazards Summary":{Value:"The major hazards encountered in the use and handling of vanadyl sulfate stem from its toxicologic properties. Toxic primarily via inhalation and dermal contact, exposure to this blue, crystalline powder may occur from vanadium ore extraction, from its use as a mordant in dyeing and printing textiles, in the manufacture of colored glass, in pottery glaze, in aniline black, as a reducing agent, and from the cleaning of oil-fired boilers, combustion chambers, gas turbines, and firebrick linings. Effects from exposure may include headache, eye irritation, dermatitis, rhinitis, tracheitis, bronchitis, pulmonary edema, and peripheral vasoconstriction of lungs, spleen, kidneys, and intestines. Engineering controls should be used to limit vanadyl sulfate exposure. In activities and situations where over-exposure may occur, wear protective clothing to prevent skin contact, and a self-contained breathing apparatus. Safety showers and eyewash fountains should be located in areas where exposures are likely. If contact should occur, flush exposed skin and eyes with copious amounts of tepid water for at least 15 minutes. Remove contaminated clothing at the work site. While vanadyl sulfate does not ignite readily, it may burn with the production of irritating or poisonous gases (e.g., sulfur oxides). Also, containers may explode violently in the heat of a fire. For fires involving vanadyl sulfate, extinguish with dry chemical, CO2, Halon, water spray, fog, or standard foam. Fight fire from a maximum distance, and dike fire control water to prevent material from entering water sources and sewers. Vanadyl sulfate should be stored in tightly closed containers (e.g., glass bottles or kegs), away from moisture, heat, sparks, or flames. Large spills of vanadyl sulfate on land should be contained in pits or other holding areas (liquid solutions diked to prevent runoff; solids covered with a plastic sheet). Small spills should be placed in a covered container (liquid solutions first taken up with sand or a noncombustible absorbent), and placed into containers for later disposal. Large spills in water should be neutralized with agricultural lime, crushed limestone, or sodium bicarbonate, and allowed to aerate."},Solubility:{Value:"Soluble in water"},Uses:{Value:"Vanadyl sulfate is apparently used by some weight-training athletes in an attempt to improve performance, as it has been claimed to lower blood cholesterol levels."}},ReducedFormula:"O5S1V1"},34072:{PUBCHEM:{CID:"34072","Compound Complexity":66.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2,4-dimethylpentanal","IUPAC Name CAS-like Style":"2,4-dimethylpentanal","IUPAC Name Markup":"2,4-dimethylpentanal","IUPAC Name Preferred":"2,4-dimethylpentanal","IUPAC Name Systematic":"2,4-dimethylpentanal","IUPAC Name Traditional":"2,4-dimethylvaleraldehyde",InChI:"1S/C7H14O/c1-6(2)4-7(3)5-8/h5-7H,4H2,1-3H3",InChIKey:"GPTMCJMLSOIYGU-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":114.10446507,"Molecular Formula":"C7H14O","Molecular Weight":114.19,"Monoisotopic Mass":114.10446507,Charge:0,"Easy Name":"2, 4-dimethylpentanal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C7H14O1"},34177:{PUBCHEM:{CID:"34177","Compound Complexity":97.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2,5-dibromophenol","IUPAC Name CAS-like Style":"2,5-dibromophenol","IUPAC Name Markup":"2,5-dibromophenol","IUPAC Name Preferred":"2,5-dibromophenol","IUPAC Name Systematic":"2,5-bis(bromanyl)phenol","IUPAC Name Traditional":"2,5-dibromophenol",InChI:"1S/C6H4Br2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H",InChIKey:"GUXWVUVLXIJHQF-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":251.86084,"Molecular Formula":"C6H4Br2O","Molecular Weight":251.9,"Monoisotopic Mass":249.86289,Charge:0,"Easy Name":"2, 5-Dibromophenol","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C6H4O1"},34264:{PUBCHEM:{CID:"34264","Compound Complexity":97.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2,3-dibromophenol","IUPAC Name CAS-like Style":"2,3-dibromophenol","IUPAC Name Markup":"2,3-dibromophenol","IUPAC Name Preferred":"2,3-dibromophenol","IUPAC Name Systematic":"2,3-bis(bromanyl)phenol","IUPAC Name Traditional":"2,3-dibromophenol",InChI:"1S/C6H4Br2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H",InChIKey:"FNAKEOXYWBWIRT-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":251.86084,"Molecular Formula":"C6H4Br2O","Molecular Weight":251.9,"Monoisotopic Mass":249.86289,Charge:0,"Easy Name":"2, 3-Dibromophenol","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C6H4O1"},34526:{PUBCHEM:{CID:"34526","Compound Complexity":310,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methyl-pyrimidin-2-amine","IUPAC Name CAS-like Style":"4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methyl-2-pyrimidinamine","IUPAC Name Markup":"4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine","IUPAC Name Preferred":"4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine","IUPAC Name Systematic":"4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methyl-pyrimidin-2-amine","IUPAC Name Traditional":"(4-dimethoxythiophosphoryloxy-6-methyl-pyrimidin-2-yl)-diethyl-amine",InChI:"1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3",InChIKey:"QHOQHJPRIBSPCY-UHFFFAOYSA-N","Log P":4.2,"Exact Mass":305.09629969,"Molecular Formula":"C11H20N3O3PS","Molecular Weight":305.34,"Monoisotopic Mass":305.09629969,Charge:0,"Easy Name":"Pirimiphos-methyl","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"Decomposes on distillation"},"Color And Form":{Value:"Straw-colored liquid"},Density:{Value:"1.17 at 20 °C"},"Refractive Index":{Value:"Index of refraction: 1.527 at 25 °C/D"},Solubility:{Value:"In water (mg/L at 20 °C): 11 (pH 5); 10 (pH 7); 9.7 (pH 9)"},Uses:{Value:"For pirimiphos-methyl (USEPA/OPP Pesticide Code: 108102) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2 mPa (1.50X10-5 mg Hg) at 20 °C; 6.9 mPa (5.17X10-5 mm Hg)) at 30 °C"}},ReducedFormula:"C11H20N3O3P1S1"},36336:{PUBCHEM:{CID:"36336","Compound Complexity":86.2,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4,7,10,13-pentaoxacyclopentadecane","IUPAC Name CAS-like Style":"1,4,7,10,13-pentaoxacyclopentadecane","IUPAC Name Markup":"1,4,7,10,13-pentaoxacyclopentadecane","IUPAC Name Preferred":"1,4,7,10,13-pentaoxacyclopentadecane","IUPAC Name Systematic":"1,4,7,10,13-pentaoxacyclopentadecane","IUPAC Name Traditional":"15-crown-5",InChI:"1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2",InChIKey:"VFTFKUDGYRBSAL-UHFFFAOYSA-N","Log P":-.5,"Exact Mass":220.13107374,"Molecular Formula":"C10H20O5","Molecular Weight":220.26,"Monoisotopic Mass":220.13107374,Charge:0,"Easy Name":"15-crown-5","Easy Category":"Crown ether"},HSDB:{},ReducedFormula:"C10H20O5"},36906:{PUBCHEM:{CID:"36906","Compound Complexity":210,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"1-(5-methoxy-1H-indol-3-yl)propan-2-amine","IUPAC Name CAS-like Style":"1-(5-methoxy-1H-indol-3-yl)-2-propanamine","IUPAC Name Markup":"1-(5-methoxy-1H-indol-3-yl)propan-2-amine","IUPAC Name Preferred":"1-(5-methoxy-1H-indol-3-yl)propan-2-amine","IUPAC Name Systematic":"1-(5-methoxy-1H-indol-3-yl)propan-2-amine","IUPAC Name Traditional":"[2-(5-methoxy-1H-indol-3-yl)-1-methyl-ethyl]amine",InChI:"1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3",InChIKey:"OGNJZVNNKBZFRM-UHFFFAOYSA-N","Log P":1,"Exact Mass":204.12626314,"Molecular Formula":"C12H16N2O","Molecular Weight":204.27,"Monoisotopic Mass":204.12626314,Charge:0,"Easy Name":"5-MeO-αMT","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C12H16N2O1"},36940:{PUBCHEM:{CID:"36940","Compound Complexity":33,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;ethanethioate","IUPAC Name CAS-like Style":"Sodium;ethanethioate","IUPAC Name Markup":"Sodium;ethanethioate","IUPAC Name Preferred":"Sodium;ethanethioate","IUPAC Name Systematic":"Sodium;ethanethioate","IUPAC Name Traditional":"Sodium;thioacetate",InChI:"1S/C2H4OS.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",InChIKey:"RBBWNXJFTBCLKT-UHFFFAOYSA-M","Exact Mass":97.98023017,"Molecular Formula":"C2H3NaOS","Molecular Weight":98.1,"Monoisotopic Mass":97.98023017,Charge:0,"Easy Name":"Sodium thioacetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2H3Na1O1S1"},37123:{PUBCHEM:{CID:"37123","Compound Complexity":379,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"N-[(4-chlorophenyl)carbamoyl]-2,6-difluoro-benzamide","IUPAC Name CAS-like Style":"N-[(4-chloroanilino)-oxomethyl]-2,6-difluorobenzamide","IUPAC Name Markup":"N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide","IUPAC Name Preferred":"N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide","IUPAC Name Systematic":"N-[(4-chlorophenyl)carbamoyl]-2,6-bis(fluoranyl)benzamide","IUPAC Name Traditional":"N-[(4-chlorophenyl)carbamoyl]-2,6-difluoro-benzamide",InChI:"1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)",InChIKey:"QQQYTWIFVNKMRW-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":310.0320616,"Molecular Formula":"C14H9ClF2N2O2","Molecular Weight":310.68,"Monoisotopic Mass":310.0320616,Charge:0,"Easy Name":"Diflubenzuron","Easy Category":"Insecticide"},HSDB:{"Color And Form":{Value:"Colorless crystals"},Density:{Value:"1.57 at 20 °C"},"Melting Point":{Value:"228 °C"},Solubility:{Value:"In water, 0.08 mg/L at 25 °C. pH 7"},Uses:{Value:"For diflubenzuron (USEPA/OPP Pesticide Code: 108201) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"9X10-10 mm Hg at 25 °C /gas saturation method/"}},ReducedFormula:"C14Cl1F2H9N2O2"},37165:{PUBCHEM:{CID:"37165","Compound Complexity":548,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":6,"Rotatable Bond":3,"IUPAC Name Allowed":"[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","IUPAC Name CAS-like Style":"Carbamic acid [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl ester","IUPAC Name Markup":"[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","IUPAC Name Preferred":"[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","IUPAC Name Systematic":"[(3aS,4R,10aS)-2,6-bis(azanyl)-10,10-bis(oxidanyl)-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate","IUPAC Name Traditional":"Carbamic acid [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl ester",InChI:"1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1",InChIKey:"RPQXVSUAYFXFJA-HGRQIUPRSA-N","Log P":-4.6,"Exact Mass":299.13420206,"Molecular Formula":"C10H17N7O4","Molecular Weight":299.29,"Monoisotopic Mass":299.13420206,Charge:0,"Easy Name":"Saxitoxin","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C10H17N7O4"},37175:{PUBCHEM:{CID:"37175","Compound Complexity":291,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"1-[2-allyloxy-2-(2,4-dichlorophenyl)ethyl]imidazole","IUPAC Name CAS-like Style":"1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole","IUPAC Name Markup":"1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole","IUPAC Name Preferred":"1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole","IUPAC Name Systematic":"1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxy-ethyl]imidazole","IUPAC Name Traditional":"1-[2-allyloxy-2-(2,4-dichlorophenyl)ethyl]imidazole",InChI:"1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2",InChIKey:"PZBPKYOVPCNPJY-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":296.0483185,"Molecular Formula":"C14H14Cl2N2O","Molecular Weight":297.2,"Monoisotopic Mass":296.0483185,Charge:0,"Easy Name":"Enilconazole","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"347 °C"},"Color And Form":{Value:"Slightly yellow to brown crystalline mass."},Density:{Value:"1.348 g/ml at 26 °C"},"Melting Point":{Value:"52.7 °C"},"Refractive Index":{Value:"Index of refraction = 1.5643 at 20 °C/D"},Solubility:{Value:"In acetone, dichloromethane, ethanol, methanol, isopropanol, xylene, toluene, benzene > 500g/L at 20 °C. In hexane 19 g/L at 20 °C. Also soluble in heptane and petroleum ether."},Uses:{Value:"For Imazalil (USEPA/OPP Pesticide Code: 111901) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.2X10-6 mm Hg at 20 °C"}},ReducedFormula:"C14Cl2H14N2O1"},37715:{PUBCHEM:{CID:"37715","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachlorohafnium","IUPAC Name CAS-like Style":"Tetrachlorohafnium","IUPAC Name Markup":"Tetrachlorohafnium","IUPAC Name Preferred":"Tetrachlorohafnium","IUPAC Name Systematic":"Tetrakis(chloranyl)hafnium","IUPAC Name Traditional":"Tetrachlorohafnium",InChI:"1S/4ClH.Hf/h4*1H;/q;;;;+4/p-4",InChIKey:"PDPJQWYGJJBYLF-UHFFFAOYSA-J","Exact Mass":321.81902,"Molecular Formula":"Cl4Hf","Molecular Weight":320.3,"Monoisotopic Mass":319.82197,Charge:0,"Easy Name":"Hafnium tetrachloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl4Hf1"},38258:{PUBCHEM:{CID:"38258","Compound Complexity":627,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":8,"Rotatable Bond":6,"IUPAC Name Allowed":"1-[3-(hydroxymethyl)-2,5-dioxo-imidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-dioxo-imidazolidin-4-yl]carbamoylamino]methyl]urea","IUPAC Name CAS-like Style":"1-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-3-[[[[[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]amino]-oxomethyl]amino]methyl]urea","IUPAC Name Markup":"1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoylamino]methyl]urea","IUPAC Name Preferred":"1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoylamino]methyl]urea","IUPAC Name Systematic":"1-[3-(hydroxymethyl)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-bis(oxidanylidene)imidazolidin-4-yl]carbamoylamino]methyl]urea","IUPAC Name Traditional":"1-(2,5-diketo-3-methylol-imidazolidin-4-yl)-3-[[(2,5-diketo-3-methylol-imidazolidin-4-yl)carbamoylamino]methyl]urea",InChI:"1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)",InChIKey:"ZCTXEAQXZGPWFG-UHFFFAOYSA-N","Log P":-3.4,"Exact Mass":388.10910951,"Molecular Formula":"C11H16N8O8","Molecular Weight":388.29,"Monoisotopic Mass":388.10910951,Charge:0,"Easy Name":"Imidazolidinyl urea","Easy Category":"Ureas"},HSDB:{},ReducedFormula:"C11H16N8O8"},38479:{PUBCHEM:{CID:"38479","Compound Complexity":349,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline","IUPAC Name CAS-like Style":"3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline","IUPAC Name Markup":"3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline","IUPAC Name Preferred":"3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline","IUPAC Name Systematic":"3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline","IUPAC Name Traditional":"(3,4-dimethyl-2,6-dinitro-phenyl)-(1-ethylpropyl)amine",InChI:"1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3",InChIKey:"CHIFOSRWCNZCFN-UHFFFAOYSA-N","Log P":5.2,"Exact Mass":281.1375561,"Molecular Formula":"C13H19N3O4","Molecular Weight":281.31,"Monoisotopic Mass":281.1375561,Charge:0,"Easy Name":"Pendimethalin","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"Decomposes on distillation"},"Color And Form":{Value:"Orange-yellow crystal solid"},Density:{Value:"1.19 at 25 °C"},"Melting Point":{Value:"56-57 °C"},Odor:{Value:"Faint, nutty odor"},Solubility:{Value:"Soluble in most organic solvents"},Uses:{Value:"For pendimethalin (USEPA/OPP Pesticide Code: 108501) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"9.4X10-6 mm Hg at 25 °C"}},ReducedFormula:"C13H19N3O4"},38853:{PUBCHEM:{CID:"38853","Compound Complexity":246,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid","IUPAC Name Markup":"(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid","IUPAC Name Preferred":"(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoic acid","IUPAC Name Traditional":"(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propionic acid",InChI:"1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1",InChIKey:"CJCSPKMFHVPWAR-JTQLQIEISA-N","Log P":-1.9,"Exact Mass":211.0844579,"Molecular Formula":"C10H13NO4","Molecular Weight":211.21,"Monoisotopic Mass":211.0844579,Charge:0,"Easy Name":"Methyldopa","Easy Category":"Amino acids"},HSDB:{"Color And Form":{Value:"Minute, anhyd crystals from methanol"},Odor:{Value:"ODORLESS"},pH:{Value:"pH of saturated aq soln about 5.0"},Solubility:{Value:"In water @ 25 °C: about 10 mg/ml; practically insol in common org solvents; sol in dil mineral acids"},Taste:{Value:"ALMOST TASTELESS"},Uses:{Value:"MEDICATION"}},ReducedFormula:"C10H13N1O4"},38854:{PUBCHEM:{CID:"38854","Compound Complexity":328,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one","IUPAC Name CAS-like Style":"4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one","IUPAC Name Markup":"4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one","IUPAC Name Preferred":"4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one","IUPAC Name Systematic":"4-azanyl-3-methyl-6-phenyl-1,2,4-triazin-5-one","IUPAC Name Traditional":"4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one",InChI:"1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3",InChIKey:"VHCNQEUWZYOAEV-UHFFFAOYSA-N","Log P":.7,"Exact Mass":202.08546096,"Molecular Formula":"C10H10N4O","Molecular Weight":202.21,"Monoisotopic Mass":202.08546096,Charge:0,"Easy Name":"Metamiton","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C10H10N4O1"},39145:{PUBCHEM:{CID:"39145","Compound Complexity":51.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2-methylhex-3-ene","IUPAC Name CAS-like Style":"2-methyl-3-hexene","IUPAC Name Markup":"2-methylhex-3-ene","IUPAC Name Preferred":"2-methylhex-3-ene","IUPAC Name Systematic":"2-methylhex-3-ene","IUPAC Name Traditional":"2-methylhex-3-ene",InChI:"1S/C7H14/c1-4-5-6-7(2)3/h5-7H,4H2,1-3H3",InChIKey:"IQANHWBWTVLDTP-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"2-methyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},39186:{PUBCHEM:{CID:"39186","Compound Complexity":565,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester","IUPAC Name Markup":"[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate","IUPAC Name Preferred":"[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate","IUPAC Name Systematic":"[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(2S,3S)-5-[2-(dimethylamino)ethyl]-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester",InChI:"1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1",InChIKey:"HSUGRBWQSSZJOP-RTWAWAEBSA-N","Log P":3.1,"Exact Mass":414.1613285,"Molecular Formula":"C22H26N2O4S","Molecular Weight":414.5,"Monoisotopic Mass":414.1613285,Charge:0,"Easy Name":"Diltiazem","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"Decomposes"},"Color And Form":{Value:"White crystalline powder"},"Melting Point":{Value:"212 °C (decomposes)"},Solubility:{Value:"Soluble in methanol or chloroform"},Uses:{Value:"Medication"}},ReducedFormula:"C22H26N2O4S1"},39327:{PUBCHEM:{CID:"39327","Compound Complexity":432,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2-chloro-1-(3-ethoxy-4-nitro-phenoxy)-4-(trifluoromethyl)benzene","IUPAC Name CAS-like Style":"2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene","IUPAC Name Markup":"2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene","IUPAC Name Preferred":"2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene","IUPAC Name Systematic":"2-chloranyl-1-(3-ethoxy-4-nitro-phenoxy)-4-(trifluoromethyl)benzene","IUPAC Name Traditional":"2-chloro-1-(3-ethoxy-4-nitro-phenoxy)-4-(trifluoromethyl)benzene",InChI:"1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3",InChIKey:"OQMBBFQZGJFLBU-UHFFFAOYSA-N","Log P":4.7,"Exact Mass":361.03287,"Molecular Formula":"C15H11ClF3NO4","Molecular Weight":361.7,"Monoisotopic Mass":361.03287,Charge:0,"Easy Name":"Oxyfluorofen","Easy Category":"Nitro compound"},HSDB:{"Boiling Point":{Value:"358.2 °C"},"Color And Form":{Value:"Orange crystalline solid at room temperature"},Density:{Value:"1.49 g/L"},"Melting Point":{Value:"85-90 °C (tech., 65-84 °C)"},Solubility:{Value:"Readily soluble in most organic solvents, e.g. acetone 72.5, cyclohexanone, isophorone 61.5, dimethylformamide >50, chloroform 50-55, mesityl oxide 40-50 (all in g/100 g, 25 °C)"},Uses:{Value:"For oxyfluorfen (USEPA/OPP Pesticide Code: 111601) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2X10-7 mm Hg at 25 °C"}},ReducedFormula:"C15Cl1F3H11N1O4"},39722:{PUBCHEM:{CID:"39722","Compound Complexity":238,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide","IUPAC Name CAS-like Style":"2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide","IUPAC Name Markup":"2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide","IUPAC Name Preferred":"2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide","IUPAC Name Systematic":"2-chloranyl-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)ethanamide","IUPAC Name Traditional":"2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide",InChI:"1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3",InChIKey:"SCCDDNKJYDZXMM-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":255.1026065,"Molecular Formula":"C13H18ClNO2","Molecular Weight":255.74,"Monoisotopic Mass":255.1026065,Charge:0,"Easy Name":"Dimethachlor","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C13Cl1H18N1O2"},40024:{PUBCHEM:{CID:"40024","Compound Complexity":558,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one","IUPAC Name CAS-like Style":"(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]one","IUPAC Name Markup":"(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one","IUPAC Name Preferred":"(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one","IUPAC Name Systematic":"(1R,2R,3S,7R,9R,10R,12S)-2-(hydroxymethyl)-1,5-dimethyl-3,10-bis(oxidanyl)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one","IUPAC Name Traditional":"(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-1,5-dimethyl-2-methylol-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one",InChI:"1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1",InChIKey:"LINOMUASTDIRTM-QGRHZQQGSA-N","Log P":-.7,"Exact Mass":296.12598836,"Molecular Formula":"C15H20O6","Molecular Weight":296.31,"Monoisotopic Mass":296.12598836,Charge:0,"Easy Name":"Vomitoxin","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Fine needles from ethyl acetate + petroleum ether"},"Melting Point":{Value:"151-153 °C"},Solubility:{Value:"In water, 5.5X10+4 mg/L at 25 °C (est)"},Uses:{Value:"During the late 1970s and early 1980s, there was use in northern Thailand, Kampuchea /Cambodia/, and Laos as chemical warfare agents by Russian troops. /Trichothecenes/"},"Vapor Pressure":{Value:"6.8X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H20O6"},40087:{PUBCHEM:{CID:"40087","Compound Complexity":220,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"1-phenyl-3-(thiadiazol-5-yl)urea","IUPAC Name CAS-like Style":"1-phenyl-3-(5-thiadiazolyl)urea","IUPAC Name Markup":"1-phenyl-3-(thiadiazol-5-yl)urea","IUPAC Name Preferred":"1-phenyl-3-(thiadiazol-5-yl)urea","IUPAC Name Systematic":"1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea","IUPAC Name Traditional":"1-phenyl-3-(thiadiazol-5-yl)urea",InChI:"1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)",InChIKey:"HFCYZXMHUIHAQI-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":220.04188207,"Molecular Formula":"C9H8N4OS","Molecular Weight":220.25,"Monoisotopic Mass":220.04188207,Charge:0,"Easy Name":"Thidiazuron","Easy Category":"Ureas"},HSDB:{"Color And Form":{Value:"Colorless crystals"},"Melting Point":{Value:"210.5 - 212.5 °C (decomposes)"},Odor:{Value:"Odorless"},pH:{Value:"pH = 6.50 at 20 °C"},Solubility:{Value:">500 g/L in dimethyl sulfoxide; > 500 g/L in dimethylformamide; 21.5 g/L in cyclohexane; 4.5 g/L in methanol; 8 g/L in acetone"},Uses:{Value:"For thidiazuron (USEPA/OPP Pesticide Code: 120301) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.30X10-11 mmHg at 25 °C"}},ReducedFormula:"C9H8N4O1S1"},40326:{PUBCHEM:{CID:"40326","Compound Complexity":521,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"(3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylate","IUPAC Name CAS-like Style":"3-(2,2-dichloroethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester","IUPAC Name Markup":"(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Preferred":"(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Systematic":"(3-phenoxyphenyl)methyl 3-[2,2-bis(chloranyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate","IUPAC Name Traditional":"3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenoxybenzyl) ester",InChI:"1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",InChIKey:"RLLPVAHGXHCWKJ-UHFFFAOYSA-N","Log P":6.5,"Exact Mass":390.0789499,"Molecular Formula":"C21H20Cl2O3","Molecular Weight":391.3,"Monoisotopic Mass":390.0789499,Charge:0,"Easy Name":"Permethrin","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:">290 °C at 760 mm Hg"},"Color And Form":{Value:"Colorless crystals to a viscous liquid; Color, white to pale yellow"},Density:{Value:"1.19 - 1.27 at 20 °C"},"Melting Point":{Value:"<20 °C (OECD Method 102)"},Solubility:{Value:"In water, 0.0111 mg/L at 20 °C, pH 7.0-9.3 (OECD Method 105)"},Uses:{Value:"For permethrin (USEPA/OPP Pesticide Code: 109701) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"5.18X10-8 mm Hg at 25 °C (OECD Method 104)"}},ReducedFormula:"C21Cl2H20O3"},40585:{PUBCHEM:{CID:"40585","Compound Complexity":643,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropanecarboxylate","IUPAC Name CAS-like Style":"(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester","IUPAC Name Markup":"[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Preferred":"[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Systematic":"[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-[2,2-bis(bromanyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate","IUPAC Name Traditional":"(1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropanecarboxylic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester",InChI:"1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1",InChIKey:"OWZREIFADZCYQD-NSHGMRRFSA-N","Log P":6.2,"Exact Mass":504.97112,"Molecular Formula":"C22H19Br2NO3","Molecular Weight":505.2,"Monoisotopic Mass":502.97317,Charge:0,"Easy Name":"Deltamethrin","Easy Category":"Insecticide"},HSDB:{"Color And Form":{Value:"Crystals"},"Melting Point":{Value:"90 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Solubility; in cyclohexanone 750, dichloromethane 700, acetone 500, benzene 450, dimethyl sulphoxide 450, xylene 250, isopropanol 6 (all in g/L at 20 °C)"},Uses:{Value:"For Deltamethrin (USEPA/OPP Pesticide Code: 097805) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"9.3X10-11 mm Hg at 25 °C"}},ReducedFormula:"Br2C22H19N1O3"},43234:{PUBCHEM:{CID:"43234","Compound Complexity":377,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name CAS-like Style":"1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name Markup":"1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name Preferred":"1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name Systematic":"1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name Traditional":"1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole",InChI:"1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3",InChIKey:"STJLVHWMYQXCPB-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":341.0697822,"Molecular Formula":"C15H17Cl2N3O2","Molecular Weight":342.2,"Monoisotopic Mass":341.0697822,Charge:0,"Easy Name":"Propiconazole","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:"180 °C at 0.1 mm Hg"},"Color And Form":{Value:"Yellowish, viscous liquid"},Odor:{Value:"Practically odorless"},Solubility:{Value:"47 g/L in n-hexane; completely miscible with ethanol, acetone, toluene, and octanol."},Uses:{Value:"For Propiconazole (USEPA/OPP Pesticide Code: 122101) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1X10-6 mm Hg at 25 °C"}},ReducedFormula:"C15Cl2H17N3O2"},47275:{PUBCHEM:{CID:"47275","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisodium;arsorate","IUPAC Name CAS-like Style":"Trisodium;arsorate","IUPAC Name Markup":"Trisodium;arsorate","IUPAC Name Preferred":"Trisodium;arsorate","IUPAC Name Systematic":"Trisodium;arsorate","IUPAC Name Traditional":"Trisodium;arsorate",InChI:"1S/AsH3O4.3Na/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;/q;3*+1/p-3",InChIKey:"CDBAKLRDFBGJOX-UHFFFAOYSA-K","Exact Mass":207.870561,"Molecular Formula":"AsNa3O4","Molecular Weight":207.889,"Monoisotopic Mass":207.870561,Charge:0,"Easy Name":"Sodium arsenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"As1Na3O4"},49384:{PUBCHEM:{CID:"49384","Compound Complexity":303,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide","IUPAC Name CAS-like Style":"2-chloro-N-(2,6-dimethylphenyl)-N-(1-pyrazolylmethyl)acetamide","IUPAC Name Markup":"2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide","IUPAC Name Preferred":"2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide","IUPAC Name Systematic":"2-chloranyl-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)ethanamide","IUPAC Name Traditional":"2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide",InChI:"1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3",InChIKey:"STEPQTYSZVCJPV-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":277.0981898,"Molecular Formula":"C14H16ClN3O","Molecular Weight":277.75,"Monoisotopic Mass":277.0981898,Charge:0,"Easy Name":"Metazachlor","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C14Cl1H16N3O1"},49756:{PUBCHEM:{CID:"49756","Compound Complexity":244,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethyl-ethanamine","IUPAC Name CAS-like Style":"2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine","IUPAC Name Markup":"2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine","IUPAC Name Preferred":"2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine","IUPAC Name Systematic":"2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethyl-ethanamine","IUPAC Name Traditional":"2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl-dimethyl-amine",InChI:"1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3",InChIKey:"ACEHBQPPDDGCGZ-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":232.15756327,"Molecular Formula":"C14H20N2O","Molecular Weight":232.32,"Monoisotopic Mass":232.15756327,Charge:0,"Easy Name":"5-MeO-2-TMT","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C14H20N2O1"},50200:{PUBCHEM:{CID:"50200","Compound Complexity":714,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde","IUPAC Name CAS-like Style":"4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methyl-1-oxobut-2-enyl)-6-oxo-10-benzo[b][1,4]benzodioxepincarboxaldehyde","IUPAC Name Markup":"4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde","IUPAC Name Preferred":"4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde","IUPAC Name Systematic":"3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-4,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-10-carbaldehyde","IUPAC Name Traditional":"4,9-dihydroxy-6-keto-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)benzo[b][1,4]benzodioxepin-10-carbaldehyde",InChI:"1S/C22H20O8/c1-9(2)6-14(25)16-11(4)18-21(17(26)20(16)28-5)30-22(27)15-10(3)7-13(24)12(8-23)19(15)29-18/h6-8,24,26H,1-5H3",InChIKey:"RPSLZGPKLQLZGH-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":412.1158176,"Molecular Formula":"C22H20O8","Molecular Weight":412.4,"Monoisotopic Mass":412.1158176,Charge:0,"Easy Name":"Mollicellin C","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C22H20O8"},50367:{PUBCHEM:{CID:"50367","Compound Complexity":408,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one","IUPAC Name CAS-like Style":"2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one","IUPAC Name Markup":"2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one","IUPAC Name Preferred":"2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one","IUPAC Name Systematic":"2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one","IUPAC Name Traditional":"2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one",InChI:"1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3",InChIKey:"PRLVTUNWOQKEAI-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":305.15618355,"Molecular Formula":"C16H23N3OS","Molecular Weight":305.4,"Monoisotopic Mass":305.15618355,Charge:0,"Easy Name":"2-tert-butylimino-5-phenyl-3-propan-2-yl-1, 3, 5-thiadiazinan-4-one","Easy Category":"Insecticide"},HSDB:{"Boiling Point":{Value:"267.6 °C"},"Color And Form":{Value:"Crystals from isopropyl alcohol"},Density:{Value:"1.18 at 20 °C"},"Melting Point":{Value:"106.1 °C"},Solubility:{Value:"In water, 0.9 mg/L at 25 °C"},Uses:{Value:"For buprofezin (USEPA/OPP Pesticide Code: 275100) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"9.4X10-6 mm Hg at 25 °C"}},ReducedFormula:"C16H23N3O1S1"},50896:{PUBCHEM:{CID:"50896","Compound Complexity":444,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"Methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propanoate","IUPAC Name CAS-like Style":"2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid methyl ester","IUPAC Name Markup":"Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate","IUPAC Name Preferred":"Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate","IUPAC Name Systematic":"Methyl 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate","IUPAC Name Traditional":"2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propionic acid methyl ester",InChI:"1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3",InChIKey:"MFSWTRQUCLNFOM-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":375.0485201,"Molecular Formula":"C16H13ClF3NO4","Molecular Weight":375.72,"Monoisotopic Mass":375.0485201,Charge:0,"Easy Name":"Haloxyfop-P-methyl","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C16Cl1F3H13N1O4"},50918:{PUBCHEM:{CID:"50918","Compound Complexity":166,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,3,6,7-tetrabromonaphthalene","IUPAC Name CAS-like Style":"2,3,6,7-tetrabromonaphthalene","IUPAC Name Markup":"2,3,6,7-tetrabromonaphthalene","IUPAC Name Preferred":"2,3,6,7-tetrabromonaphthalene","IUPAC Name Systematic":"2,3,6,7-tetrakis(bromanyl)naphthalene","IUPAC Name Traditional":"2,3,6,7-tetrabromonaphthalene",InChI:"1S/C10H4Br4/c11-7-1-5-2-9(13)10(14)4-6(5)3-8(7)12/h1-4H",InChIKey:"ZWEYMNHQUMTRGY-UHFFFAOYSA-N","Log P":5.9,"Exact Mass":443.70055,"Molecular Formula":"C10H4Br4","Molecular Weight":443.75,"Monoisotopic Mass":439.70465,Charge:0,"Easy Name":"2, 3, 6, 7-tetrabromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br4C10H4"},51556:{PUBCHEM:{CID:"51556","Compound Complexity":693,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-benzamide","IUPAC Name CAS-like Style":"5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide","IUPAC Name Markup":"5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide","IUPAC Name Preferred":"5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide","IUPAC Name Systematic":"5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-benzamide","IUPAC Name Traditional":"5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-mesyl-2-nitro-benzamide",InChI:"1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)",InChIKey:"BGZZWXTVIYUUEY-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":437.9900194,"Molecular Formula":"C15H10ClF3N2O6S","Molecular Weight":438.8,"Monoisotopic Mass":437.9900194,Charge:0,"Easy Name":"Fomesafen","Easy Category":"Herbicide"},HSDB:{"Color And Form":{Value:"White crystalline solid"},Density:{Value:"1.28 g/cu cm at 20 °C"},"Melting Point":{Value:"220 °C"},Solubility:{Value:"In water, 50 mg/L at 20 °C"},Uses:{Value:"For fomesafen sodium (USEPA/OPP Pesticide Code: 123802) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./ /Fomesafen sodium/"},"Vapor Pressure":{Value:"<4X10-3 mPa /<3.0X10-8 mm Hg/ at 20 °C"}},ReducedFormula:"C15Cl1F3H10N2O6S1"},51806:{PUBCHEM:{CID:"51806","Compound Complexity":44,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"3-ethylheptane","IUPAC Name CAS-like Style":"3-ethylheptane","IUPAC Name Markup":"3-ethylheptane","IUPAC Name Preferred":"3-ethylheptane","IUPAC Name Systematic":"3-ethylheptane","IUPAC Name Traditional":"3-ethylheptane",InChI:"1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3",InChIKey:"PSVQKOKKLWHNRP-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"3-Ethylheptane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},52999:{PUBCHEM:{CID:"52999","Compound Complexity":609,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"Methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate","IUPAC Name CAS-like Style":"2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester","IUPAC Name Markup":"Methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate","IUPAC Name Preferred":"Methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate","IUPAC Name Systematic":"Methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate","IUPAC Name Traditional":"2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester",InChI:"1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)",InChIKey:"RSMUVYRMZCOLBH-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":381.0743044,"Molecular Formula":"C14H15N5O6S","Molecular Weight":381.37,"Monoisotopic Mass":381.0743044,Charge:0,"Easy Name":"Metsulfuron-methyl","Easy Category":"Herbicide"},HSDB:{"Color And Form":{Value:"White crytals"},"Melting Point":{Value:"163 °C"},Odor:{Value:"Faint, sweet, ester-like"},Solubility:{Value:"Solubility (mg/L at 25 °C): hexane 5.84X10-1, ethyl acetate 1.11X10+4, methanol 7.63X10+3, acetone 3.7X10+4, dichloromethane 1.32X10+5, toluene 1.24X10+3."},Uses:{Value:"For metsulfuron-methyl (USEPA/OPP Pesticide Code: 122010) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.5X10-12 mm Hg at 25 °C"}},ReducedFormula:"C14H15N5O6S1"},53288:{PUBCHEM:{CID:"53288","Compound Complexity":234,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3,4,6,7-hexabromonaphthalene","IUPAC Name CAS-like Style":"1,2,3,4,6,7-hexabromonaphthalene","IUPAC Name Markup":"1,2,3,4,6,7-hexabromonaphthalene","IUPAC Name Preferred":"1,2,3,4,6,7-hexabromonaphthalene","IUPAC Name Systematic":"1,2,3,4,6,7-hexakis(bromanyl)naphthalene","IUPAC Name Traditional":"1,2,3,4,6,7-hexabromonaphthalene",InChI:"1S/C10H2Br6/c11-5-1-3-4(2-6(5)12)8(14)10(16)9(15)7(3)13/h1-2H",InChIKey:"GTFBYYPAXJKCMP-UHFFFAOYSA-N","Log P":7.3,"Exact Mass":601.51953,"Molecular Formula":"C10H2Br6","Molecular Weight":601.5,"Monoisotopic Mass":595.52568,Charge:0,"Easy Name":"1, 2, 3, 4, 6, 7-hexabromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br6C10H2"},54738:{PUBCHEM:{CID:"54738","Compound Complexity":433,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid","IUPAC Name CAS-like Style":"2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid","IUPAC Name Markup":"2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid","IUPAC Name Preferred":"2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid","IUPAC Name Systematic":"2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid","IUPAC Name Traditional":"2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid",InChI:"1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)",InChIKey:"CLQMBPJKHLGMQK-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":261.11134136,"Molecular Formula":"C13H15N3O3","Molecular Weight":261.28,"Monoisotopic Mass":261.11134136,Charge:0,"Easy Name":"2- (4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic","Easy Category":"Herbicide"},HSDB:{"Color And Form":{Value:"Clear, slightly viscous, pale yellow to dark green aqueous liquid"},Density:{Value:"0.34 g/mL"},"Melting Point":{Value:"171 °C"},Odor:{Value:"Slight ammonical odor"},Solubility:{Value:"In acetone 3.39, dimethyl sulfoxide 47.1, hexane 0.00095, methanol 10.5, dichloromethane 8.72, toluene 0.180 (25 °C, all in g/100 mL)"},Uses:{Value:"For imazapyr (USEPA/OPP Pesticide Code: 128821) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.79X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C13H15N3O3"},54778:{PUBCHEM:{CID:"54778","Compound Complexity":280,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2-[(2-chlorophenyl)methyl]-4,4-dimethyl-isoxazolidin-3-one","IUPAC Name CAS-like Style":"2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone","IUPAC Name Markup":"2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one","IUPAC Name Preferred":"2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one","IUPAC Name Systematic":"2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one","IUPAC Name Traditional":"2-(2-chlorobenzyl)-4,4-dimethyl-isoxazolidin-3-one",InChI:"1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3",InChIKey:"KIEDNEWSYUYDSN-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":239.0713064,"Molecular Formula":"C12H14ClNO2","Molecular Weight":239.7,"Monoisotopic Mass":239.0713064,Charge:0,"Easy Name":"2-[ (2-chlorophenyl)methyl]-4, 4-dimethyl-1, 2-oxazolidin-3-one","Easy Category":"Herbicide"},HSDB:{"Boiling Point":{Value:"275 °C"},"Color And Form":{Value:"Clear colorless to light brown viscous liquid"},Density:{Value:"1.192 at 25 °C"},"Melting Point":{Value:"25 °C"},Solubility:{Value:"Readily soluble in acetonitrile, hexane, dioxane, xylene"},Uses:{Value:"For dimethazone (USEPA/OPP Pesticide Code: 125401) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.4X10-4 mm Hg at 25 °C"}},ReducedFormula:"C12Cl1H14N1O2"},54960:{PUBCHEM:{CID:"54960","Compound Complexity":627,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":2,"Rotatable Bond":8,"IUPAC Name Allowed":"Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate","IUPAC Name CAS-like Style":"2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoylmethyl]benzoic acid methyl ester","IUPAC Name Markup":"Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate","IUPAC Name Preferred":"Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate","IUPAC Name Systematic":"Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate","IUPAC Name Traditional":"2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid methyl ester",InChI:"1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)",InChIKey:"XMQFTWRPUQYINF-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":410.08962011,"Molecular Formula":"C16H18N4O7S","Molecular Weight":410.4,"Monoisotopic Mass":410.08962011,Charge:0,"Easy Name":"Bensulfuron-methyl","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C16H18N4O7S1"},56052:{PUBCHEM:{CID:"56052","Compound Complexity":297,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol","IUPAC Name CAS-like Style":"4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol","IUPAC Name Markup":"4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol","IUPAC Name Preferred":"4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol","IUPAC Name Systematic":"4-[3-[[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]amino]butyl]phenol","IUPAC Name Traditional":"4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol",InChI:"1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3",InChIKey:"YJQZYXCXBBCEAQ-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":301.1677936,"Molecular Formula":"C18H23NO3","Molecular Weight":301.4,"Monoisotopic Mass":301.1677936,Charge:0,"Easy Name":"Ractopamine","Easy Category":"Phenethylamines"},HSDB:{Solubility:{Value:"In water, 4.1X10+3 mg/L at 25 °C (est)"},Uses:{Value:"Mesh Heading: Adrenergic beta-agonists"},"Vapor Pressure":{Value:"6.4X10-11 at 25 °C (est)"}},ReducedFormula:"C18H23N1O3"},60754:{PUBCHEM:{CID:"60754","Compound Complexity":527,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":3,"Rotatable Bond":13,"IUPAC Name Allowed":"2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxo-ethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrate","IUPAC Name CAS-like Style":"2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrate","IUPAC Name Markup":"2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrate","IUPAC Name Preferred":"2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrate","IUPAC Name Systematic":"2-[bis[2-[[2-(methylamino)-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate;gadolinium(3+);hydrate","IUPAC Name Traditional":"2-[bis[2-[carboxylatomethyl-[2-keto-2-(methylamino)ethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrate",InChI:"1S/C16H29N5O8.Gd.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;1H2/q;+3;/p-3",InChIKey:"XPCLDSMKWNNKOM-UHFFFAOYSA-K","Exact Mass":592.11281,"Molecular Formula":"C16H28GdN5O9","Molecular Weight":591.7,"Monoisotopic Mass":592.11281,Charge:0,"Easy Name":"Gadodiamide","Easy Category":"Pharmaceutical drug"},HSDB:{Solubility:{Value:"Freely soluble in water"},Uses:{Value:"Contrast Media"}},ReducedFormula:"C16Gd1H28N5O9"},60823:{PUBCHEM:{CID:"60823","Compound Complexity":822,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":12,"IUPAC Name Allowed":"(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid","IUPAC Name CAS-like Style":"(3R,5R)-7-[4-[anilino(oxo)methyl]-2-(4-fluorophenyl)-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid","IUPAC Name Markup":"(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid","IUPAC Name Preferred":"(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid","IUPAC Name Systematic":"(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoic acid","IUPAC Name Traditional":"(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-enanthic acid",InChI:"1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",InChIKey:"XUKUURHRXDUEBC-KAYWLYCHSA-N","Log P":5,"Exact Mass":558.2530004,"Molecular Formula":"C33H35FN2O5","Molecular Weight":558.6,"Monoisotopic Mass":558.2530004,Charge:0,"Easy Name":"Atorvastatin","Easy Category":"Amide"},HSDB:{Solubility:{Value:"In water, 1.12X10-3 mg/L at 25 °C (est)"},Uses:{Value:"MEDICATION"},"Vapor Density":{Value:"6.95X10-25 mm Hg at 25 °C (est)"}},ReducedFormula:"C33F1H35N2O5"},60846:{PUBCHEM:{CID:"60846","Compound Complexity":608,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid","IUPAC Name CAS-like Style":"(2S)-3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid","IUPAC Name Markup":"(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid","IUPAC Name Preferred":"(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid","IUPAC Name Systematic":"(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid","IUPAC Name Traditional":"(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-valeryl-amino]butyric acid",InChI:"1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1",InChIKey:"ACWBQPMHZXGDFX-QFIPXVFZSA-N","Log P":4.4,"Exact Mass":435.22703982,"Molecular Formula":"C24H29N5O3","Molecular Weight":435.5,"Monoisotopic Mass":435.22703982,Charge:0,"Easy Name":"Valsartan","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"White to practically white fine powder"},"Melting Point":{Value:"116-117 °C"},Solubility:{Value:"In water, 1.406 mg/L at 25 °C (est)"},Uses:{Value:"MEDICATION"},"Vapor Pressure":{Value:"8.18X10-16 mm Hg at 25 °C (est)"}},ReducedFormula:"C24H29N5O3"},60855:{PUBCHEM:{CID:"60855","Compound Complexity":518,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":7,"Rotatable Bond":6,"IUPAC Name Allowed":"(2R,3R,4S)-3-acetamido-4-guanidino-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid","IUPAC Name CAS-like Style":"(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid","IUPAC Name Markup":"(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid","IUPAC Name Preferred":"(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid","IUPAC Name Systematic":"(2R,3R,4S)-3-acetamido-4-[bis(azanyl)methylideneamino]-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid","IUPAC Name Traditional":"(2R,3R,4S)-3-acetamido-4-guanidino-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid",InChI:"1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1",InChIKey:"ARAIBEBZBOPLMB-UFGQHTETSA-N","Log P":-3.2,"Exact Mass":332.133199,"Molecular Formula":"C12H20N4O7","Molecular Weight":332.31,"Monoisotopic Mass":332.133199,Charge:0,"Easy Name":"Zanamivir","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"White to off-white powder"},"Melting Point":{Value:"256 °C"},Solubility:{Value:"In water, 18,000 mg/L at 25 °C"},Uses:{Value:"Antiviral"},"Vapor Pressure":{Value:"4.4X10-18 mm Hg at 25 °C (est)"}},ReducedFormula:"C12H20N4O7"},60857:{PUBCHEM:{CID:"60857","Compound Complexity":375,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxazolidin-2-one","IUPAC Name CAS-like Style":"(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone","IUPAC Name Markup":"(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one","IUPAC Name Preferred":"(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one","IUPAC Name Systematic":"(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one","IUPAC Name Traditional":"(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxazolidin-2-one",InChI:"1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1",InChIKey:"ULSDMUVEXKOYBU-ZDUSSCGKSA-N","Log P":2.2,"Exact Mass":287.16337693,"Molecular Formula":"C16H21N3O2","Molecular Weight":287.36,"Monoisotopic Mass":287.16337693,Charge:0,"Easy Name":"Zolmitriptan","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C16H21N3O2"},60961:{PUBCHEM:{CID:"60961","Compound Complexity":335,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol","IUPAC Name CAS-like Style":"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","IUPAC Name Markup":"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","IUPAC Name Preferred":"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","IUPAC Name Systematic":"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","IUPAC Name Traditional":"(2R,3R,4S,5R)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol",InChI:"1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",InChIKey:"OIRDTQYFTABQOQ-KQYNXXCUSA-N","Log P":-1.1,"Exact Mass":267.09675392,"Molecular Formula":"C10H13N5O4","Molecular Weight":267.24,"Monoisotopic Mass":267.09675392,Charge:0,"Easy Name":"Adenosine","Easy Category":"Nucleoside"},HSDB:{"Color And Form":{Value:"Needles (from water +3/2)"},"Melting Point":{Value:"235.5 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH = 4.5-7.5 (solution of 3 mg/mL adenosine and 9 mg/mL sodium chloride in water)"},Solubility:{Value:"Insoluble in ethanol"},Taste:{Value:"Mild, saline, or bitter taste"},Uses:{Value:"... conversion to siuns rhythm of paroxysmal supraventricular tachycardia (PSVT)"},"Vapor Pressure":{Value:"6.0X10-15 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H13N5O4"},61028:{PUBCHEM:{CID:"61028","Compound Complexity":7.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Lithium;butane","IUPAC Name CAS-like Style":"Lithium;butane","IUPAC Name Markup":"Lithium;butane","IUPAC Name Preferred":"Lithium;butane","IUPAC Name Systematic":"Lithium;butane","IUPAC Name Traditional":"Lithium;butane",InChI:"1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;/q-1;+1",InChIKey:"DLEDOFVPSDKWEF-UHFFFAOYSA-N","Exact Mass":64.08642873,"Molecular Formula":"C4H9Li","Molecular Weight":64.1,"Monoisotopic Mass":64.08642873,Charge:0,"Easy Name":"N-Butyllithium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C4H9Li1"},61126:{PUBCHEM:{CID:"61126","Compound Complexity":215,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","IUPAC Name CAS-like Style":"4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enol","IUPAC Name Markup":"4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","IUPAC Name Preferred":"4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","IUPAC Name Systematic":"4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","IUPAC Name Traditional":"4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol",InChI:"1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3",InChIKey:"WONIGEXYPVIKFS-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":"Verbenol","Easy Category":"Terpenoid"},HSDB:{},ReducedFormula:"C10H16O1"},61138:{PUBCHEM:{CID:"61138","Compound Complexity":76.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Pent-4-enoic acid","IUPAC Name CAS-like Style":"4-pentenoic acid","IUPAC Name Markup":"Pent-4-enoic acid","IUPAC Name Preferred":"Pent-4-enoic acid","IUPAC Name Systematic":"Pent-4-enoic acid","IUPAC Name Traditional":"Pent-4-enoic acid",InChI:"1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)",InChIKey:"HVAMZGADVCBITI-UHFFFAOYSA-N","Log P":.8,"Exact Mass":100.052429497,"Molecular Formula":"C5H8O2","Molecular Weight":100.12,"Monoisotopic Mass":100.052429497,Charge:0,"Easy Name":"Allylacetic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C5H8O2"},61147:{PUBCHEM:{CID:"61147","Compound Complexity":42.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-bromoacetyl bromide","IUPAC Name CAS-like Style":"2-bromoacetyl bromide","IUPAC Name Markup":"2-bromoacetyl bromide","IUPAC Name Preferred":"2-bromoacetyl bromide","IUPAC Name Systematic":"2-bromanylethanoyl bromide","IUPAC Name Traditional":"2-bromoacetyl bromide",InChI:"1S/C2H2Br2O/c3-1-2(4)5/h1H2",InChIKey:"LSTRKXWIZZZYAS-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":201.84519,"Molecular Formula":"C2H2Br2O","Molecular Weight":201.84,"Monoisotopic Mass":199.84724,Charge:0,"Easy Name":"Bromoacetyl bromide","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C2H2O1"},61171:{PUBCHEM:{CID:"61171","Compound Complexity":51.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"S-ethyl ethanethioate","IUPAC Name CAS-like Style":"Ethanethioic acid S-ethyl ester","IUPAC Name Markup":"S-ethyl ethanethioate","IUPAC Name Preferred":"S-ethyl ethanethioate","IUPAC Name Systematic":"S-ethyl ethanethioate","IUPAC Name Traditional":"Ethanethioic acid S-ethyl ester",InChI:"1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3",InChIKey:"APTGPWJUOYMUCE-UHFFFAOYSA-N","Log P":1,"Exact Mass":104.02958605,"Molecular Formula":"C4H8OS","Molecular Weight":104.17,"Monoisotopic Mass":104.02958605,Charge:0,"Easy Name":"Ethyl thioacetate","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C4H8O1S1"},61231:{PUBCHEM:{CID:"61231","Compound Complexity":25.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltic;triacetate","IUPAC Name CAS-like Style":"Cobalt(3+);triacetate","IUPAC Name Markup":"Cobalt(3+);triacetate","IUPAC Name Preferred":"Cobalt(3+);triacetate","IUPAC Name Systematic":"Cobalt(3+);triethanoate","IUPAC Name Traditional":"Cobaltic;triacetate",InChI:"1S/3C2H4O2.Co/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",InChIKey:"ZUKDFIXDKRLHRB-UHFFFAOYSA-K","Exact Mass":235.973107,"Molecular Formula":"C6H9CoO6","Molecular Weight":236.06,"Monoisotopic Mass":235.973107,Charge:0,"Easy Name":"Cobaltic acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6Co1H9O6"},61247:{PUBCHEM:{CID:"61247","Compound Complexity":48.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2-methoxy-2-methyl-butane","IUPAC Name CAS-like Style":"2-methoxy-2-methylbutane","IUPAC Name Markup":"2-methoxy-2-methylbutane","IUPAC Name Preferred":"2-methoxy-2-methylbutane","IUPAC Name Systematic":"2-methoxy-2-methyl-butane","IUPAC Name Traditional":"2-methoxy-2-methyl-butane",InChI:"1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3",InChIKey:"HVZJRWJGKQPSFL-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":102.10446507,"Molecular Formula":"C6H14O","Molecular Weight":102.17,"Monoisotopic Mass":102.10446507,Charge:0,"Easy Name":"Tert-Amyl methyl ether","Easy Category":"Ether"},HSDB:{"Boiling Point":{Value:"86.3 °C"},Density:{Value:"0.7660 g/cu cm at 25 °C"},"Refractive Index":{Value:"Index of refraction = 1.3862 at 25 °C/D"},Solubility:{Value:"Very soluble ethyl ether, ethanol"},"Vapor Pressure":{Value:"75.2 mm Hg at 25 °C"}},ReducedFormula:"C6H14O1"},61258:{PUBCHEM:{CID:"61258","Compound Complexity":196,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":30,"IUPAC Name Allowed":"Plumbous;octadecanoate","IUPAC Name CAS-like Style":"Lead(2+);octadecanoate","IUPAC Name Markup":"Lead(2+);octadecanoate","IUPAC Name Preferred":"Lead(2+);octadecanoate","IUPAC Name Systematic":"Lead(2+);octadecanoate","IUPAC Name Traditional":"Plumbous;stearate",InChI:"1S/2C18H36O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",InChIKey:"UQLDLKMNUJERMK-UHFFFAOYSA-L","Exact Mass":774.50406,"Molecular Formula":"C36H70O4Pb","Molecular Weight":774,"Monoisotopic Mass":774.50406,Charge:0,"Easy Name":"Lead (II) stearate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C36H70O4Pb1"},61295:{PUBCHEM:{CID:"61295","Compound Complexity":61.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"S-propyl ethanethioate","IUPAC Name CAS-like Style":"Ethanethioic acid S-propyl ester","IUPAC Name Markup":"S-propyl ethanethioate","IUPAC Name Preferred":"S-propyl ethanethioate","IUPAC Name Systematic":"S-propyl ethanethioate","IUPAC Name Traditional":"Ethanethioic acid S-propyl ester",InChI:"1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3",InChIKey:"SBWFWBJCYMBZEY-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":118.04523612,"Molecular Formula":"C5H10OS","Molecular Weight":118.2,"Monoisotopic Mass":118.04523612,Charge:0,"Easy Name":"S-Propyl thioacetate","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C5H10O1S1"},61300:{PUBCHEM:{CID:"61300","Compound Complexity":211,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Ferric;citrate","IUPAC Name CAS-like Style":"2-hydroxypropane-1,2,3-tricarboxylate;iron(3+)","IUPAC Name Markup":"2-hydroxypropane-1,2,3-tricarboxylate;iron(3+)","IUPAC Name Preferred":"2-hydroxypropane-1,2,3-tricarboxylate;iron(3+)","IUPAC Name Systematic":"Iron(3+);2-oxidanylpropane-1,2,3-tricarboxylate","IUPAC Name Traditional":"Ferric;citrate",InChI:"1S/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",InChIKey:"NPFOYSMITVOQOS-UHFFFAOYSA-K","Exact Mass":244.938463,"Molecular Formula":"C6H5FeO7","Molecular Weight":244.94,"Monoisotopic Mass":244.938463,Charge:0,"Easy Name":"Iron (III) citrate","Easy Category":"Organic salt"},HSDB:{Density:{Value:"Specific gravity: 1.8 at 20 °C/4 °C (solid)"},Uses:{Value:"For blueprints; in photography."}},ReducedFormula:"C6Fe1H5O7"},61325:{PUBCHEM:{CID:"61325","Compound Complexity":193,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"4-methoxy-2,5-dimethyl-furan-3-one","IUPAC Name CAS-like Style":"4-methoxy-2,5-dimethyl-3-furanone","IUPAC Name Markup":"4-methoxy-2,5-dimethylfuran-3-one","IUPAC Name Preferred":"4-methoxy-2,5-dimethylfuran-3-one","IUPAC Name Systematic":"4-methoxy-2,5-dimethyl-furan-3-one","IUPAC Name Traditional":"4-methoxy-2,5-dimethyl-furan-3-one",InChI:"1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3",InChIKey:"SIMKGHMLPVDSJE-UHFFFAOYSA-N","Log P":1,"Exact Mass":142.06299418,"Molecular Formula":"C7H10O3","Molecular Weight":142.15,"Monoisotopic Mass":142.06299418,Charge:0,"Easy Name":"4-methoxy-2, 5-dimethyl-3 (2H)-furanone","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H10O3"},61336:{PUBCHEM:{CID:"61336","Compound Complexity":773,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenylazo-1-naphthyl)diazene","IUPAC Name CAS-like Style":"(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenyl-1-naphthalenyl)diazene","IUPAC Name Markup":"(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene","IUPAC Name Preferred":"(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene","IUPAC Name Systematic":"(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene","IUPAC Name Traditional":"(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenylazo-1-naphthyl)diazene",InChI:"1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3",InChIKey:"YCUVUDODLRLVIC-UHFFFAOYSA-N","Log P":8.4,"Exact Mass":456.2062448,"Molecular Formula":"C29H24N6","Molecular Weight":456.5,"Monoisotopic Mass":456.2062448,Charge:0,"Easy Name":"Sudan Black B","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C29H24N6"},61365:{PUBCHEM:{CID:"61365","Compound Complexity":1500,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"Sodium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-anilino]methyl]benzenesulfonate","IUPAC Name CAS-like Style":"Sodium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate","IUPAC Name Markup":"Sodium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate","IUPAC Name Preferred":"Sodium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate","IUPAC Name Systematic":"Sodium;3-[[[4-[[4-[(4-ethoxyphenyl)amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]phenyl]-ethyl-amino]methyl]benzenesulfonate","IUPAC Name Traditional":"Sodium;3-[[N-ethyl-4-[[4-[ethyl-(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene]-[4-(p-phenetidino)phenyl]methyl]anilino]methyl]besylate",InChI:"1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1",InChIKey:"NKLPQNGYXWVELD-UHFFFAOYSA-M","Exact Mass":825.2518374,"Molecular Formula":"C45H44N3NaO7S2","Molecular Weight":826,"Monoisotopic Mass":825.2518374,Charge:0,"Easy Name":"Sodium 3- ({[ (1Z, 4Z)-4- ({4-[ (4-ethoxyphenyl)amino]phenyl}{4-[ethyl (3-sulfonatobenzyl)amino]phenyl}methylene)-2, 5-cyclohexadien-1-ylidene] (ethyl)ammonio}methyl)benzenesulfonate","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C45H44N3Na1O7S2"},61388:{PUBCHEM:{CID:"61388","Compound Complexity":932,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisodium;8-hydroxypyrene-1,3,6-trisulfonate","IUPAC Name CAS-like Style":"Trisodium;8-hydroxypyrene-1,3,6-trisulfonate","IUPAC Name Markup":"Trisodium;8-hydroxypyrene-1,3,6-trisulfonate","IUPAC Name Preferred":"Trisodium;8-hydroxypyrene-1,3,6-trisulfonate","IUPAC Name Systematic":"Trisodium;8-oxidanylpyrene-1,3,6-trisulfonate","IUPAC Name Traditional":"Trisodium;8-hydroxypyrene-1,3,6-trisulfonate",InChI:"1S/C16H10O10S3.3Na/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10;;;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3",InChIKey:"KXXXUIKPSVVSAW-UHFFFAOYSA-K","Exact Mass":523.88944279,"Molecular Formula":"C16H7Na3O10S3","Molecular Weight":524.4,"Monoisotopic Mass":523.88944279,Charge:0,"Easy Name":"Pyranine","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C16H7Na3O10S3"},61396:{PUBCHEM:{CID:"61396","Compound Complexity":533,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"N-ethyl-1-(4-phenylazophenyl)azo-naphthalen-2-amine","IUPAC Name CAS-like Style":"N-ethyl-1-(4-phenyldiazenylphenyl)azo-2-naphthalenamine","IUPAC Name Markup":"N-ethyl-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine","IUPAC Name Preferred":"N-ethyl-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine","IUPAC Name Systematic":"N-ethyl-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine","IUPAC Name Traditional":"Ethyl-[1-(4-phenylazophenyl)azo-2-naphthyl]amine",InChI:"1S/C24H21N5/c1-2-25-23-17-12-18-8-6-7-11-22(18)24(23)29-28-21-15-13-20(14-16-21)27-26-19-9-4-3-5-10-19/h3-17,25H,2H2,1H3",InChIKey:"VKWNTWQXVLKCSG-UHFFFAOYSA-N","Log P":7.1,"Exact Mass":379.1796957,"Molecular Formula":"C24H21N5","Molecular Weight":379.5,"Monoisotopic Mass":379.1796957,Charge:0,"Easy Name":"Sudan Red 7B","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C24H21N5"},61424:{PUBCHEM:{CID:"61424","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;dioxido(dioxo)molybdenum","IUPAC Name CAS-like Style":"Disodium;dioxido(dioxo)molybdenum","IUPAC Name Markup":"Disodium;dioxido(dioxo)molybdenum","IUPAC Name Preferred":"Disodium;dioxido(dioxo)molybdenum","IUPAC Name Systematic":"Disodium;bis(oxidanidyl)-bis(oxidanylidene)molybdenum","IUPAC Name Traditional":"Disodium;diketo(dioxido)molybdenum",InChI:"1S/Mo.2Na.4O/q;2*+1;;;2*-1",InChIKey:"TVXXNOYZHKPKGW-UHFFFAOYSA-N","Exact Mass":207.864601,"Molecular Formula":"MoNa2O4","Molecular Weight":205.9,"Monoisotopic Mass":207.864601,Charge:0,"Easy Name":"Sodium molybdate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Mo1Na2O4"},61437:{PUBCHEM:{CID:"61437","Compound Complexity":8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Traditional":"Trichloroamine",InChI:"1S/Cl3N/c1-4(2)3",InChIKey:"QEHKBHWEUPXBCW-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":118.909632,"Molecular Formula":"Cl3N","Molecular Weight":120.36,"Monoisotopic Mass":118.909632,Charge:0,"Easy Name":"Nitrogen trichloride","Easy Category":"Inorganic matter"},HSDB:{"Boiling Point":{Value:"71 °C"},"Color And Form":{Value:"Yellow, oily liquid; explodes"},Density:{Value:"1.653 g/cu cm"},"Melting Point":{Value:"-40 °C"},Odor:{Value:"Pungent"},Solubility:{Value:"Insoluble in water"},"Vapor Pressure":{Value:"150 mm Hg at 20 °C"}},ReducedFormula:"Cl3N1"},61440:{PUBCHEM:{CID:"61440","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;tetrachloroplatinum(2-)","IUPAC Name CAS-like Style":"Dipotassium;tetrachloroplatinum(2-)","IUPAC Name Markup":"Dipotassium;tetrachloroplatinum(2-)","IUPAC Name Preferred":"Dipotassium;tetrachloroplatinum(2-)","IUPAC Name Systematic":"Dipotassium;tetrakis(chloranyl)platinum(2-)","IUPAC Name Traditional":"Dipotassium;tetrachloroplatinum(2-)",InChI:"1S/4ClH.2K.Pt/h4*1H;;;/q;;;;2*+1;+2/p-4",InChIKey:"RVRDLMCWUILSAH-UHFFFAOYSA-J","Exact Mass":414.764668,"Molecular Formula":"Cl4K2Pt","Molecular Weight":415.1,"Monoisotopic Mass":412.767618,Charge:0,"Easy Name":"Potassium tetrachloroplatinate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl4K2Pt1"},61443:{PUBCHEM:{CID:"61443","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/Cl4Te/c1-5(2,3)4",InChIKey:"SWLJJEFSPJCUBD-UHFFFAOYSA-N","Exact Mass":271.778683,"Molecular Formula":"Cl4Te","Molecular Weight":269.4,"Monoisotopic Mass":269.781634,Charge:0,"Easy Name":"Tellurium tetrachloride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cl4Te1"},61461:{PUBCHEM:{CID:"61461","Compound Complexity":19.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrafluorouranium","IUPAC Name CAS-like Style":"Tetrafluorouranium","IUPAC Name Markup":"Tetrafluorouranium","IUPAC Name Preferred":"Tetrafluorouranium","IUPAC Name Systematic":"Tetrakis(fluoranyl)uranium","IUPAC Name Traditional":"Tetrafluorouranium",InChI:"1S/4FH.U/h4*1H;/q;;;;+4/p-4",InChIKey:"MZFRHHGRNOIMLW-UHFFFAOYSA-J","Exact Mass":314.0444,"Molecular Formula":"F4U","Molecular Weight":314.0225,"Monoisotopic Mass":314.0444,Charge:0,"Easy Name":"Uranium tetrafluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F4U1"},61477:{PUBCHEM:{CID:"61477","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;arsorate","IUPAC Name CAS-like Style":"Iron(3+);arsorate","IUPAC Name Markup":"Iron(3+);arsorate","IUPAC Name Preferred":"Iron(3+);arsorate","IUPAC Name Systematic":"Iron(3+);arsorate","IUPAC Name Traditional":"Ferric;arsorate",InChI:"1S/AsH3O4.Fe/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+3/p-3",InChIKey:"BMWMWYBEJWFCJI-UHFFFAOYSA-K","Exact Mass":194.83619,"Molecular Formula":"AsFeO4","Molecular Weight":194.76,"Monoisotopic Mass":194.83619,Charge:0,"Easy Name":"Iron (III) arsenate (1:1)","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"The solid is a green or brown powder."},Solubility:{Value:"The solubility of ferric arsenate (FeAsO4) was studied at 25-73 °C and pH 3.5-11 with regard to removal of arsenic from waste waters; solubility is negligible in neutral soln. However, it was 4.4X10-6 and 3.8X10-2 g-ion/L at 73 °C and pH 3 and 11, respectively."},Uses:{Value:"Insecticide /dihydrate/"}},ReducedFormula:"As1Fe1O4"},61485:{PUBCHEM:{CID:"61485","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;ferric;disulfate","IUPAC Name CAS-like Style":"Ammonium;iron(3+);disulfate","IUPAC Name Markup":"Azanium;iron(3+);disulfate","IUPAC Name Preferred":"Azanium;iron(3+);disulfate","IUPAC Name Systematic":"Azanium;iron(3+);disulfate","IUPAC Name Traditional":"Ammonium;ferric;disulfate",InChI:"1S/Fe.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",InChIKey:"XGGLLRJQCZROSE-UHFFFAOYSA-K","Exact Mass":265.872769,"Molecular Formula":"FeH4NO8S2","Molecular Weight":266,"Monoisotopic Mass":265.872769,Charge:0,"Easy Name":"Ammonium iron (III) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1H4N1O8S2"},61489:{PUBCHEM:{CID:"61489","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromic;potassium;disulfate","IUPAC Name CAS-like Style":"Potassium;chromium(3+);disulfate","IUPAC Name Markup":"Potassium;chromium(3+);disulfate","IUPAC Name Preferred":"Potassium;chromium(3+);disulfate","IUPAC Name Systematic":"Potassium;chromium(3+);disulfate","IUPAC Name Traditional":"Chromic;potassium;disulfate",InChI:"1S/Cr.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",InChIKey:"OIDPCXKPHYRNKH-UHFFFAOYSA-J","Exact Mass":282.807671,"Molecular Formula":"CrKO8S2","Molecular Weight":283.22,"Monoisotopic Mass":282.807671,Charge:0,"Easy Name":"Chrome alum","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1K1O8S2"},61497:{PUBCHEM:{CID:"61497","Compound Complexity":37.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentachloromolybdenum","IUPAC Name CAS-like Style":"Pentachloromolybdenum","IUPAC Name Markup":"Pentachloromolybdenum","IUPAC Name Preferred":"Pentachloromolybdenum","IUPAC Name Systematic":"Pentakis(chloranyl)molybdenum","IUPAC Name Traditional":"Pentachloromolybdenum",InChI:"1S/5ClH.Mo/h5*1H;/q;;;;;+5/p-5",InChIKey:"GICWIDZXWJGTCI-UHFFFAOYSA-I","Exact Mass":274.746717,"Molecular Formula":"Cl5Mo","Molecular Weight":273.2,"Monoisotopic Mass":272.749667,Charge:0,"Easy Name":"Molybdenum (5+) pentachloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl5Mo1"},61500:{PUBCHEM:{CID:"61500","Compound Complexity":194,"Hydrogen Bond Acceptor":21,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diferric;oxido-(oxido(dioxo)chromio)oxy-dioxo-chromium","IUPAC Name CAS-like Style":"Iron(3+);oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Markup":"Iron(3+);oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Preferred":"Iron(3+);oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Systematic":"Iron(3+);oxidanidyl-(oxidanidyl-bis(oxidanylidene)chromio)oxy-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Diferric;(diketo(oxido)chromio)oxy-diketo-oxido-chromium",InChI:"1S/6Cr.2Fe.21O/q;;;;;;2*+3;;;;;;;;;;;;;;;;6*-1",InChIKey:"PZAMPIIQDNJGDY-UHFFFAOYSA-N","Exact Mass":759.40611,"Molecular Formula":"Cr6Fe2O21","Molecular Weight":759.65,"Monoisotopic Mass":759.40611,Charge:0,"Easy Name":"Iron (III) dichromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr6Fe2O21"},61501:{PUBCHEM:{CID:"61501","Compound Complexity":82.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;dioxido-oxo-thioxo-lambda6-sulfane","IUPAC Name CAS-like Style":"Dipotassium;dioxido-oxo-sulfanylidene-lambda6-sulfane","IUPAC Name Markup":"Dipotassium;dioxido-oxo-sulfanylidene-λ6-sulfane","IUPAC Name Preferred":"Dipotassium;dioxido-oxo-sulfanylidene-lambda6-sulfane","IUPAC Name Systematic":"Dipotassium;bis(oxidanidyl)-oxidanylidene-sulfanylidene-lambda6-sulfane","IUPAC Name Traditional":"Dipotassium;keto-dioxido-thioxo-lambda6-sulfane",InChI:"1S/2K.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"FGRVOLIFQGXPCT-UHFFFAOYSA-L","Exact Mass":189.8562992,"Molecular Formula":"K2O3S2","Molecular Weight":190.33,"Monoisotopic Mass":189.8562992,Charge:0,"Easy Name":"Potassium thiosulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K2O3S2"},61503:{PUBCHEM:{CID:"61503","Compound Complexity":59.1,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R)-2-hydroxypropanoic acid","IUPAC Name CAS-like Style":"(2R)-2-hydroxypropanoic acid","IUPAC Name Markup":"(2R)-2-hydroxypropanoic acid","IUPAC Name Preferred":"(2R)-2-hydroxypropanoic acid","IUPAC Name Systematic":"(2R)-2-oxidanylpropanoic acid","IUPAC Name Traditional":"(2R)-2-hydroxypropionic acid",InChI:"1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1",InChIKey:"JVTAAEKCZFNVCJ-UWTATZPHSA-N","Log P":-.7,"Exact Mass":90.031694052,"Molecular Formula":"C3H6O3","Molecular Weight":90.08,"Monoisotopic Mass":90.031694052,Charge:0,"Easy Name":"D-Lactic acid","Easy Category":"Hydroxy acids"},HSDB:{"Boiling Point":{Value:"122 °C at 15 mm Hg"},"Color And Form":{Value:"Crystals (melt at 16.8 °C)"},"Critical Temperature And Pressure":{Value:"Critical temperature: 675 deg K; critical pressure: 5960 kPa (est)"},Density:{Value:"1.2060 g/cu cm at 21 °C"},"Melting Point":{Value:"16.8 °C"},Odor:{Value:"Odorless"},pH:{Value:"The pH of a 10 wt% aqueous solution of lactic acid is 1.75"},"Refractive Index":{Value:"Index of refraction = 1.4392 at 20 °C"},Solubility:{Value:"Completely soluble in water"},Taste:{Value:"Mild acid taste and does not overpower weaker aromatic flavors"},Uses:{Value:"The fastest growing use for lactic acid is its use as a monomer for the production of polylactic acid or polylactide (PLA). ... Applications for PLA include containers for the food and beverage industries, films and rigid containers for packaging, and serviceware (cups, plates, utensils). The PLA polymer can also be spun into fibers and used in apparel, fiberfill (pillows, comforters), carpet, and nonwoven applications such as wipes."},"Vapor Pressure":{Value:"0.0813 mm Hg at 25 °C"},Viscosity:{Value:"Viscosities of aqueous lactic acid at 25 °C: 1.042 mPa s (6.29 wt%), 1.752 mPa s (25.02 wt%), 4.68 mPa s (54.94 wt%), 36.9 mPa s (88.60 wt%)"}},ReducedFormula:"C3H6O3"},61511:{PUBCHEM:{CID:"61511","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Manganous;dinitrate","IUPAC Name CAS-like Style":"Manganese(2+);dinitrate","IUPAC Name Markup":"Manganese(2+);dinitrate","IUPAC Name Preferred":"Manganese(2+);dinitrate","IUPAC Name Systematic":"Manganese(2+);dinitrate","IUPAC Name Traditional":"Manganous;dinitrate",InChI:"1S/Mn.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"MIVBAHRSNUNMPP-UHFFFAOYSA-N","Exact Mass":178.913679,"Molecular Formula":"MnN2O6","Molecular Weight":178.95,"Monoisotopic Mass":178.913679,Charge:0,"Easy Name":"Manganese (II) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Mn1N2O6"},61520:{PUBCHEM:{CID:"61520","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;dichloride","IUPAC Name CAS-like Style":"Strontium;dichloride","IUPAC Name Markup":"Strontium;dichloride","IUPAC Name Preferred":"Strontium;dichloride","IUPAC Name Systematic":"Strontium;dichloride","IUPAC Name Traditional":"Strontium;dichloride",InChI:"1S/2ClH.Sr/h2*1H;/q;;+2/p-2",InChIKey:"AHBGXTDRMVNFER-UHFFFAOYSA-L","Exact Mass":157.8433176,"Molecular Formula":"Cl2Sr","Molecular Weight":158.5,"Monoisotopic Mass":157.8433176,Charge:0,"Easy Name":"Strontium chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Sr1"},61526:{PUBCHEM:{CID:"61526","Compound Complexity":50.4,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"N-oxonitramide","IUPAC Name CAS-like Style":"N-oxonitramide","IUPAC Name Markup":"N-oxonitramide","IUPAC Name Preferred":"N-oxonitramide","IUPAC Name Systematic":"N-oxidanylidenenitramide","IUPAC Name Traditional":"N-ketonitramide",InChI:"1S/N2O3/c3-1-2(4)5",InChIKey:"LZDSILRDTDCIQT-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":75.990891868,"Molecular Formula":"N2O3","Molecular Weight":76.012,"Monoisotopic Mass":75.990891868,Charge:0,"Easy Name":"Dinitrogen trioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"N2O3"},61534:{PUBCHEM:{CID:"61534","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;dihydroxide","IUPAC Name CAS-like Style":"Nickel(2+);dihydroxide","IUPAC Name Markup":"Nickel(2+);dihydroxide","IUPAC Name Preferred":"Nickel(2+);dihydroxide","IUPAC Name Systematic":"Nickel(2+);dihydroxide","IUPAC Name Traditional":"Nickelous;dihydroxide",InChI:"1S/Ni.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"BFDHFSHZJLFAMC-UHFFFAOYSA-L","Exact Mass":91.940821,"Molecular Formula":"H2NiO2","Molecular Weight":92.708,"Monoisotopic Mass":91.940821,Charge:0,"Easy Name":"Nickel (II) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2Ni1O2"},61540:{PUBCHEM:{CID:"61540","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(oxo)cobalt","IUPAC Name CAS-like Style":"Hydroxy(oxo)cobalt","IUPAC Name Markup":"Hydroxy(oxo)cobalt","IUPAC Name Preferred":"Hydroxy(oxo)cobalt","IUPAC Name Systematic":"Oxidanyl(oxidanylidene)cobalt","IUPAC Name Traditional":"Hydroxy(keto)cobalt",InChI:"1S/Co.H2O.O/h;1H2;/q+1;;/p-1",InChIKey:"DLHSXQSAISCVNN-UHFFFAOYSA-M","Exact Mass":91.930848,"Molecular Formula":"CoHO2","Molecular Weight":91.94,"Monoisotopic Mass":91.930848,Charge:0,"Easy Name":"Hydroxy (oxo)cobalt","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Co1H1O2"},61541:{PUBCHEM:{CID:"61541","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;molecular oxygen","IUPAC Name CAS-like Style":"Potassium;molecular oxygen","IUPAC Name Markup":"Potassium;molecular oxygen","IUPAC Name Preferred":"Potassium;molecular oxygen","IUPAC Name Systematic":"Potassium;molecular oxygen","IUPAC Name Traditional":"Potassium;molecular oxygen",InChI:"1S/K.O2/c;1-2/q+1;",InChIKey:"CLSKHAYBTFRDOV-UHFFFAOYSA-N","Exact Mass":70.95353573,"Molecular Formula":"KO2+","Molecular Weight":71.097,"Monoisotopic Mass":70.95353573,Charge:1,"Easy Name":"Potassium superoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"+1K1O2"},61546:{PUBCHEM:{CID:"61546","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trimagnesium;phosphorus(3-)","IUPAC Name CAS-like Style":"Trimagnesium;phosphorus(3-)","IUPAC Name Markup":"Trimagnesium;phosphorus(3-)","IUPAC Name Preferred":"Trimagnesium;phosphorus(3-)","IUPAC Name Systematic":"Trimagnesium;phosphorus(3-)","IUPAC Name Traditional":"Trimagnesium;phosphorus(3-)",InChI:"1S/3Mg.2P/q3*+2;2*-3",InChIKey:"VUBDMGXNLNDGIY-UHFFFAOYSA-N","Exact Mass":133.9026491,"Molecular Formula":"Mg3P2","Molecular Weight":134.86,"Monoisotopic Mass":133.9026491,Charge:0,"Easy Name":"Magnesium phosphide","Easy Category":"Insecticide"},HSDB:{"Color And Form":{Value:"Yellow cubic crystals"},Density:{Value:"2.06 g/cu cm"},Solubility:{Value:"Reacts with water"},Uses:{Value:"For magnesium phosphide (USEPA/OPP Pesticide Code: 066504) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Mg3P2"},61566:{PUBCHEM:{CID:"61566","Compound Complexity":82.3,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Hydroxy-[hydroxy(oxo)silyl]oxy-oxo-silane","IUPAC Name CAS-like Style":"Hydroxy-[hydroxy(oxo)silyl]oxy-oxosilane","IUPAC Name Markup":"Hydroxy-[hydroxy(oxo)silyl]oxy-oxosilane","IUPAC Name Preferred":"Hydroxy-[hydroxy(oxo)silyl]oxy-oxosilane","IUPAC Name Systematic":"Oxidanyl-oxidanylidene-[oxidanyl(oxidanylidene)silyl]oxy-silane","IUPAC Name Traditional":"Hydroxy-[hydroxy(keto)silyl]oxy-keto-silane",InChI:"1S/H2O5Si2/c1-6(2)5-7(3)4/h1,3H",InChIKey:"BLWUSAVPLFNOFW-UHFFFAOYSA-N","Exact Mass":137.94407623,"Molecular Formula":"H2O5Si2","Molecular Weight":138.18,"Monoisotopic Mass":137.94407623,Charge:0,"Easy Name":"Silicic acid (H2Si2O5)","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O5Si2"},61577:{PUBCHEM:{CID:"61577","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Beryllium;carbonate","IUPAC Name CAS-like Style":"Beryllium;carbonate","IUPAC Name Markup":"Beryllium;carbonate","IUPAC Name Preferred":"Beryllium;carbonate","IUPAC Name Systematic":"Beryllium;carbonate","IUPAC Name Traditional":"Beryllium;carbonate",InChI:"1S/CH2O3.Be/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"ZBUQRSWEONVBES-UHFFFAOYSA-L","Exact Mass":68.9969269,"Molecular Formula":"CBeO3","Molecular Weight":69.021,"Monoisotopic Mass":68.9969269,Charge:0,"Easy Name":"Beryllium carbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Be1C1O3"},61578:{PUBCHEM:{CID:"61578","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;dioxido(dioxo)molybdenum","IUPAC Name CAS-like Style":"Diammonium;dioxido(dioxo)molybdenum","IUPAC Name Markup":"Diazanium;dioxido(dioxo)molybdenum","IUPAC Name Preferred":"Diazanium;dioxido(dioxo)molybdenum","IUPAC Name Systematic":"Diazanium;bis(oxidanidyl)-bis(oxidanylidene)molybdenum","IUPAC Name Traditional":"Diammonium;diketo(dioxido)molybdenum",InChI:"1S/Mo.2H3N.4O/h;2*1H3;;;;/q;;;;;2*-1/p+2",InChIKey:"APUPEJJSWDHEBO-UHFFFAOYSA-P","Exact Mass":197.95381,"Molecular Formula":"H8MoN2O4","Molecular Weight":196,"Monoisotopic Mass":197.95381,Charge:0,"Easy Name":"Ammonium orthomolybdate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H8Mo1N2O4"},61600:{PUBCHEM:{CID:"61600","Compound Complexity":107,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Diazidolead","IUPAC Name CAS-like Style":"Diazidolead","IUPAC Name Markup":"Diazidolead","IUPAC Name Preferred":"Diazidolead","IUPAC Name Systematic":"Diazidolead","IUPAC Name Traditional":"Diazidolead",InChI:"1S/2N3.Pb/c2*1-3-2;/q2*-1;+2",InChIKey:"ISEQAARZRCDNJH-UHFFFAOYSA-N","Exact Mass":291.9951,"Molecular Formula":"N6Pb","Molecular Weight":291,"Monoisotopic Mass":291.9951,Charge:0,"Easy Name":"Lead (II) azide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Needles or white powder"},Density:{Value:"4.7 g/cu cm"},"Melting Point":{Value:"Decomposes at 190 °C"},Solubility:{Value:"Freely sol in acetic acid; insol in ammonium hydroxide"},Uses:{Value:"Used with lead styphnate and aluminum (ASA /lead azide; lead styphnate; lead aluminum/ mixtures) for military detonators, in a mixture with tetrazene, and in a composite arrangement topped with more sensitive composition"}},ReducedFormula:"N6Pb1"},61603:{PUBCHEM:{CID:"61603","Compound Complexity":8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Traditional":"Triiodoamine",InChI:"1S/I3N/c1-4(2)3",InChIKey:"FZIONDGWZAKCEX-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":394.7165,"Molecular Formula":"I3N","Molecular Weight":394.72,"Monoisotopic Mass":394.7165,Charge:0,"Easy Name":"Nitrogen triiodide","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"I3N1"},61607:{PUBCHEM:{CID:"61607","Compound Complexity":95.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;diperchlorate","IUPAC Name CAS-like Style":"Strontium;diperchlorate","IUPAC Name Markup":"Strontium;diperchlorate","IUPAC Name Preferred":"Strontium;diperchlorate","IUPAC Name Systematic":"Strontium;diperchlorate","IUPAC Name Traditional":"Strontium;diperchlorate",InChI:"1S/2ClHO4.Sr/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",InChIKey:"MXRFIUHRIOLIIV-UHFFFAOYSA-L","Exact Mass":285.8026346,"Molecular Formula":"Cl2O8Sr","Molecular Weight":286.5,"Monoisotopic Mass":285.8026346,Charge:0,"Easy Name":"Strontium diperchlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2O8Sr1"},61609:{PUBCHEM:{CID:"61609","Compound Complexity":81.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Telluric acid","IUPAC Name CAS-like Style":"Telluric acid","IUPAC Name Markup":"Telluric acid","IUPAC Name Preferred":"Telluric acid","IUPAC Name Systematic":"Telluric acid","IUPAC Name Traditional":"Telluric acid",InChI:"1S/H2O4Te/c1-5(2,3)4/h(H2,1,2,3,4)",InChIKey:"XHGGEBRKUWZHEK-UHFFFAOYSA-N","Exact Mass":195.9015313,"Molecular Formula":"H2O4Te","Molecular Weight":193.6,"Monoisotopic Mass":195.9015313,Charge:0,"Easy Name":"Metatelluric acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O4Te1"},61613:{PUBCHEM:{CID:"61613","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicesium;dioxido(dioxo)chromium","IUPAC Name CAS-like Style":"Dicesium;dioxido(dioxo)chromium","IUPAC Name Markup":"Dicesium;dioxido(dioxo)chromium","IUPAC Name Preferred":"Dicesium;dioxido(dioxo)chromium","IUPAC Name Systematic":"Dicesium;bis(oxidanidyl)-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Dicesium;diketo(dioxido)chromium",InChI:"1S/Cr.2Cs.4O/q;2*+1;;;2*-1",InChIKey:"BROHICCPQMHYFY-UHFFFAOYSA-N","Exact Mass":381.731067,"Molecular Formula":"CrCs2O4","Molecular Weight":381.8,"Monoisotopic Mass":381.731067,Charge:0,"Easy Name":"Dicesium chromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1Cs2O4"},61615:{PUBCHEM:{CID:"61615","Compound Complexity":36.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tricobaltous;diphosphate","IUPAC Name CAS-like Style":"Cobalt(2+);diphosphate","IUPAC Name Markup":"Cobalt(2+);diphosphate","IUPAC Name Preferred":"Cobalt(2+);diphosphate","IUPAC Name Systematic":"Cobalt(2+);diphosphate","IUPAC Name Traditional":"Tricobaltous;diphosphate",InChI:"1S/3Co.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",InChIKey:"ZBDSFTZNNQNSQM-UHFFFAOYSA-H","Exact Mass":366.70642,"Molecular Formula":"Co3O8P2","Molecular Weight":366.74,"Monoisotopic Mass":366.70642,Charge:0,"Easy Name":"Cobalt (II) phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Co3O8P2"},61616:{PUBCHEM:{CID:"61616","Compound Complexity":7.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;oxoarsinite","IUPAC Name CAS-like Style":"Potassium;oxoarsinite","IUPAC Name Markup":"Potassium;oxoarsinite","IUPAC Name Preferred":"Potassium;oxoarsinite","IUPAC Name Systematic":"Potassium;oxoarsinite","IUPAC Name Traditional":"Potassium;oxoarsinite",InChI:"1S/AsHO2.K/c2-1-3;/h(H,2,3);/q;+1/p-1",InChIKey:"HEQWEGCSZXMIJQ-UHFFFAOYSA-M","Exact Mass":145.87513,"Molecular Formula":"AsKO2","Molecular Weight":146.019,"Monoisotopic Mass":145.87513,Charge:0,"Easy Name":"Arsenenous acid, potassium salt (1:1)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"As1K1O2"},61617:{PUBCHEM:{CID:"61617","Compound Complexity":124,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrasodium;arsonatooxy-dioxido-oxo-lambda5-arsane","IUPAC Name CAS-like Style":"Tetrasodium;arsonatooxy-dioxido-oxoarsorane","IUPAC Name Markup":"Tetrasodium;arsonatooxy-dioxido-oxo-λ5-arsane","IUPAC Name Preferred":"Tetrasodium;arsonatooxy-dioxido-oxo-lambda5-arsane","IUPAC Name Systematic":"Tetrasodium;arsonatooxy-bis(oxidanidyl)-oxidanylidene-lambda5-arsane","IUPAC Name Traditional":"Tetrasodium;arsonatooxy-keto-dioxido-arsorane",InChI:"1S/As2H4O7.4Na/c3-1(4,5)9-2(6,7)8;;;;/h(H2,3,4,5)(H2,6,7,8);;;;/q;4*+1/p-4",InChIKey:"RWCQXXWSKJVLJA-UHFFFAOYSA-J","Exact Mass":353.76667,"Molecular Formula":"As2Na4O7","Molecular Weight":353.8,"Monoisotopic Mass":353.76667,Charge:0,"Easy Name":"Tetrasodium diarsenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"As2Na4O7"},61621:{PUBCHEM:{CID:"61621","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bromosilane","IUPAC Name CAS-like Style":"Bromosilane","IUPAC Name Markup":"Bromosilane","IUPAC Name Preferred":"Bromosilane","IUPAC Name Systematic":"Bromanylsilane","IUPAC Name Traditional":"Bromosilane",InChI:"1S/BrH3Si/c1-2/h2H3",InChIKey:"VQPFDLRNOCQMSN-UHFFFAOYSA-N","Exact Mass":109.91874,"Molecular Formula":"BrH3Si","Molecular Weight":111.01,"Monoisotopic Mass":109.91874,Charge:0,"Easy Name":"Bromosilane","Easy Category":"Silanes"},HSDB:{},ReducedFormula:"Br1H3Si1"},61622:{PUBCHEM:{CID:"61622","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chlorosilane","IUPAC Name CAS-like Style":"Chlorosilane","IUPAC Name Markup":"Chlorosilane","IUPAC Name Preferred":"Chlorosilane","IUPAC Name Systematic":"Chloranylsilane","IUPAC Name Traditional":"Chlorosilane",InChI:"1S/ClH3Si/c1-2/h2H3",InChIKey:"KOPOQZFJUQMUML-UHFFFAOYSA-N","Exact Mass":65.9692543,"Molecular Formula":"ClH3Si","Molecular Weight":66.56,"Monoisotopic Mass":65.9692543,Charge:0,"Easy Name":"Chlorosilane","Easy Category":"Silanes"},HSDB:{},ReducedFormula:"Cl1H3Si1"},61623:{PUBCHEM:{CID:"61623","Compound Complexity":95.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);diperchlorate","IUPAC Name CAS-like Style":"Barium(2+);diperchlorate","IUPAC Name Markup":"Barium(2+);diperchlorate","IUPAC Name Preferred":"Barium(2+);diperchlorate","IUPAC Name Systematic":"Barium(2+);diperchlorate","IUPAC Name Traditional":"Barium(2+);diperchlorate",InChI:"1S/Ba.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2",InChIKey:"OOULUYZFLXDWDQ-UHFFFAOYSA-L","Exact Mass":335.80227,"Molecular Formula":"BaCl2O8","Molecular Weight":336.23,"Monoisotopic Mass":335.80227,Charge:0,"Easy Name":"Barium perchlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1Cl2O8"},61629:{PUBCHEM:{CID:"61629","Compound Complexity":95.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;diperchlorate","IUPAC Name CAS-like Style":"Calcium;diperchlorate","IUPAC Name Markup":"Calcium;diperchlorate","IUPAC Name Preferred":"Calcium;diperchlorate","IUPAC Name Systematic":"Calcium;diperchlorate","IUPAC Name Traditional":"Calcium;diperchlorate",InChI:"1S/Ca.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2",InChIKey:"ZQAOXERLHGRFIC-UHFFFAOYSA-L","Exact Mass":237.8596132,"Molecular Formula":"CaCl2O8","Molecular Weight":238.98,"Monoisotopic Mass":237.8596132,Charge:0,"Easy Name":"Calcium perchlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1Cl2O8"},61635:{PUBCHEM:{CID:"61635","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gallium;trinitrate","IUPAC Name CAS-like Style":"Gallium;trinitrate","IUPAC Name Markup":"Gallium;trinitrate","IUPAC Name Preferred":"Gallium;trinitrate","IUPAC Name Systematic":"Gallium;trinitrate","IUPAC Name Traditional":"Gallium;trinitrate",InChI:"1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1",InChIKey:"CHPZKNULDCNCBW-UHFFFAOYSA-N","Exact Mass":254.88903,"Molecular Formula":"GaN3O9","Molecular Weight":255.74,"Monoisotopic Mass":254.88903,Charge:0,"Easy Name":"Gallium nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ga1N3O9"},61650:{PUBCHEM:{CID:"61650","Compound Complexity":36.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triberyllium;diphosphate","IUPAC Name CAS-like Style":"Triberyllium;diphosphate","IUPAC Name Markup":"Triberyllium;diphosphate","IUPAC Name Preferred":"Triberyllium;diphosphate","IUPAC Name Systematic":"Triberyllium;diphosphate","IUPAC Name Traditional":"Triberyllium;diphosphate",InChI:"1S/3Be.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",InChIKey:"IVNWRBPZMGFWHH-UHFFFAOYSA-H","Exact Mass":216.94339,"Molecular Formula":"Be3O8P2","Molecular Weight":216.98,"Monoisotopic Mass":216.94339,Charge:0,"Easy Name":"Triberyllium diphosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Be3O8P2"},61666:{PUBCHEM:{CID:"61666","Compound Complexity":31.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cuprous;potassium;dicyanide","IUPAC Name CAS-like Style":"Potassium;copper(1+);dicyanide","IUPAC Name Markup":"Potassium;copper(1+);dicyanide","IUPAC Name Preferred":"Potassium;copper(1+);dicyanide","IUPAC Name Systematic":"Potassium;copper(1+);dicyanide","IUPAC Name Traditional":"Cuprous;potassium;dicyanide",InChI:"1S/2CN.Cu.K/c2*1-2;;/q2*-1;2*+1",InChIKey:"IVDPWEKOUUEEBD-UHFFFAOYSA-N","Exact Mass":153.899452,"Molecular Formula":"C2CuKN2","Molecular Weight":154.68,"Monoisotopic Mass":153.899452,Charge:0,"Easy Name":"Copper (1+) potassium cyanide (1:1:2)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C2Cu1K1N2"},61671:{PUBCHEM:{CID:"61671","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisodium;trioxido(oxo)vanadium","IUPAC Name CAS-like Style":"Trisodium;trioxido(oxo)vanadium","IUPAC Name Markup":"Trisodium;trioxido(oxo)vanadium","IUPAC Name Preferred":"Trisodium;trioxido(oxo)vanadium","IUPAC Name Systematic":"Trisodium;tris(oxidanidyl)-oxidanylidene-vanadium","IUPAC Name Traditional":"Trisodium;keto(trioxido)vanadium",InChI:"1S/3Na.4O.V/q3*+1;;3*-1;",InChIKey:"IHIXIJGXTJIKRB-UHFFFAOYSA-N","Exact Mass":183.892923,"Molecular Formula":"Na3O4V","Molecular Weight":183.908,"Monoisotopic Mass":183.892923,Charge:0,"Easy Name":"Sodium orthovanadate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na3O4V1"},61680:{PUBCHEM:{CID:"61680","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;dioxido(oxo)silane","IUPAC Name CAS-like Style":"Magnesium;dioxido(oxo)silane","IUPAC Name Markup":"Magnesium;dioxido(oxo)silane","IUPAC Name Preferred":"Magnesium;dioxido(oxo)silane","IUPAC Name Systematic":"Magnesium;bis(oxidanidyl)-oxidanylidene-silane","IUPAC Name Traditional":"Magnesium;keto(dioxido)silane",InChI:"1S/Mg.O3Si/c;1-4(2)3/q+2;-2",InChIKey:"FKHIFSZMMVMEQY-UHFFFAOYSA-N","Exact Mass":99.9467121,"Molecular Formula":"MgO3Si","Molecular Weight":100.39,"Monoisotopic Mass":99.9467121,Charge:0,"Easy Name":"Magnesium silicate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Mg1O3Si1"},61686:{PUBCHEM:{CID:"61686","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromous;sulfate","IUPAC Name CAS-like Style":"Chromium(2+);sulfate","IUPAC Name Markup":"Chromium(2+);sulfate","IUPAC Name Preferred":"Chromium(2+);sulfate","IUPAC Name Systematic":"Chromium(2+);sulfate","IUPAC Name Traditional":"Chromous;sulfate",InChI:"1S/Cr.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"RYPRIXSYXLDSOA-UHFFFAOYSA-L","Exact Mass":147.892235,"Molecular Formula":"CrO4S","Molecular Weight":148.06,"Monoisotopic Mass":147.892235,Charge:0,"Easy Name":"Chromium (II) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1O4S1"},61690:{PUBCHEM:{CID:"61690","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;hypochlorite","IUPAC Name CAS-like Style":"Lithium;hypochlorite","IUPAC Name Markup":"Lithium;hypochlorite","IUPAC Name Preferred":"Lithium;hypochlorite","IUPAC Name Systematic":"Lithium;hypochlorite","IUPAC Name Traditional":"Lithium;hypochlorite",InChI:"1S/ClO.Li/c1-2;/q-1;+1",InChIKey:"LWXVCCOAQYNXNX-UHFFFAOYSA-N","Exact Mass":57.9797708,"Molecular Formula":"ClLiO","Molecular Weight":58.4,"Monoisotopic Mass":57.9797708,Charge:0,"Easy Name":"Lithium hypochlorite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1Li1O1"},61698:{PUBCHEM:{CID:"61698","Compound Complexity":26.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;azide","IUPAC Name CAS-like Style":"Silver;azide","IUPAC Name Markup":"Silver;azide","IUPAC Name Preferred":"Silver;azide","IUPAC Name Systematic":"Silver;azide","IUPAC Name Traditional":"Silver;azide",InChI:"1S/Ag.N3/c;1-3-2/q+1;-1",InChIKey:"QBFXQJXHEPIJKW-UHFFFAOYSA-N","Exact Mass":148.91431,"Molecular Formula":"AgN3","Molecular Weight":149.889,"Monoisotopic Mass":148.91431,Charge:0,"Easy Name":"Silver azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag1N3"},61701:{PUBCHEM:{CID:"61701","Compound Complexity":208,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":1,InChI:"1S/2K.H2O6S4/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",InChIKey:"UVTKHPSJNFFIDG-UHFFFAOYSA-L","Exact Mass":301.7851854,"Molecular Formula":"K2O6S4","Molecular Weight":302.5,"Monoisotopic Mass":301.7851854,Charge:0,"Easy Name":"Potassium Tetrathionate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K2O6S4"},61702:{PUBCHEM:{CID:"61702","Compound Complexity":2.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;dichloroplatinum","IUPAC Name CAS-like Style":"Ammonia;dichloroplatinum","IUPAC Name Markup":"Azane;dichloroplatinum","IUPAC Name Preferred":"Azane;dichloroplatinum","IUPAC Name Systematic":"Azane;bis(chloranyl)platinum","IUPAC Name Traditional":"Ammonia;dichloroplatinum",InChI:"1S/2ClH.4H3N.Pt/h2*1H;4*1H3;/q;;;;;;+2/p-2",InChIKey:"KHCPSOMSJYAQSY-UHFFFAOYSA-L","Exact Mass":333.008696,"Molecular Formula":"Cl2H12N4Pt","Molecular Weight":334.1,"Monoisotopic Mass":333.008696,Charge:0,"Easy Name":"Tetraammine (dichloro)platinum","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl2H12N4Pt1"},61717:{PUBCHEM:{CID:"61717","Compound Complexity":76.5,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;dipotassium;tetracyanide","IUPAC Name CAS-like Style":"Dipotassium;nickel(2+);tetracyanide","IUPAC Name Markup":"Dipotassium;nickel(2+);tetracyanide","IUPAC Name Preferred":"Dipotassium;nickel(2+);tetracyanide","IUPAC Name Systematic":"Dipotassium;nickel(2+);tetracyanide","IUPAC Name Traditional":"Nickelous;dipotassium;tetracyanide",InChI:"1S/4CN.2K.Ni/c4*1-2;;;/q4*-1;2*+1;+2",InChIKey:"LXWJYIBQIPSFSE-UHFFFAOYSA-N","Exact Mass":239.875051,"Molecular Formula":"C4K2N4Ni","Molecular Weight":240.96,"Monoisotopic Mass":239.875051,Charge:0,"Easy Name":"Dipotassium tetracyanidonickelate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C4K2N4Ni1"},61720:{PUBCHEM:{CID:"61720","Compound Complexity":76.5,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;zinc;tetracyanide","IUPAC Name CAS-like Style":"Dipotassium;zinc;tetracyanide","IUPAC Name Markup":"Dipotassium;zinc;tetracyanide","IUPAC Name Preferred":"Dipotassium;zinc;tetracyanide","IUPAC Name Systematic":"Dipotassium;zinc;tetracyanide","IUPAC Name Traditional":"Dipotassium;zinc;tetracyanide",InChI:"1S/4CN.2K.Zn/c4*1-2;;;/q4*-1;2*+1;+2",InChIKey:"BQNXRYOAGXEBSH-UHFFFAOYSA-N","Exact Mass":245.868851,"Molecular Formula":"C4K2N4Zn","Molecular Weight":247.6,"Monoisotopic Mass":245.868851,Charge:0,"Easy Name":"Dipotassium;zinc;tetracyanide","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C4K2N4Zn1"},61745:{PUBCHEM:{CID:"61745","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;peroxide","IUPAC Name CAS-like Style":"Magnesium;peroxide","IUPAC Name Markup":"Magnesium;peroxide","IUPAC Name Preferred":"Magnesium;peroxide","IUPAC Name Systematic":"Magnesium;peroxide","IUPAC Name Traditional":"Magnesium;peroxide",InChI:"1S/Mg.O2/c;1-2/q+2;-2",InChIKey:"SPAGIJMPHSUYSE-UHFFFAOYSA-N","Exact Mass":55.9748709,"Molecular Formula":"MgO2","Molecular Weight":56.304,"Monoisotopic Mass":55.9748709,Charge:0,"Easy Name":"Magnesium peroxide","Easy Category":"Binary compound"},HSDB:{"Color And Form":{Value:"White cubic crystals"},Density:{Value:"Approximately 3.0 g/cu cm"},"Melting Point":{Value:"100 °C (decomposes)"},Odor:{Value:"Odorless"},Solubility:{Value:"Soluble in dilute acid solutions with formation of hydrogen peroxide"},Taste:{Value:"Tasteless"}},ReducedFormula:"Mg1O2"},61757:{PUBCHEM:{CID:"61757","Compound Complexity":7.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dichlorite","IUPAC Name CAS-like Style":"Calcium;dichlorite","IUPAC Name Markup":"Calcium;dichlorite","IUPAC Name Preferred":"Calcium;dichlorite","IUPAC Name Systematic":"Calcium;dichlorite","IUPAC Name Traditional":"Calcium;dichlorite",InChI:"1S/Ca.2ClHO2/c;2*2-1-3/h;2*(H,2,3)/q+2;;/p-2",InChIKey:"QXIKMJLSPJFYOI-UHFFFAOYSA-L","Exact Mass":173.8799547,"Molecular Formula":"CaCl2O4","Molecular Weight":174.98,"Monoisotopic Mass":173.8799547,Charge:0,"Easy Name":"Calcium dichlorite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1Cl2O4"},61767:{PUBCHEM:{CID:"61767","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;dioxido(dioxo)chromium","IUPAC Name CAS-like Style":"Dioxido(dioxo)chromium;nickel(2+)","IUPAC Name Markup":"Dioxido(dioxo)chromium;nickel(2+)","IUPAC Name Preferred":"Dioxido(dioxo)chromium;nickel(2+)","IUPAC Name Systematic":"Bis(oxidanidyl)-bis(oxidanylidene)chromium;nickel(2+)","IUPAC Name Traditional":"Nickelous;diketo(dioxido)chromium",InChI:"1S/Cr.Ni.4O/q;+2;;;2*-1",InChIKey:"QGAXAFUJMMYEPE-UHFFFAOYSA-N","Exact Mass":173.855505,"Molecular Formula":"CrNiO4","Molecular Weight":174.69,"Monoisotopic Mass":173.855505,Charge:0,"Easy Name":"Nickel (II) Chromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1Ni1O4"},61768:{PUBCHEM:{CID:"61768","Compound Complexity":272,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"Ammonia;diphosphono hydrogen phosphate","IUPAC Name CAS-like Style":"Ammonia;diphosphono hydrogen phosphate","IUPAC Name Markup":"Azane;diphosphono hydrogen phosphate","IUPAC Name Preferred":"Azane;diphosphono hydrogen phosphate","IUPAC Name Systematic":"Azane;diphosphono hydrogen phosphate","IUPAC Name Traditional":"Ammonia;diphosphono hydrogen phosphate",InChI:"1S/3H3N.H5O10P3/c;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h3*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)",InChIKey:"RRMCHXDSHYFFGG-UHFFFAOYSA-N","Exact Mass":308.98920466,"Molecular Formula":"H14N3O10P3","Molecular Weight":309.05,"Monoisotopic Mass":308.98920466,Charge:0,"Easy Name":"Triphosphoric acid triammoniate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H14N3O10P3"},61775:{PUBCHEM:{CID:"61775","Compound Complexity":19.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zirconium(4+);silicate","IUPAC Name CAS-like Style":"Zirconium(4+);silicate","IUPAC Name Markup":"Zirconium(4+);silicate","IUPAC Name Preferred":"Zirconium(4+);silicate","IUPAC Name Systematic":"Zirconium(4+);silicate","IUPAC Name Traditional":"Zirconium(4+);orthosilicate",InChI:"1S/O4Si.Zr/c1-5(2,3)4;/q-4;+4",InChIKey:"GFQYVLUOOAAOGM-UHFFFAOYSA-N","Exact Mass":181.861284,"Molecular Formula":"O4SiZr","Molecular Weight":183.31,"Monoisotopic Mass":181.861284,Charge:0,"Easy Name":"Zirconium (IV) silicate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O4Si1Zr1"},61844:{PUBCHEM:{CID:"61844","Compound Complexity":28.4,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Trihydroxy(methyl)silane","IUPAC Name CAS-like Style":"Trihydroxy(methyl)silane","IUPAC Name Markup":"Trihydroxy(methyl)silane","IUPAC Name Preferred":"Trihydroxy(methyl)silane","IUPAC Name Systematic":"Methyl-tris(oxidanyl)silane","IUPAC Name Traditional":"Trihydroxy(methyl)silane",InChI:"1S/CH6O3Si/c1-5(2,3)4/h2-4H,1H3",InChIKey:"ZJBHFQKJEBGFNL-UHFFFAOYSA-N","Exact Mass":94.008620587,"Molecular Formula":"CH6O3Si","Molecular Weight":94.14,"Monoisotopic Mass":94.008620587,Charge:0,"Easy Name":"Methylsilanetriol","Easy Category":"Organosilicon compounds"},HSDB:{},ReducedFormula:"C1H6O3Si1"},61847:{PUBCHEM:{CID:"61847","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper;ammonia","IUPAC Name CAS-like Style":"Copper;ammonia","IUPAC Name Markup":"Copper;azane","IUPAC Name Preferred":"Copper;azane","IUPAC Name Systematic":"Copper;azane","IUPAC Name Traditional":"Cupric;ammonia",InChI:"1S/Cu.4H3N/h;4*1H3/q+2;;;;",InChIKey:"QKSIFUGZHOUETI-UHFFFAOYSA-N","Exact Mass":131.035794,"Molecular Formula":"CuH12N4+2","Molecular Weight":131.67,"Monoisotopic Mass":131.035794,Charge:2,"Easy Name":"Tetraamminecopper (II) ion","Easy Category":"Anion"},HSDB:{},ReducedFormula:"+2Cu1H12N4"},61851:{PUBCHEM:{CID:"61851","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;hexafluorosilicon(2-)","IUPAC Name CAS-like Style":"Dipotassium;hexafluorosilicon(2-)","IUPAC Name Markup":"Dipotassium;hexafluorosilicon(2-)","IUPAC Name Preferred":"Dipotassium;hexafluorosilicon(2-)","IUPAC Name Systematic":"Dipotassium;hexakis(fluoranyl)silicon(2-)","IUPAC Name Traditional":"Dipotassium;hexafluorosilicon(2-)",InChI:"1S/F6Si.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",InChIKey:"UUHPPUWEDCVPCO-UHFFFAOYSA-N","Exact Mass":219.8947585,"Molecular Formula":"F6K2Si","Molecular Weight":220.272,"Monoisotopic Mass":219.8947585,Charge:0,"Easy Name":"Dipotassium hexafluorosilicate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F6K2Si1"},61856:{PUBCHEM:{CID:"61856","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;hexachloroplatinum(2-)","IUPAC Name CAS-like Style":"Dipotassium;hexachloroplatinum(2-)","IUPAC Name Markup":"Dipotassium;hexachloroplatinum(2-)","IUPAC Name Preferred":"Dipotassium;hexachloroplatinum(2-)","IUPAC Name Systematic":"Dipotassium;hexakis(chloranyl)platinum(2-)","IUPAC Name Traditional":"Dipotassium;hexachloroplatinum(2-)",InChI:"1S/6ClH.2K.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6",InChIKey:"DPAIVKJGTXERIM-UHFFFAOYSA-H","Exact Mass":484.702373,"Molecular Formula":"Cl6K2Pt","Molecular Weight":486,"Monoisotopic Mass":482.705323,Charge:0,"Easy Name":"Potassium hexachloroplatinate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6K2Pt1"},61857:{PUBCHEM:{CID:"61857","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexachloroplatinum(2-)","IUPAC Name CAS-like Style":"Hexachloroplatinum(2-)","IUPAC Name Markup":"Hexachloroplatinum(2-)","IUPAC Name Preferred":"Hexachloroplatinum(2-)","IUPAC Name Systematic":"Hexakis(chloranyl)platinum(2-)","IUPAC Name Traditional":"Hexachloroplatinum(2-)",InChI:"1S/6ClH.Pt/h6*1H;/q;;;;;;+4/p-6",InChIKey:"GBFHNZZOZWQQPA-UHFFFAOYSA-H","Exact Mass":406.77496,"Molecular Formula":"Cl6Pt-2","Molecular Weight":407.8,"Monoisotopic Mass":404.777911,Charge:-2,"Easy Name":"Hexachloroplatinate (2-)","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2Cl6Pt1"},61859:{PUBCHEM:{CID:"61859","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexachloroplatinum(2-);hydron","IUPAC Name CAS-like Style":"Hexachloroplatinum(2-);hydron","IUPAC Name Markup":"Hexachloroplatinum(2-);hydron","IUPAC Name Preferred":"Hexachloroplatinum(2-);hydron","IUPAC Name Systematic":"Hexakis(chloranyl)platinum(2-);hydron","IUPAC Name Traditional":"Hexachloroplatinum(2-);hydron",InChI:"1S/6ClH.Pt/h6*1H;/q;;;;;;+4/p-4",InChIKey:"GBFHNZZOZWQQPA-UHFFFAOYSA-J","Exact Mass":408.79061,"Molecular Formula":"Cl6H2Pt","Molecular Weight":409.8,"Monoisotopic Mass":406.793561,Charge:0,"Easy Name":"Chloroplatinic acid","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6H2Pt1"},61917:{PUBCHEM:{CID:"61917","Compound Complexity":68.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2,3-dimethylpentanal","IUPAC Name CAS-like Style":"2,3-dimethylpentanal","IUPAC Name Markup":"2,3-dimethylpentanal","IUPAC Name Preferred":"2,3-dimethylpentanal","IUPAC Name Systematic":"2,3-dimethylpentanal","IUPAC Name Traditional":"2,3-dimethylvaleraldehyde",InChI:"1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3",InChIKey:"BOHKXQAJUVXBDQ-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":114.10446507,"Molecular Formula":"C7H14O","Molecular Weight":114.19,"Monoisotopic Mass":114.10446507,Charge:0,"Easy Name":"2, 3-Dimethylpentanal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C7H14O1"},61973:{PUBCHEM:{CID:"61973","Compound Complexity":383,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":5,"Rotatable Bond":7,"IUPAC Name Allowed":"2-phosphonobutane-1,2,4-tricarboxylic acid","IUPAC Name CAS-like Style":"2-phosphonobutane-1,2,4-tricarboxylic acid","IUPAC Name Markup":"2-phosphonobutane-1,2,4-tricarboxylic acid","IUPAC Name Preferred":"2-phosphonobutane-1,2,4-tricarboxylic acid","IUPAC Name Systematic":"2-phosphonobutane-1,2,4-tricarboxylic acid","IUPAC Name Traditional":"2-phosphonobutane-1,2,4-tricarboxylic acid",InChI:"1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)",InChIKey:"SZHQPBJEOCHCKM-UHFFFAOYSA-N","Log P":-2.8,"Exact Mass":270.01406893,"Molecular Formula":"C7H11O9P","Molecular Weight":270.13,"Monoisotopic Mass":270.01406893,Charge:0,"Easy Name":"PBTC","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H11O9P1"},61996:{PUBCHEM:{CID:"61996","Compound Complexity":426,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"N-[3-methyl-1-(2-phenylethyl)-4-piperidyl]-N-phenyl-propanamide","IUPAC Name CAS-like Style":"N-[3-methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenylpropanamide","IUPAC Name Markup":"N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide","IUPAC Name Preferred":"N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide","IUPAC Name Systematic":"N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenyl-propanamide","IUPAC Name Traditional":"N-(3-methyl-1-phenethyl-4-piperidyl)-N-phenyl-propionamide",InChI:"1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3",InChIKey:"MLQRZXNZHAOCHQ-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":350.2358136,"Molecular Formula":"C23H30N2O","Molecular Weight":350.5,"Monoisotopic Mass":350.2358136,Charge:0,"Easy Name":"3-Methylfentanyl","Easy Category":"Heterocyclic compound"},HSDB:{Solubility:{Value:"In water, 1.295 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"2.9X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C23H30N2O1"},62065:{PUBCHEM:{CID:"62065","Compound Complexity":191,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"1-(4-bromo-2,5-dimethoxy-phenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(4-bromo-2,5-dimethoxyphenyl)-2-propanamine","IUPAC Name Markup":"1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine","IUPAC Name Preferred":"1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine","IUPAC Name Systematic":"1-(4-bromanyl-2,5-dimethoxy-phenyl)propan-2-amine","IUPAC Name Traditional":"[2-(4-bromo-2,5-dimethoxy-phenyl)-1-methyl-ethyl]amine",InChI:"1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3",InChIKey:"FXMWUTGUCAKGQL-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":273.03644,"Molecular Formula":"C11H16BrNO2","Molecular Weight":274.15,"Monoisotopic Mass":273.03644,Charge:0,"Easy Name":"2, 5-Dimethoxy-4-bromoamphetamine","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C11H16N1O2"},62204:{PUBCHEM:{CID:"62204","Compound Complexity":42,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(3E)-penta-1,3-diene","IUPAC Name CAS-like Style":"(3E)-penta-1,3-diene","IUPAC Name Markup":"(3E)-penta-1,3-diene","IUPAC Name Preferred":"(3E)-penta-1,3-diene","IUPAC Name Systematic":"(3E)-penta-1,3-diene","IUPAC Name Traditional":"(3E)-penta-1,3-diene",InChI:"1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+",InChIKey:"PMJHHCWVYXUKFD-SNAWJCMRSA-N","Log P":2.4,"Exact Mass":68.062600258,"Molecular Formula":"C5H8","Molecular Weight":68.12,"Monoisotopic Mass":68.062600258,Charge:0,"Easy Name":"Trans-Piperylene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"42 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"0.6760 @ 20 °C/4 °C"},"Melting Point":{Value:"-87.5 °C"},"NFPA Hazard Classification":{Value:"0-4-2- ̵W̵"},"Refractive Index":{Value:"MAX ABSORPTION (ALCOHOL): 223.5 NM (LOG E= 4.36); INDEX OF REFRACTION: 1.4301 @ 20 °C/D"},Solubility:{Value:"MISCIBLE WITH ALCOHOL, ETHER, ACETONE, BENZENE"},Uses:{Value:"/co-monomer in production of/ polymers, maleic anhydride adducts; intermediate."},"Vapor Density":{Value:"2.35 (AIR= 1)"},"Vapor Pressure":{Value:"405 mm Hg @ 25 °C"}},ReducedFormula:"C5H8"},62258:{PUBCHEM:{CID:"62258","Compound Complexity":139,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S)-2-amino-1-phenyl-propan-1-one","IUPAC Name CAS-like Style":"(2S)-2-amino-1-phenyl-1-propanone","IUPAC Name Markup":"(2S)-2-amino-1-phenylpropan-1-one","IUPAC Name Preferred":"(2S)-2-amino-1-phenylpropan-1-one","IUPAC Name Systematic":"(2S)-2-azanyl-1-phenyl-propan-1-one","IUPAC Name Traditional":"(2S)-2-amino-1-phenyl-propan-1-one",InChI:"1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1",InChIKey:"PUAQLLVFLMYYJJ-ZETCQYMHSA-N","Log P":1.1,"Exact Mass":149.08406398,"Molecular Formula":"C9H11NO","Molecular Weight":149.19,"Monoisotopic Mass":149.08406398,Charge:0,"Easy Name":"Cathinone","Easy Category":"Phenethylamines"},HSDB:{"Color And Form":{Value:"Pale yellow leaf from petroleum ether"},"Melting Point":{Value:"46.5 °C"},Solubility:{Value:"Very soluble in ether, ethanol"},"Vapor Pressure":{Value:"1.89X10-2 mm Hg at 25 °C (est)"}},ReducedFormula:"C9H11N1O1"},62277:{PUBCHEM:{CID:"62277","Compound Complexity":376,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"1-[1,3-bis(hydroxymethyl)-2,5-dioxo-imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea","IUPAC Name CAS-like Style":"1-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-1,3-bis(hydroxymethyl)urea","IUPAC Name Markup":"1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea","IUPAC Name Preferred":"1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea","IUPAC Name Systematic":"1-[1,3-bis(hydroxymethyl)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea","IUPAC Name Traditional":"1-(2,5-diketo-1,3-dimethylol-imidazolidin-4-yl)-1,3-dimethylol-urea",InChI:"1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)",InChIKey:"SOROIESOUPGGFO-UHFFFAOYSA-N","Log P":-2.5,"Exact Mass":278.08624881,"Molecular Formula":"C8H14N4O7","Molecular Weight":278.22,"Monoisotopic Mass":278.08624881,Charge:0,"Easy Name":"Diazolidinyl urea","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C8H14N4O7"},62324:{PUBCHEM:{CID:"62324","Compound Complexity":42.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Propanoyl chloride","IUPAC Name CAS-like Style":"Propanoyl chloride","IUPAC Name Markup":"Propanoyl chloride","IUPAC Name Preferred":"Propanoyl chloride","IUPAC Name Systematic":"Propanoyl chloride","IUPAC Name Traditional":"Propionyl chloride",InChI:"1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3",InChIKey:"RZWZRACFZGVKFM-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":92.0028925,"Molecular Formula":"C3H5ClO","Molecular Weight":92.52,"Monoisotopic Mass":92.0028925,Charge:0,"Easy Name":"Propanoyl chloride","Easy Category":"Acyl chloride"},HSDB:{"Boiling Point":{Value:"80 °C"},"Color And Form":{Value:"Colorless liquid"},Density:{Value:"1.0646 g/cu cm at 20 °C"},"Melting Point":{Value:"-94 °C"},"NFPA Hazard Classification":{Value:"3-3-2- ̵W̵"},Odor:{Value:"Pungent odor"},"Refractive Index":{Value:"Index of refraction: 1.4032 at 20 °C"},Solubility:{Value:"Soluble in ether"},"Vapor Density":{Value:"3.2 (Air = 1)"},"Vapor Pressure":{Value:"97 mm Hg at 25 °C (est)"}},ReducedFormula:"C3Cl1H5O1"},62348:{PUBCHEM:{CID:"62348","Compound Complexity":116,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"4-(hydroxymethyl)-2-methoxy-phenol","IUPAC Name CAS-like Style":"4-(hydroxymethyl)-2-methoxyphenol","IUPAC Name Markup":"4-(hydroxymethyl)-2-methoxyphenol","IUPAC Name Preferred":"4-(hydroxymethyl)-2-methoxyphenol","IUPAC Name Systematic":"4-(hydroxymethyl)-2-methoxy-phenol","IUPAC Name Traditional":"2-methoxy-4-methylol-phenol",InChI:"1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3",InChIKey:"ZENOXNGFMSCLLL-UHFFFAOYSA-N","Log P":0,"Exact Mass":154.06299418,"Molecular Formula":"C8H10O3","Molecular Weight":154.16,"Monoisotopic Mass":154.06299418,Charge:0,"Easy Name":"Vanillyl alcohol","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C8H10O3"},62392:{PUBCHEM:{CID:"62392","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxobarium","IUPAC Name CAS-like Style":"Oxobarium","IUPAC Name Markup":"Oxobarium","IUPAC Name Preferred":"Oxobarium","IUPAC Name Systematic":"Oxidanylidenebarium","IUPAC Name Traditional":"Ketobarium",InChI:"1S/Ba.O",InChIKey:"QVQLCTNNEUAWMS-UHFFFAOYSA-N","Exact 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Mass":233.942715,"Molecular Formula":"HgS","Molecular Weight":232.66,"Monoisotopic Mass":233.942715,Charge:0,"Easy Name":"Mercury sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Hg1S1"},62425:{PUBCHEM:{CID:"62425","Compound Complexity":98,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dibenzoate","IUPAC Name CAS-like Style":"Calcium;dibenzoate","IUPAC Name Markup":"Calcium;dibenzoate","IUPAC Name Preferred":"Calcium;dibenzoate","IUPAC Name Systematic":"Calcium;dibenzoate","IUPAC Name Traditional":"Calcium;dibenzoate",InChI:"1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",InChIKey:"NSQPPSOSXWOZNH-UHFFFAOYSA-L","Exact Mass":282.0204997,"Molecular Formula":"C14H10CaO4","Molecular Weight":282.3,"Monoisotopic Mass":282.0204997,Charge:0,"Easy Name":"Calcium benzoate","Easy Category":"Preservative"},HSDB:{},ReducedFormula:"C14Ca1H10O4"},62442:{PUBCHEM:{CID:"62442","Compound Complexity":111,"Hydrogen Bond 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Markup":"Silver;oxidoazaniumylidynemethane","IUPAC Name Preferred":"Silver;oxidoazaniumylidynemethane","IUPAC Name Systematic":"Silver;oxidanidylazaniumylidynemethane","IUPAC Name Traditional":"Silver;fulminate",InChI:"1S/CNO.Ag/c1-2-3;/q-1;+1",InChIKey:"AZPZMMZIYMVPCK-UHFFFAOYSA-N","Exact Mass":148.90308,"Molecular Formula":"CAgNO","Molecular Weight":149.885,"Monoisotopic Mass":148.90308,Charge:0,"Easy Name":"Silver fulminate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag1C1N1O1"},62586:{PUBCHEM:{CID:"62586","Compound Complexity":183,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentafluoro-(pentafluoro-lambda6-sulfanyl)-lambda6-sulfane","IUPAC Name CAS-like Style":"Pentafluoro-(pentafluoro-lambda6-sulfanyl)-lambda6-sulfane","IUPAC Name Markup":"Pentafluoro-(pentafluoro-λ6-sulfanyl)-λ6-sulfane","IUPAC Name Preferred":"Pentafluoro-(pentafluoro-lambda6-sulfanyl)-lambda6-sulfane","IUPAC Name Systematic":"Pentakis(fluoranyl)-[pentakis(fluoranyl)-lambda6-sulfanyl]-lambda6-sulfane","IUPAC Name Traditional":"Pentafluoro(pentafluoropersulfuranyl)-lambda6-sulfane",InChI:"1S/F10S2/c1-11(2,3,4,5)12(6,7,8,9)10",InChIKey:"BPFZRKQDXVZTFD-UHFFFAOYSA-N","Log P":7.2,"Exact Mass":253.92817398,"Molecular Formula":"F10S2","Molecular Weight":254.12,"Monoisotopic Mass":253.92817398,Charge:0,"Easy Name":"Disulfur decafluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"30 °C; decomposes at 150 °C"},"Color And Form":{Value:"Colorless liquid or gas (above 84 °F)"},Density:{Value:"2.08 g/100 g water"},"Melting Point":{Value:"-52.7 °C"},Odor:{Value:"Odor llike sulfur dioxide"},Solubility:{Value:"Insoluble in water"},"Vapor Density":{Value:"Relative density of gas: 8.77 (Air = 1)"},"Vapor Pressure":{Value:"VP: 561 mm Hg"}},ReducedFormula:"F10S2"},62632:{PUBCHEM:{CID:"62632","Compound Complexity":7.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;triformate","IUPAC Name CAS-like Style":"Aluminum;triformate","IUPAC Name Markup":"Aluminum;triformate","IUPAC Name Preferred":"Aluminum;triformate","IUPAC Name Systematic":"Aluminum;trimethanoate","IUPAC Name Traditional":"Aluminum;triformate",InChI:"1S/3CH2O2.Al/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3",InChIKey:"MJWPFSQVORELDX-UHFFFAOYSA-K","Exact Mass":161.9745012,"Molecular Formula":"C3H3AlO6","Molecular Weight":162.03,"Monoisotopic Mass":161.9745012,Charge:0,"Easy Name":"Aluminium formate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Al1C3H3O6"},62638:{PUBCHEM:{CID:"62638","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tellurium dioxide","IUPAC Name CAS-like Style":"Tellurium dioxide","IUPAC Name Markup":"Tellurium dioxide","IUPAC Name Preferred":"Tellurium dioxide","IUPAC Name Systematic":"Tellurium dioxide","IUPAC Name Traditional":"Tellurium dioxide",InChI:"1S/O2Te/c1-3-2",InChIKey:"LAJZODKXOMJMPK-UHFFFAOYSA-N","Exact Mass":161.896052,"Molecular Formula":"O2Te","Molecular Weight":159.6,"Monoisotopic Mass":161.896052,Charge:0,"Easy Name":"Tellurium dioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O2Te1"},62643:{PUBCHEM:{CID:"62643","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Stannous;sulfate","IUPAC Name CAS-like Style":"Tin(2+);sulfate","IUPAC Name Markup":"Tin(2+);sulfate","IUPAC Name Preferred":"Tin(2+);sulfate","IUPAC Name Systematic":"Tin(2+);sulfate","IUPAC Name Traditional":"Stannous;sulfate",InChI:"1S/H2O4S.Sn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",InChIKey:"OBBXFSIWZVFYJR-UHFFFAOYSA-L","Exact Mass":215.853932,"Molecular Formula":"O4SSn","Molecular Weight":214.78,"Monoisotopic Mass":215.853932,Charge:0,"Easy Name":"Tin (II) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O4S1Sn1"},62646:{PUBCHEM:{CID:"62646","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichlorotitanium","IUPAC Name CAS-like Style":"Trichlorotitanium","IUPAC Name Markup":"Trichlorotitanium","IUPAC Name Preferred":"Trichlorotitanium","IUPAC Name Systematic":"Tris(chloranyl)titanium","IUPAC Name Traditional":"Trichlorotitanium",InChI:"1S/3ClH.Ti/h3*1H;/q;;;+3/p-3",InChIKey:"YONPGGFAJWQGJC-UHFFFAOYSA-K","Exact Mass":152.854499,"Molecular Formula":"Cl3Ti","Molecular Weight":154.22,"Monoisotopic Mass":152.854499,Charge:0,"Easy Name":"Titanium (III) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl3Ti1"},62647:{PUBCHEM:{CID:"62647","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichlorovanadium","IUPAC Name CAS-like Style":"Trichlorovanadium","IUPAC Name Markup":"Trichlorovanadium","IUPAC Name Preferred":"Trichlorovanadium","IUPAC Name Systematic":"Tris(chloranyl)vanadium","IUPAC Name Traditional":"Trichlorovanadium",InChI:"1S/3ClH.V/h3*1H;/q;;;+3/p-3",InChIKey:"HQYCOEXWFMFWLR-UHFFFAOYSA-K","Exact Mass":155.850515,"Molecular Formula":"Cl3V","Molecular Weight":157.3,"Monoisotopic Mass":155.850515,Charge:0,"Easy Name":"Vanadium (III) chloride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cl3V1"},62648:{PUBCHEM:{CID:"62648","Compound Complexity":206,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"Diammonium;sulfonatooxy sulfate","IUPAC Name CAS-like Style":"Diammonium;sulfonatooxy sulfate","IUPAC Name Markup":"Diazanium;sulfonatooxy sulfate","IUPAC Name Preferred":"Diazanium;sulfonatooxy sulfate","IUPAC Name Systematic":"Diazanium;sulfonatooxy sulfate","IUPAC Name Traditional":"Diammonium;sulfato sulfate",InChI:"1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)",InChIKey:"ROOXNKNUYICQNP-UHFFFAOYSA-N","Exact Mass":227.97220757,"Molecular Formula":"H8N2O8S2","Molecular Weight":228.21,"Monoisotopic Mass":227.97220757,Charge:0,"Easy Name":"Ammonium persulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Platelike or prismatic (monoclinic) crystals, or white granular powder"},Density:{Value:"1.982 g/cu cm"},"Melting Point":{Value:"Decomposes at 120 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Solubility in water: 83.5 g/100 g water at 25 °C"}},ReducedFormula:"H8N2O8S2"},62655:{PUBCHEM:{CID:"62655","Compound Complexity":206,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Disodium;sulfonatooxy sulfate","IUPAC Name CAS-like Style":"Disodium;sulfonatooxy sulfate","IUPAC Name Markup":"Disodium;sulfonatooxy sulfate","IUPAC Name Preferred":"Disodium;sulfonatooxy sulfate","IUPAC Name Systematic":"Disodium;sulfonatooxy sulfate","IUPAC Name Traditional":"Disodium;sulfato sulfate",InChI:"1S/2Na.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",InChIKey:"CHQMHPLRPQMAMX-UHFFFAOYSA-L","Exact Mass":237.88299787,"Molecular Formula":"Na2O8S2","Molecular Weight":238.11,"Monoisotopic Mass":237.88299787,Charge:0,"Easy Name":"Sodium persulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2O8S2"},62656:{PUBCHEM:{CID:"62656","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Fluorosilver","IUPAC Name CAS-like Style":"Fluorosilver","IUPAC Name Markup":"Fluorosilver","IUPAC Name Preferred":"Fluorosilver","IUPAC Name Systematic":"Fluoranylsilver","IUPAC Name Traditional":"Fluorosilver",InChI:"1S/Ag.FH/h;1H/q+1;/p-1",InChIKey:"REYHXKZHIMGNSE-UHFFFAOYSA-M","Exact Mass":125.90349,"Molecular Formula":"AgF","Molecular Weight":126.867,"Monoisotopic Mass":125.90349,Charge:0,"Easy Name":"Silver (I) fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag1F1"},62657:{PUBCHEM:{CID:"62657","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tripotassium;phosphate","IUPAC Name CAS-like Style":"Tripotassium;phosphate","IUPAC Name Markup":"Tripotassium;phosphate","IUPAC Name Preferred":"Tripotassium;phosphate","IUPAC Name Systematic":"Tripotassium;phosphate","IUPAC Name Traditional":"Tripotassium;phosphate",InChI:"1S/3K.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",InChIKey:"LWIHDJKSTIGBAC-UHFFFAOYSA-K","Exact Mass":211.8445399,"Molecular Formula":"K3O4P","Molecular Weight":212.266,"Monoisotopic Mass":211.8445399,Charge:0,"Easy Name":"Tripotassium phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K3O4P1"},62658:{PUBCHEM:{CID:"62658","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;hypochlorite","IUPAC 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salt"},HSDB:{},ReducedFormula:"Ag2Cr1O4"},62673:{PUBCHEM:{CID:"62673","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromic;phosphate","IUPAC Name CAS-like Style":"Chromium(3+);phosphate","IUPAC Name Markup":"Chromium(3+);phosphate","IUPAC Name Preferred":"Chromium(3+);phosphate","IUPAC Name Systematic":"Chromium(3+);phosphate","IUPAC Name Traditional":"Chromic;phosphate",InChI:"1S/Cr.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",InChIKey:"IKZBVTPSNGOVRJ-UHFFFAOYSA-K","Exact Mass":146.893925,"Molecular Formula":"CrO4P","Molecular Weight":146.97,"Monoisotopic Mass":146.893925,Charge:0,"Easy Name":"Chromium orthophosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1O4P1"},62674:{PUBCHEM:{CID:"62674","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;nitrate","IUPAC Name CAS-like Style":"Cesium;nitrate","IUPAC Name 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acids"},HSDB:{},ReducedFormula:"H6O6Te1"},62695:{PUBCHEM:{CID:"62695","Compound Complexity":15.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(E)-but-2-ene","IUPAC Name CAS-like Style":"(E)-2-butene","IUPAC Name Markup":"(E)-but-2-ene","IUPAC Name Preferred":"(E)-but-2-ene","IUPAC Name Systematic":"(E)-but-2-ene","IUPAC Name Traditional":"(E)-but-2-ene",InChI:"1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+",InChIKey:"IAQRGUVFOMOMEM-ONEGZZNKSA-N","Log P":2.3,"Exact Mass":56.062600258,"Molecular Formula":"C4H8","Molecular Weight":56.11,"Monoisotopic Mass":56.062600258,Charge:0,"Easy Name":"Trans-2-butene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"3.73 °C at 760 mm Hg /cis-2-Butene/"},"Color And Form":{Value:"Colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 428.63 K; Critical pressure: 4.104 MPa"},Density:{Value:"0.616 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"22.17 kJ/mol"},"Melting Point":{Value:"-139.3 °C /cis-2-Butene/"},"NFPA Hazard Classification":{Value:"1-4-0"},Odor:{Value:"Slightly aromatic odor"},"Refractive Index":{Value:"Index of refraction: 1.3931 at 25 °C"},Solubility:{Value:"In water, 594 mg/L at 25 °C (est)"},Uses:{Value:"INT FOR BUTADIENE, HEPTENES, SEC-BUTYL ALC, BUTYLENE OXIDE; PRODN OF HIGH-DENSITY POLYETHYLENE & POLYMER GASOLINES"},"Vapor Density":{Value:"1.9 (Air = 1)"},"Vapor Pressure":{Value:"1600 mm Hg at 25 °C /cis-2-Butene/"},Viscosity:{Value:"0.00782 mPa"}},ReducedFormula:"C4H8"},62714:{PUBCHEM:{CID:"62714","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;hydride","IUPAC Name CAS-like Style":"Lithium;hydride","IUPAC Name Markup":"Lithium;hydride","IUPAC Name Preferred":"Lithium;hydride","IUPAC Name Systematic":"Lithium;hydride","IUPAC Name Traditional":"Lithium;hydride",InChI:"1S/Li.H/q+1;-1",InChIKey:"SRTHRWZAMDZJOS-UHFFFAOYSA-N","Exact 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The strongest base known"},Solubility:{Value:"Soluble in ethanol"}},ReducedFormula:"Cs1H1O1"},62774:{PUBCHEM:{CID:"62774","Compound Complexity":18.8,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;ammonia;nitrate","IUPAC Name CAS-like Style":"Silver;ammonia;nitrate","IUPAC Name Markup":"Silver;azane;nitrate","IUPAC Name Preferred":"Silver;azane;nitrate","IUPAC Name Systematic":"Silver;azane;nitrate","IUPAC Name Traditional":"Silver;ammonia;nitrate",InChI:"1S/Ag.NO3.2H3N/c;2-1(3)4;;/h;;2*1H3/q+1;-1;;",InChIKey:"HAAYBYDROVFKPU-UHFFFAOYSA-N","Exact Mass":202.94601,"Molecular Formula":"AgH6N3O3","Molecular Weight":203.93,"Monoisotopic Mass":202.94601,Charge:0,"Easy Name":"Diamminesilver (1+) nitrate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Ag1H6N3O3"},62820:{PUBCHEM:{CID:"62820","Compound Complexity":113,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name 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Preferred":"3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one","IUPAC Name Systematic":"3-[2-oxidanylidene-3-[(2S,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one","IUPAC Name Traditional":"3-[3-[(2S,3R)-3-hydroxy-2-piperidyl]-2-keto-propyl]quinazolin-4-one",InChI:"1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m0/s1",InChIKey:"FWVHWDSCPKXMDB-LSDHHAIUSA-N","Log P":.1,"Exact Mass":301.14264148,"Molecular Formula":"C16H19N3O3","Molecular Weight":301.34,"Monoisotopic Mass":301.14264148,Charge:0,"Easy Name":"Febrifugine","Easy Category":"Quinazolinones"},HSDB:{},ReducedFormula:"C16H19N3O3"},63338:{PUBCHEM:{CID:"63338","Compound Complexity":430,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3-(2,6-dichlorophenyl)-2-ethyl-quinazolin-4-one","IUPAC Name CAS-like Style":"3-(2,6-dichlorophenyl)-2-ethyl-4-quinazolinone","IUPAC Name Markup":"3-(2,6-dichlorophenyl)-2-ethylquinazolin-4-one","IUPAC Name Preferred":"3-(2,6-dichlorophenyl)-2-ethylquinazolin-4-one","IUPAC Name Systematic":"3-[2,6-bis(chloranyl)phenyl]-2-ethyl-quinazolin-4-one","IUPAC Name Traditional":"3-(2,6-dichlorophenyl)-2-ethyl-quinazolin-4-one",InChI:"1S/C16H12Cl2N2O/c1-2-14-19-13-9-4-3-6-10(13)16(21)20(14)15-11(17)7-5-8-12(15)18/h3-9H,2H2,1H3",InChIKey:"SONHVLIDLXLSOL-UHFFFAOYSA-N","Log P":4.2,"Exact Mass":318.0326684,"Molecular Formula":"C16H12Cl2N2O","Molecular Weight":319.2,"Monoisotopic Mass":318.0326684,Charge:0,"Easy Name":"Cloroqualone","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C16Cl2H12N2O1"},63339:{PUBCHEM:{CID:"63339","Compound Complexity":516,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3-(2-methoxy-4-nitro-phenyl)-2-methyl-quinazolin-4-one","IUPAC Name CAS-like Style":"3-(2-methoxy-4-nitrophenyl)-2-methyl-4-quinazolinone","IUPAC Name Markup":"3-(2-methoxy-4-nitrophenyl)-2-methylquinazolin-4-one","IUPAC Name Preferred":"3-(2-methoxy-4-nitrophenyl)-2-methylquinazolin-4-one","IUPAC Name Systematic":"3-(2-methoxy-4-nitro-phenyl)-2-methyl-quinazolin-4-one","IUPAC Name Traditional":"3-(2-methoxy-4-nitro-phenyl)-2-methyl-quinazolin-4-one",InChI:"1S/C16H13N3O4/c1-10-17-13-6-4-3-5-12(13)16(20)18(10)14-8-7-11(19(21)22)9-15(14)23-2/h3-9H,1-2H3",InChIKey:"RZHHDMJWDYJXAW-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":311.09060591,"Molecular Formula":"C16H13N3O4","Molecular Weight":311.29,"Monoisotopic Mass":311.09060591,Charge:0,"Easy Name":"Nitromethaqualone","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C16H13N3O4"},63382:{PUBCHEM:{CID:"63382","Compound Complexity":417,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"3-(2,4-dimethylphenyl)-2-methyl-quinazolin-4-one","IUPAC Name CAS-like Style":"3-(2,4-dimethylphenyl)-2-methyl-4-quinazolinone","IUPAC Name Markup":"3-(2,4-dimethylphenyl)-2-methylquinazolin-4-one","IUPAC Name Preferred":"3-(2,4-dimethylphenyl)-2-methylquinazolin-4-one","IUPAC Name Systematic":"3-(2,4-dimethylphenyl)-2-methyl-quinazolin-4-one","IUPAC Name Traditional":"3-(2,4-dimethylphenyl)-2-methyl-quinazolin-4-one",InChI:"1S/C17H16N2O/c1-11-8-9-16(12(2)10-11)19-13(3)18-15-7-5-4-6-14(15)17(19)20/h4-10H,1-3H3",InChIKey:"MPMDMUROZIYIIM-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":264.12626314,"Molecular Formula":"C17H16N2O","Molecular Weight":264.32,"Monoisotopic Mass":264.12626314,Charge:0,"Easy Name":"Methylmethaqualone","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C17H16N2O1"},64112:{PUBCHEM:{CID:"64112","Compound Complexity":330,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"3-(2,3-dihydroxypropyl)-2-methyl-quinazolin-4-one","IUPAC Name CAS-like Style":"3-(2,3-dihydroxypropyl)-2-methyl-4-quinazolinone","IUPAC Name Markup":"3-(2,3-dihydroxypropyl)-2-methylquinazolin-4-one","IUPAC Name Preferred":"3-(2,3-dihydroxypropyl)-2-methylquinazolin-4-one","IUPAC Name Systematic":"3-[2,3-bis(oxidanyl)propyl]-2-methyl-quinazolin-4-one","IUPAC Name Traditional":"3-glyceryl-2-methyl-quinazolin-4-one",InChI:"1S/C12H14N2O3/c1-8-13-11-5-3-2-4-10(11)12(17)14(8)6-9(16)7-15/h2-5,9,15-16H,6-7H2,1H3",InChIKey:"NTGLQWGMESPVBV-UHFFFAOYSA-N","Log P":-.4,"Exact Mass":234.10044232,"Molecular Formula":"C12H14N2O3","Molecular Weight":234.25,"Monoisotopic Mass":234.10044232,Charge:0,"Easy Name":"Diproqualone","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C12H14N2O3"},64655:{PUBCHEM:{CID:"64655","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;phosphate","IUPAC Name CAS-like Style":"Aluminum;phosphate","IUPAC Name Markup":"Aluminum;phosphate","IUPAC Name Preferred":"Aluminum;phosphate","IUPAC Name Systematic":"Aluminum;phosphate","IUPAC Name Traditional":"Aluminum;phosphate",InChI:"1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",InChIKey:"ILRRQNADMUWWFW-UHFFFAOYSA-K","Exact Mass":121.9349589,"Molecular Formula":"AlO4P","Molecular Weight":121.953,"Monoisotopic Mass":121.9349589,Charge:0,"Easy Name":"Aluminium phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Al1O4P1"},64685:{PUBCHEM:{CID:"64685","Compound Complexity":185,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"1,7,7-trimethylnorbornan-2-ol","IUPAC Name CAS-like Style":"1,7,7-trimethyl-2-bicyclo[2.2.1]heptanol","IUPAC Name Markup":"1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Preferred":"1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Systematic":"1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Traditional":"1,7,7-trimethylnorbornan-2-ol",InChI:"1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",InChIKey:"DTGKSKDOIYIVQL-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":"4, 7, 7-trimethylbicyclo[2.2.1]heptan-3-ol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"212 °C"},"Color And Form":{Value:"White to off-white crystals"},"Melting Point":{Value:"202 °C"},"NFPA Hazard Classification":{Value:"2-2-0"},Odor:{Value:"Piney, camphor-like odor"},Solubility:{Value:"In water, 738 mg/L at 25 °C"},Taste:{Value:"Burning taste somewhat reminiscent of mint"},Uses:{Value:"In flavors and fragrances; in the manufacture of its esters."},"Vapor Pressure":{Value:"5.02X10-2 mm Hg at 25 °C"}},ReducedFormula:"C10H18O1"},64689:{PUBCHEM:{CID:"64689","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3R,4S,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",InChIKey:"WQZGKKKJIJFFOK-VFUOTHLCSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Glucopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},64695:{PUBCHEM:{CID:"64695","Compound Complexity":373,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate","IUPAC Name CAS-like Style":"2-phenyl-2-propenoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester","IUPAC Name Markup":"(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate","IUPAC Name Preferred":"(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate","IUPAC Name Systematic":"(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate","IUPAC Name Traditional":"2-phenylacrylic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester",InChI:"1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3",InChIKey:"WPUIZWXOSDVQJU-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":271.15722892,"Molecular Formula":"C17H21NO2","Molecular Weight":271.35,"Monoisotopic Mass":271.15722892,Charge:0,"Easy Name":"Apoatropine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C17H21N1O2"},64735:{PUBCHEM:{CID:"64735","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichlorolanthanum","IUPAC Name CAS-like Style":"Trichlorolanthanum","IUPAC Name Markup":"Trichlorolanthanum","IUPAC Name Preferred":"Trichlorolanthanum","IUPAC Name Systematic":"Tris(chloranyl)lanthanum","IUPAC Name Traditional":"Trichlorolanthanum",InChI:"1S/3ClH.La/h3*1H;/q;;;+3/p-3",InChIKey:"ICAKDTKJOYSXGC-UHFFFAOYSA-K","Exact Mass":243.81292,"Molecular Formula":"Cl3La","Molecular Weight":245.26,"Monoisotopic Mass":243.81292,Charge:0,"Easy Name":"Lanthanum (III) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl3La1"},64763:{PUBCHEM:{CID:"64763","Compound Complexity":465,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":6,"IUPAC Name Allowed":"(3S)-3-amino-4-[[(1R)-1-methyl-2-oxo-2-[(2,2,4,4-tetramethylthietan-3-yl)amino]ethyl]amino]-4-oxo-butanoic acid","IUPAC Name CAS-like Style":"(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethyl-3-thietanyl)amino]propan-2-yl]amino]butanoic acid","IUPAC Name Markup":"(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid","IUPAC Name Preferred":"(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid","IUPAC Name Systematic":"(3S)-3-azanyl-4-oxidanylidene-4-[[(2R)-1-oxidanylidene-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid","IUPAC Name Traditional":"(3S)-3-amino-4-keto-4-[[(1R)-2-keto-1-methyl-2-[(2,2,4,4-tetramethylthietan-3-yl)amino]ethyl]amino]butyric acid",InChI:"1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)/t7-,8+/m1/s1",InChIKey:"IVBOUFAWPCPFTQ-SFYZADRCSA-N","Log P":-2.6,"Exact Mass":331.15657747,"Molecular Formula":"C14H25N3O4S","Molecular Weight":331.43,"Monoisotopic Mass":331.15657747,Charge:0,"Easy Name":"Alitame","Easy Category":"Amino acids"},HSDB:{"Color And Form":{Value:"Crystalline powder"},"Melting Point":{Value:"100 °C"},Solubility:{Value:"In water, approximately 130 g/L at pH 5.0 and room temperature; solubility increases at higher and lower pH, and higher temperature"},Taste:{Value:"Intensely sweet"},Uses:{Value:"Sweetening agent."}},ReducedFormula:"C14H25N3O4S1"},64773:{PUBCHEM:{CID:"64773","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Digallium;trisulfate","IUPAC Name CAS-like Style":"Digallium;trisulfate","IUPAC Name Markup":"Digallium;trisulfate","IUPAC Name Preferred":"Digallium;trisulfate","IUPAC Name Systematic":"Digallium;trisulfate","IUPAC Name Traditional":"Digallium;trisulfate",InChI:"1S/2Ga.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"UXLRWZBQRAWBQA-UHFFFAOYSA-H","Exact Mass":427.70547,"Molecular Formula":"Ga2O12S3","Molecular Weight":427.6,"Monoisotopic Mass":425.70634,Charge:0,"Easy Name":"Gallium sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ga2O12S3"},64968:{PUBCHEM:{CID:"64968","Compound Complexity":853,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":6,"Rotatable Bond":8,"IUPAC Name Allowed":"[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate","IUPAC Name CAS-like Style":"[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl] phosphono hydrogen phosphate","IUPAC Name Markup":"[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate","IUPAC Name Preferred":"[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate","IUPAC Name Systematic":"[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","IUPAC Name Traditional":"[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",InChI:"1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",InChIKey:"NHVNXKFIZYSCEB-XLPZGREQSA-N","Log P":-5,"Exact Mass":481.98926423,"Molecular Formula":"C10H17N2O14P3","Molecular Weight":482.17,"Monoisotopic Mass":481.98926423,Charge:0,"Easy Name":"Thymidine 5'-triphosphate","Easy Category":"Nucleoside"},HSDB:{},ReducedFormula:"C10H17N2O14P3"},64971:{PUBCHEM:{CID:"64971","Compound Complexity":861,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","IUPAC Name CAS-like Style":"(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","IUPAC Name Markup":"(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","IUPAC Name Preferred":"(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","IUPAC Name Systematic":"(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","IUPAC Name Traditional":"(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",InChI:"1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",InChIKey:"QGJZLNKBHJESQX-FZFNOLFKSA-N","Log P":8.2,"Exact Mass":456.36034541,"Molecular Formula":"C30H48O3","Molecular Weight":456.7,"Monoisotopic Mass":456.36034541,Charge:0,"Easy Name":"Betulinic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C30H48O3"},64981:{PUBCHEM:{CID:"64981","Compound Complexity":483,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one","IUPAC Name CAS-like Style":"(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone","IUPAC Name Markup":"(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one","IUPAC Name Preferred":"(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one","IUPAC Name Systematic":"(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one","IUPAC Name Traditional":"(3R,4R)-3-vanillyl-4-veratryl-tetrahydrofuran-2-one",InChI:"1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1",InChIKey:"NQWVSMVXKMHKTF-JKSUJKDBSA-N","Log P":3.6,"Exact Mass":372.15728849,"Molecular Formula":"C21H24O6","Molecular Weight":372.4,"Monoisotopic Mass":372.15728849,Charge:0,"Easy Name":"Arctigenin","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C21H24O6"},64982:{PUBCHEM:{CID:"64982","Compound Complexity":748,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":6,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5R,6S)-6-[5,6-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-keto-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",InChI:"1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",InChIKey:"IKIIZLYTISPENI-ZFORQUDYSA-N","Log P":1.1,"Exact Mass":446.0849114,"Molecular Formula":"C21H18O11","Molecular Weight":446.4,"Monoisotopic Mass":446.0849114,Charge:0,"Easy Name":"Baicalin","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C21H18O11"},65028:{PUBCHEM:{CID:"65028","Compound Complexity":418,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":8,"IUPAC Name Allowed":"Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate","IUPAC Name CAS-like Style":"(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester","IUPAC Name Markup":"Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate","IUPAC Name Preferred":"Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate","IUPAC Name Systematic":"Ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate","IUPAC Name Traditional":"(3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester",InChI:"1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1",InChIKey:"VSZGPKBBMSAYNT-RRFJBIMHSA-N","Log P":1.1,"Exact Mass":312.20490739,"Molecular Formula":"C16H28N2O4","Molecular Weight":312.4,"Monoisotopic Mass":312.20490739,Charge:0,"Easy Name":"Oseltamivir","Easy Category":"Pharmaceutical drug"},HSDB:{Solubility:{Value:"In water, 1.6X10+3 mg/L at 25 °C (est)"},Uses:{Value:"MEDICATION: Antiviral /Oseltamivir phosphate/"},"Vapor Pressure":{Value:"1.3X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C16H28N2O4"},65032:{PUBCHEM:{CID:"65032","Compound Complexity":309,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":21,"IUPAC Name Allowed":"Tetracos-15-enoic acid","IUPAC Name CAS-like Style":"15-tetracosenoic acid","IUPAC Name Markup":"Tetracos-15-enoic acid","IUPAC Name Preferred":"Tetracos-15-enoic acid","IUPAC Name Systematic":"Tetracos-15-enoic acid","IUPAC Name Traditional":"Tetracos-15-enoic acid",InChI:"1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)",InChIKey:"GWHCXVQVJPWHRF-UHFFFAOYSA-N","Log P":9.8,"Exact Mass":366.34978072,"Molecular Formula":"C24H46O2","Molecular Weight":366.6,"Monoisotopic Mass":366.34978072,Charge:0,"Easy Name":"15-Tetracosenoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C24H46O2"},65036:{PUBCHEM:{CID:"65036","Compound Complexity":120,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"3-allylsulfinylsulfanylprop-1-ene","IUPAC Name CAS-like Style":"3-(prop-2-enylsulfinylthio)-1-propene","IUPAC Name Markup":"3-prop-2-enylsulfinylsulfanylprop-1-ene","IUPAC Name Preferred":"3-prop-2-enylsulfinylsulfanylprop-1-ene","IUPAC Name Systematic":"3-prop-2-enylsulfinylsulfanylprop-1-ene","IUPAC Name Traditional":"3-(allylsulfinylthio)prop-1-ene",InChI:"1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2",InChIKey:"JDLKFOPOAOFWQN-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":162.01730729,"Molecular Formula":"C6H10OS2","Molecular Weight":162.3,"Monoisotopic Mass":162.01730729,Charge:0,"Easy Name":"Allicin","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1S2"},65037:{PUBCHEM:{CID:"65037","Compound Complexity":226,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":16,"IUPAC Name Allowed":"10-methyloctadecanoic acid","IUPAC Name CAS-like Style":"10-methyloctadecanoic acid","IUPAC Name Markup":"10-methyloctadecanoic acid","IUPAC Name Preferred":"10-methyloctadecanoic acid","IUPAC Name Systematic":"10-methyloctadecanoic acid","IUPAC Name Traditional":"10-methylstearic acid",InChI:"1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",InChIKey:"BEOUGZFCUMNGOU-UHFFFAOYSA-N","Log P":7.7,"Exact Mass":298.28718046,"Molecular Formula":"C19H38O2","Molecular Weight":298.5,"Monoisotopic Mass":298.28718046,Charge:0,"Easy Name":"Tuberculostearic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C19H38O2"},65041:{PUBCHEM:{CID:"65041","Compound Complexity":191,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Markup":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Preferred":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Systematic":"(2S,3S,4S,5R)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid","IUPAC Name Traditional":"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexanoic acid",InChI:"1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1",InChIKey:"IAJILQKETJEXLJ-QTBDOELSSA-N","Log P":-2.6,"Exact Mass":194.04265266,"Molecular Formula":"C6H10O7","Molecular Weight":194.14,"Monoisotopic Mass":194.04265266,Charge:0,"Easy Name":"Aldehydo-D-glucuronic acid","Easy Category":"Uronic acid"},HSDB:{},ReducedFormula:"C6H10O7"},65056:{PUBCHEM:{CID:"65056","Compound Complexity":649,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":7,"Rotatable Bond":4,"IUPAC Name Allowed":"[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name CAS-like Style":"3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester","IUPAC Name Markup":"[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name Preferred":"[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name Systematic":"[(2S,3S)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate","IUPAC Name Traditional":"3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester",InChI:"1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1",InChIKey:"LSHVYAFMTMFKBA-FPOVZHCZSA-N","Log P":1.5,"Exact Mass":442.08999678,"Molecular Formula":"C22H18O10","Molecular Weight":442.4,"Monoisotopic Mass":442.08999678,Charge:0,"Easy Name":" (+)-epicatechin-3-O-gallate","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C22H18O10"},65064:{PUBCHEM:{CID:"65064","Compound Complexity":667,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name CAS-like Style":"3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester","IUPAC Name Markup":"[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name Preferred":"[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name Systematic":"[(2R,3R)-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate","IUPAC Name Traditional":"3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] ester",InChI:"1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",InChIKey:"WMBWREPUVVBILR-WIYYLYMNSA-N","Log P":1.2,"Exact Mass":458.0849114,"Molecular Formula":"C22H18O11","Molecular Weight":458.4,"Monoisotopic Mass":458.0849114,Charge:0,"Easy Name":"Epigallocatechin gallate","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C22H18O11"},65079:{PUBCHEM:{CID:"65079","Compound Complexity":1070,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":6,"Rotatable Bond":12,"IUPAC Name Allowed":"2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name CAS-like Style":"2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxo-2'-spiro[isobenzofuran-1,9'-xanthene]yl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Markup":"2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Preferred":"2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Systematic":"2-[[7'-[[bis(2-hydroxy-2-oxoethyl)amino]methyl]-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid","IUPAC Name Traditional":"2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid",InChI:"1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)",InChIKey:"DEGAKNSWVGKMLS-UHFFFAOYSA-N","Log P":-3.1,"Exact Mass":622.1434889,"Molecular Formula":"C30H26N2O13","Molecular Weight":622.5,"Monoisotopic Mass":622.1434889,Charge:0,"Easy Name":"Calcein","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C30H26N2O13"},65084:{PUBCHEM:{CID:"65084","Compound Complexity":380,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":6,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol","IUPAC Name CAS-like Style":"(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","IUPAC Name Markup":"(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Preferred":"(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Systematic":"(2R,3S)-2-[3,4,5-tris(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Traditional":"(2R,3S)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol",InChI:"1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",InChIKey:"XMOCLSLCDHWDHP-SWLSCSKDSA-N","Log P":0,"Exact Mass":306.07395279,"Molecular Formula":"C15H14O7","Molecular Weight":306.27,"Monoisotopic Mass":306.07395279,Charge:0,"Easy Name":"Gallocatechol","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H14O7"},65091:{PUBCHEM:{CID:"65091","Compound Complexity":823,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":6,"Rotatable Bond":8,"IUPAC Name Allowed":"[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate","IUPAC Name CAS-like Style":"[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","IUPAC Name Markup":"[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","IUPAC Name Preferred":"[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","IUPAC Name Systematic":"[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","IUPAC Name Traditional":"[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",InChI:"1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",InChIKey:"RGWHQCVHVJXOKC-SHYZEUOFSA-N","Log P":-5.6,"Exact Mass":466.98959858,"Molecular Formula":"C9H16N3O13P3","Molecular Weight":467.16,"Monoisotopic Mass":466.98959858,Charge:0,"Easy Name":"Deoxycytidine triphosphate","Easy Category":"Nucleoside"},HSDB:{},ReducedFormula:"C9H16N3O13P3"},65094:{PUBCHEM:{CID:"65094","Compound Complexity":636,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name CAS-like Style":"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Markup":"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Preferred":"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Systematic":"(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Traditional":"(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",InChI:"1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1",InChIKey:"INBGSXNNRGWLJU-ZHHJOTBYSA-N","Log P":6.8,"Exact Mass":402.34978072,"Molecular Formula":"C27H46O2","Molecular Weight":402.7,"Monoisotopic Mass":402.34978072,Charge:0,"Easy Name":"25-hydroxycholesterol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C27H46O2"},65103:{PUBCHEM:{CID:"65103","Compound Complexity":895,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":7,"Rotatable Bond":8,"IUPAC Name Allowed":"[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate","IUPAC Name CAS-like Style":"[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","IUPAC Name Markup":"[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","IUPAC Name Preferred":"[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","IUPAC Name Systematic":"[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate","IUPAC Name Traditional":"[[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",InChI:"1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",InChIKey:"HAAZLUGHYHWQIW-KVQBGUIXSA-N","Log P":-5.1,"Exact Mass":506.99574659,"Molecular Formula":"C10H16N5O13P3","Molecular Weight":507.18,"Monoisotopic Mass":506.99574659,Charge:0,"Easy Name":"Deoxyguanosine triphosphate","Easy Category":"Nucleoside"},HSDB:{},ReducedFormula:"C10H16N5O13P3"},65185:{PUBCHEM:{CID:"65185","Compound Complexity":114,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Periodic acid","IUPAC Name CAS-like Style":"Periodic acid","IUPAC Name Markup":"Periodic acid","IUPAC Name Preferred":"Periodic acid","IUPAC Name Systematic":"Periodic acid","IUPAC Name Traditional":"Periodic acid",InChI:"1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)",InChIKey:"KHIWWQKSHDUIBK-UHFFFAOYSA-N","Log P":-1.3,"Exact Mass":191.89196,"Molecular Formula":"HIO4","Molecular Weight":191.91,"Monoisotopic Mass":191.89196,Charge:0,"Easy Name":"Metaperiodic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H1I1O4"},65241:{PUBCHEM:{CID:"65241","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Fluoro-keto-dioxido-phosphorane",InChI:"1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)/p-2",InChIKey:"DWYMPOCYEZONEA-UHFFFAOYSA-L","Log P":-1.2,"Exact Mass":97.95690902,"Molecular Formula":"FO3P-2","Molecular Weight":97.97,"Monoisotopic Mass":97.95690902,Charge:-2,"Easy Name":"Monofluorophosphate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2F1O3P1"},65371:{PUBCHEM:{CID:"65371","Compound Complexity":100,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;oxido hydrogen sulfate","IUPAC Name CAS-like Style":"Sodium;sulfuric acid oxido ester","IUPAC Name Markup":"Sodium;oxido hydrogen sulfate","IUPAC Name Preferred":"Sodium;oxido hydrogen sulfate","IUPAC Name Systematic":"Sodium;oxidanidyl hydrogen sulfate","IUPAC Name Traditional":"Sodium;sulfuric acid oxido ester",InChI:"1S/Na.H2O5S/c;1-5-6(2,3)4/h;1H,(H,2,3,4)/q+1;/p-1",InChIKey:"BUFQZEHPOKLSTP-UHFFFAOYSA-M","Exact Mass":135.94423859,"Molecular Formula":"HNaO5S","Molecular Weight":136.06,"Monoisotopic Mass":135.94423859,Charge:0,"Easy Name":"Sodium peroxysulfate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"H1Na1O5S1"},65373:{PUBCHEM:{CID:"65373","Compound Complexity":357,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":9,"IUPAC Name Allowed":"(2R,3R)-2,3-bis[(4-hydroxy-3-methoxy-phenyl)methyl]butane-1,4-diol","IUPAC Name CAS-like Style":"(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol","IUPAC Name Markup":"(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol","IUPAC Name Preferred":"(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol","IUPAC Name Systematic":"(2R,3R)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol","IUPAC Name Traditional":"(2R,3R)-2,3-divanillylbutane-1,4-diol",InChI:"1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",InChIKey:"PUETUDUXMCLALY-HOTGVXAUSA-N","Log P":2.5,"Exact Mass":362.17293856,"Molecular Formula":"C20H26O6","Molecular Weight":362.4,"Monoisotopic Mass":362.17293856,Charge:0,"Easy Name":"Secoisolariciresinol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H26O6"},65396:{PUBCHEM:{CID:"65396","Compound Complexity":190,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":10,"IUPAC Name Allowed":"(2S)-2-amino-6-[[(2S)-4-amino-2-hydroxy-butyl]amino]hexanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-6-[[(2S)-4-amino-2-hydroxybutyl]amino]hexanoic acid","IUPAC Name Markup":"(2S)-2-amino-6-[[(2S)-4-amino-2-hydroxybutyl]amino]hexanoic acid","IUPAC Name Preferred":"(2S)-2-amino-6-[[(2S)-4-amino-2-hydroxybutyl]amino]hexanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-6-[[(2S)-4-azanyl-2-oxidanyl-butyl]amino]hexanoic acid","IUPAC Name Traditional":"(2S)-2-amino-6-[[(2S)-4-amino-2-hydroxy-butyl]amino]hexanoic acid",InChI:"1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1",InChIKey:"BZUIJMCJNWUGKQ-IUCAKERBSA-N","Log P":-3.9,"Exact Mass":233.17394161,"Molecular Formula":"C10H23N3O3","Molecular Weight":233.31,"Monoisotopic Mass":233.17394161,Charge:0,"Easy Name":"Hypusine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C10H23N3O3"},65434:{PUBCHEM:{CID:"65434","Compound Complexity":372,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"(4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one","IUPAC Name CAS-like Style":"(4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one","IUPAC Name Markup":"(4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one","IUPAC Name Preferred":"(4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one","IUPAC Name Systematic":"(4S,8S)-4-methyl-8,16,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one","IUPAC Name Traditional":"(4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one",InChI:"1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1",InChIKey:"DWTTZBARDOXEAM-JSGCOSHPSA-N","Log P":4.3,"Exact Mass":322.17802394,"Molecular Formula":"C18H26O5","Molecular Weight":322.4,"Monoisotopic Mass":322.17802394,Charge:0,"Easy Name":"Taleranol","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C18H26O5"},65550:{PUBCHEM:{CID:"65550","Compound Complexity":104,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal","IUPAC Name CAS-like Style":"(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Markup":"(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Preferred":"(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Systematic":"(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentanal","IUPAC Name Traditional":"(2S,3S,4R)-2,3,4,5-tetrahydroxyvaleraldehyde",InChI:"1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5-/m1/s1",InChIKey:"PYMYPHUHKUWMLA-UOWFLXDJSA-N","Log P":-2.3,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Lyxose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},65565:{PUBCHEM:{CID:"65565","Compound Complexity":751,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"4-[3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-isopropyl-5-methyl-phenol","IUPAC Name CAS-like Style":"4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol","IUPAC Name Markup":"4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol","IUPAC Name Preferred":"4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol","IUPAC Name Systematic":"5-methyl-4-[3-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-2-propan-2-yl-phenol","IUPAC Name Traditional":"4-[3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-2-isopropyl-5-methyl-phenol",InChI:"1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3",InChIKey:"PRZSXZWFJHEZBJ-UHFFFAOYSA-N","Log P":6,"Exact Mass":466.18139524,"Molecular Formula":"C27H30O5S","Molecular Weight":466.6,"Monoisotopic Mass":466.18139524,Charge:0,"Easy Name":"Thymol blue","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C27H30O5S1"},65600:{PUBCHEM:{CID:"65600","Compound Complexity":344,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Diphenyl(quinuclidin-3-yl)methanol","IUPAC Name CAS-like Style":"1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol","IUPAC Name Markup":"1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol","IUPAC Name Preferred":"1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol","IUPAC Name Systematic":"1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol","IUPAC Name Traditional":"Diphenyl(quinuclidin-3-yl)methanol",InChI:"1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19,22H,11-15H2",InChIKey:"PZMAHNDJABQWGS-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":293.17796437,"Molecular Formula":"C20H23NO","Molecular Weight":293.4,"Monoisotopic Mass":293.17796437,Charge:0,"Easy Name":"Quifenadine","Easy Category":"Histamine antagonist"},HSDB:{},ReducedFormula:"C20H23N1O1"},65736:{PUBCHEM:{CID:"65736","Compound Complexity":280,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"9H-xanthene-9-carboxylic acid","IUPAC Name CAS-like Style":"9H-xanthene-9-carboxylic acid","IUPAC Name Markup":"9H-xanthene-9-carboxylic acid","IUPAC Name Preferred":"9H-xanthene-9-carboxylic acid","IUPAC Name Systematic":"9H-xanthene-9-carboxylic acid","IUPAC Name Traditional":"9H-xanthene-9-carboxylic acid",InChI:"1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)",InChIKey:"VSBFNCXKYIEYIS-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":226.06299418,"Molecular Formula":"C14H10O3","Molecular Weight":226.23,"Monoisotopic Mass":226.06299418,Charge:0,"Easy Name":"Xanthanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C14H10O3"},65787:{PUBCHEM:{CID:"65787","Compound Complexity":226,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":3,"Rotatable Bond":9,"IUPAC Name Allowed":"2-[bis(carboxymethylsulfanyl)methylsulfanyl]acetic acid","IUPAC Name CAS-like Style":"2-[bis(carboxymethylthio)methylthio]acetic acid","IUPAC Name Markup":"2-[bis(carboxymethylsulfanyl)methylsulfanyl]acetic acid","IUPAC Name Preferred":"2-[bis(carboxymethylsulfanyl)methylsulfanyl]acetic acid","IUPAC Name Systematic":"2-[bis(2-hydroxy-2-oxoethylsulfanyl)methylsulfanyl]ethanoic acid","IUPAC Name Traditional":"2-[bis(carboxymethylthio)methylthio]acetic acid",InChI:"1S/C7H10O6S3/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13/h7H,1-3H2,(H,8,9)(H,10,11)(H,12,13)",InChIKey:"ZBNBQISDCFIEQC-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":285.96395156,"Molecular Formula":"C7H10O6S3","Molecular Weight":286.4,"Monoisotopic Mass":285.96395156,Charge:0,"Easy Name":"Ritiometan","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C7H10O6S3"},65866:{PUBCHEM:{CID:"65866","Compound Complexity":1090,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"O5-[2-[3,3-diphenylpropyl(methyl)amino]-1,1-dimethyl-ethyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name CAS-like Style":"2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] ester O3-methyl ester","IUPAC Name Markup":"5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Preferred":"5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Systematic":"O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methyl-propan-2-yl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Traditional":"2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-[3,3-diphenylpropyl(methyl)amino]-1,1-dimethyl-ethyl] ester O3-methyl ester",InChI:"1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3",InChIKey:"ZDXUKAKRHYTAKV-UHFFFAOYSA-N","Log P":6.9,"Exact Mass":611.29953605,"Molecular Formula":"C36H41N3O6","Molecular Weight":611.7,"Monoisotopic Mass":611.29953605,Charge:0,"Easy Name":"Lercanidipine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C36H41N3O6"},65948:{PUBCHEM:{CID:"65948","Compound Complexity":1080,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"O3-(1-benzhydrylazetidin-3-yl) O5-isopropyl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name CAS-like Style":"2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[1-(diphenylmethyl)-3-azetidinyl] ester O5-propan-2-yl ester","IUPAC Name Markup":"3-O-(1-benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Preferred":"3-O-(1-benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Systematic":"O3-[1-(diphenylmethyl)azetidin-3-yl] O5-propan-2-yl 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Traditional":"2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(1-benzhydrylazetidin-3-yl) ester O5-isopropyl ester",InChI:"1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3",InChIKey:"ZKFQEACEUNWPMT-UHFFFAOYSA-N","Log P":6,"Exact Mass":582.24783483,"Molecular Formula":"C33H34N4O6","Molecular Weight":582.6,"Monoisotopic Mass":582.24783483,Charge:0,"Easy Name":"Azelnidipine","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C33H34N4O6"},66026:{PUBCHEM:{CID:"66026","Compound Complexity":131,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"N-(isopropylideneamino)aniline","IUPAC Name CAS-like Style":"N-(propan-2-ylideneamino)aniline","IUPAC Name Markup":"N-(propan-2-ylideneamino)aniline","IUPAC Name Preferred":"N-(propan-2-ylideneamino)aniline","IUPAC Name Systematic":"N-(propan-2-ylideneamino)aniline","IUPAC Name Traditional":"(isopropylideneamino)-phenyl-amine",InChI:"1S/C9H12N2/c1-8(2)10-11-9-6-4-3-5-7-9/h3-7,11H,1-2H3",InChIKey:"JQLKSEQEILIJEG-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":148.1000484,"Molecular Formula":"C9H12N2","Molecular Weight":148.2,"Monoisotopic Mass":148.1000484,Charge:0,"Easy Name":"Acetone phenylhydrazone","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H12N2"},66123:{PUBCHEM:{CID:"66123","Compound Complexity":128,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3,6,8-tetrazatricyclo[4.4.1.13,8]dodecane","IUPAC Name CAS-like Style":"1,3,6,8-tetrazatricyclo[4.4.1.13,8]dodecane","IUPAC Name Markup":"1,3,6,8-tetrazatricyclo[4.4.1.13,8]dodecane","IUPAC Name Preferred":"1,3,6,8-tetrazatricyclo[4.4.1.13,8]dodecane","IUPAC Name Systematic":"1,3,6,8-tetrazatricyclo[4.4.1.13,8]dodecane","IUPAC Name Traditional":"1,3,6,8-tetrazatricyclo[4.4.1.13,8]dodecane",InChI:"1S/C8H16N4/c1-2-10-7-11-3-4-12(8-10)6-9(1)5-11/h1-8H2",InChIKey:"YHNNUDUEGSHVGJ-UHFFFAOYSA-N","Log P":.1,"Exact Mass":168.13749653,"Molecular Formula":"C8H16N4","Molecular Weight":168.24,"Monoisotopic Mass":168.13749653,Charge:0,"Easy Name":"1, 3, 6, 8-Tetraazatricyclo[4.4.1.13, 8]dodecane","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C8H16N4"},66129:{PUBCHEM:{CID:"66129","Compound Complexity":284,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":11,"IUPAC Name Allowed":"Trimethyl-[2-[4-oxo-4-[2-(trimethylammonio)ethoxy]butanoyl]oxyethyl]ammonium;dibromide","IUPAC Name CAS-like Style":"2-[1,4-dioxo-4-[2-(trimethylammonio)ethoxy]butoxy]ethyl-trimethylammonium;dibromide","IUPAC Name Markup":"Trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;dibromide","IUPAC Name Preferred":"Trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;dibromide","IUPAC Name Systematic":"Trimethyl-[2-[4-oxidanylidene-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;dibromide","IUPAC Name Traditional":"2-[4-keto-4-[2-(trimethylammonio)ethoxy]butanoyl]oxyethyl-trimethyl-ammonium;dibromide",InChI:"1S/C14H30N2O4.2BrH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",InChIKey:"HKDOIORVQFUBKO-UHFFFAOYSA-L","Exact Mass":450.05518,"Molecular Formula":"C14H30Br2N2O4","Molecular Weight":450.21,"Monoisotopic Mass":448.05723,Charge:0,"Easy Name":"Suxamethonium bromide","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"Br2C14H30N2O4"},66187:{PUBCHEM:{CID:"66187","Compound Complexity":47.7,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Dimethoxy(dimethyl)silane","IUPAC Name CAS-like Style":"Dimethoxy(dimethyl)silane","IUPAC Name Markup":"Dimethoxy(dimethyl)silane","IUPAC Name Preferred":"Dimethoxy(dimethyl)silane","IUPAC Name Systematic":"Dimethoxy(dimethyl)silane","IUPAC Name Traditional":"Dimethoxy(dimethyl)silane",InChI:"1S/C4H12O2Si/c1-5-7(3,4)6-2/h1-4H3",InChIKey:"JJQZDUKDJDQPMQ-UHFFFAOYSA-N","Exact Mass":120.06065616,"Molecular Formula":"C4H12O2Si","Molecular Weight":120.22,"Monoisotopic Mass":120.06065616,Charge:0,"Easy Name":"Dimethoxy (dimethyl)silane","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C4H12O2Si1"},66198:{PUBCHEM:{CID:"66198","Compound Complexity":25.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Triethylgallane","IUPAC Name CAS-like Style":"Triethylgallane","IUPAC Name Markup":"Triethylgallane","IUPAC Name Preferred":"Triethylgallane","IUPAC Name Systematic":"Triethylgallane","IUPAC Name Traditional":"Triethylgallane",InChI:"1S/3C2H5.Ga/c3*1-2;/h3*1H2,2H3;",InChIKey:"RGGPNXQUMRMPRA-UHFFFAOYSA-N","Exact Mass":156.04295,"Molecular Formula":"C6H15Ga","Molecular Weight":156.91,"Monoisotopic Mass":156.04295,Charge:0,"Easy Name":"Triethylgallium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C6Ga1H15"},66199:{PUBCHEM:{CID:"66199","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bromosilver","IUPAC Name CAS-like Style":"Bromosilver","IUPAC Name Markup":"Bromosilver","IUPAC Name Preferred":"Bromosilver","IUPAC Name Systematic":"Bromanylsilver","IUPAC Name Traditional":"Bromosilver",InChI:"1S/Ag.BrH/h;1H/q+1;/p-1",InChIKey:"ADZWSOLPGZMUMY-UHFFFAOYSA-M","Exact Mass":185.82343,"Molecular Formula":"AgBr","Molecular 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Markup":"Dichlorotitanium","IUPAC Name Preferred":"Dichlorotitanium","IUPAC Name Systematic":"Bis(chloranyl)titanium","IUPAC Name Traditional":"Dichlorotitanium",InChI:"1S/2ClH.Ti/h2*1H;/q;;+2/p-2",InChIKey:"ZWYDDDAMNQQZHD-UHFFFAOYSA-L","Exact Mass":117.885646,"Molecular Formula":"Cl2Ti","Molecular Weight":118.77,"Monoisotopic Mass":117.885646,Charge:0,"Easy Name":"Titanium (II) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Ti1"},66230:{PUBCHEM:{CID:"66230","Compound Complexity":8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trifluorovanadium","IUPAC Name CAS-like Style":"Trifluorovanadium","IUPAC Name Markup":"Trifluorovanadium","IUPAC Name Preferred":"Trifluorovanadium","IUPAC Name Systematic":"Tris(fluoranyl)vanadium","IUPAC Name Traditional":"Trifluorovanadium",InChI:"1S/3FH.V/h3*1H;/q;;;+3/p-3",InChIKey:"PASVSMBJEYQYSN-UHFFFAOYSA-K","Exact Mass":107.939166,"Molecular Formula":"F3V","Molecular 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salt"},HSDB:{},ReducedFormula:"Li2O3Si1"},66244:{PUBCHEM:{CID:"66244","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;diiodide","IUPAC Name CAS-like Style":"Calcium;diiodide","IUPAC Name Markup":"Calcium;diiodide","IUPAC Name Preferred":"Calcium;diiodide","IUPAC Name Systematic":"Calcium;diiodide","IUPAC Name Traditional":"Calcium;diiodide",InChI:"1S/Ca.2HI/h;2*1H/q+2;;/p-2",InChIKey:"UNMYWSMUMWPJLR-UHFFFAOYSA-L","Exact Mass":293.77153,"Molecular Formula":"CaI2","Molecular Weight":293.89,"Monoisotopic Mass":293.77153,Charge:0,"Easy Name":"Calcium iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1I2"},66278:{PUBCHEM:{CID:"66278","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diiodozinc","IUPAC Name CAS-like Style":"Diiodozinc","IUPAC Name Markup":"Diiodozinc","IUPAC Name Preferred":"Diiodozinc","IUPAC Name Systematic":"Bis(iodanyl)zinc","IUPAC Name Traditional":"Diiodozinc",InChI:"1S/2HI.Zn/h2*1H;/q;;+2/p-2",InChIKey:"UAYWVJHJZHQCIE-UHFFFAOYSA-L","Exact Mass":317.73809,"Molecular Formula":"I2Zn","Molecular Weight":319.2,"Monoisotopic Mass":317.73809,Charge:0,"Easy Name":"Zinc iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I2Zn1"},66292:{PUBCHEM:{CID:"66292","Compound Complexity":6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxovanadium;dihydrochloride","IUPAC Name CAS-like Style":"Oxovanadium;dihydrochloride","IUPAC Name Markup":"Oxovanadium;dihydrochloride","IUPAC Name Preferred":"Oxovanadium;dihydrochloride","IUPAC Name Systematic":"Oxidanylidenevanadium;dihydrochloride","IUPAC Name Traditional":"Ketovanadium;dihydrochloride",InChI:"1S/2ClH.O.V/h2*1H;;",InChIKey:"QLOKAVKWGPPUCM-UHFFFAOYSA-N","Exact Mass":138.892227,"Molecular Formula":"Cl2H2OV","Molecular Weight":139.86,"Monoisotopic Mass":138.892227,Charge:0,"Easy 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Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},66318:{PUBCHEM:{CID:"66318","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichloroyttrium","IUPAC Name CAS-like Style":"Trichloroyttrium","IUPAC Name Markup":"Trichloroyttrium","IUPAC Name Preferred":"Trichloroyttrium","IUPAC Name Systematic":"Tris(chloranyl)yttrium","IUPAC Name Traditional":"Trichloroyttrium",InChI:"1S/3ClH.Y/h3*1H;/q;;;+3/p-3",InChIKey:"PCMOZDDGXKIOLL-UHFFFAOYSA-K","Exact Mass":193.8124,"Molecular Formula":"Cl3Y","Molecular Weight":195.26,"Monoisotopic Mass":193.8124,Charge:0,"Easy Name":"Yttrium (III) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl3Y1"},66320:{PUBCHEM:{CID:"66320","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dilithium;sulfate","IUPAC Name CAS-like Style":"Dilithium;sulfate","IUPAC Name Markup":"Dilithium;sulfate","IUPAC Name Preferred":"Dilithium;sulfate","IUPAC Name Systematic":"Dilithium;sulfate","IUPAC Name Traditional":"Dilithium;sulfate",InChI:"1S/2Li.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"INHCSSUBVCNVSK-UHFFFAOYSA-L","Exact Mass":109.98373653,"Molecular Formula":"Li2O4S","Molecular Weight":110,"Monoisotopic Mass":109.98373653,Charge:0,"Easy Name":"Lithium sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Li2O4S1"},66321:{PUBCHEM:{CID:"66321","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;iodide","IUPAC Name CAS-like Style":"Lithium;iodide","IUPAC Name Markup":"Lithium;iodide","IUPAC Name Preferred":"Lithium;iodide","IUPAC Name Systematic":"Lithium;iodide","IUPAC Name Traditional":"Lithium;iodide",InChI:"1S/HI.Li/h1H;/q;+1/p-1",InChIKey:"HSZCZNFXUDYRKD-UHFFFAOYSA-M","Exact Mass":133.92048,"Molecular Formula":"ILi","Molecular Weight":133.9,"Monoisotopic Mass":133.92048,Charge:0,"Easy Name":"Lithium iodide","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"I1Li1"},66322:{PUBCHEM:{CID:"66322","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;diiodide","IUPAC Name CAS-like Style":"Magnesium;diiodide","IUPAC Name Markup":"Magnesium;diiodide","IUPAC Name Preferred":"Magnesium;diiodide","IUPAC Name Systematic":"Magnesium;diiodide","IUPAC Name Traditional":"Magnesium;diiodide",InChI:"1S/2HI.Mg/h2*1H;/q;;+2/p-2",InChIKey:"BLQJIBCZHWBKSL-UHFFFAOYSA-L","Exact Mass":277.79399,"Molecular Formula":"I2Mg","Molecular Weight":278.114,"Monoisotopic Mass":277.79399,Charge:0,"Easy Name":"Magnesium iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I2Mg1"},66348:{PUBCHEM:{CID:"66348","Compound Complexity":24,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Octathiocane","IUPAC Name CAS-like Style":"Octathiocane","IUPAC Name Markup":"Octathiocane","IUPAC Name Preferred":"Octathiocane","IUPAC Name Systematic":"1,2,3,4,5,6,7,8-octathiocane","IUPAC Name Traditional":"Octathiocane",InChI:"1S/S8/c1-2-4-6-8-7-5-3-1",InChIKey:"JLQNHALFVCURHW-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":255.7765694,"Molecular Formula":"S8","Molecular Weight":256.5,"Monoisotopic Mass":255.7765694,Charge:0,"Easy Name":"Octasulfur","Easy Category":"Simple substances"},HSDB:{},ReducedFormula:"S8"},66355:{PUBCHEM:{CID:"66355","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorovanadium","IUPAC Name CAS-like Style":"Dichlorovanadium","IUPAC Name Markup":"Dichlorovanadium","IUPAC Name Preferred":"Dichlorovanadium","IUPAC Name Systematic":"Bis(chloranyl)vanadium","IUPAC Name Traditional":"Dichlorovanadium",InChI:"1S/2ClH.V/h2*1H;/q;;+2/p-2",InChIKey:"ITAKKORXEUJTBC-UHFFFAOYSA-L","Exact Mass":120.881662,"Molecular Formula":"Cl2V","Molecular Weight":121.84,"Monoisotopic 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9, 10-Perylenetetracarboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C24H12O8"},66521:{PUBCHEM:{CID:"66521","Compound Complexity":140,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4-dibromonaphthalene","IUPAC Name CAS-like Style":"1,4-dibromonaphthalene","IUPAC Name Markup":"1,4-dibromonaphthalene","IUPAC Name Preferred":"1,4-dibromonaphthalene","IUPAC Name Systematic":"1,4-bis(bromanyl)naphthalene","IUPAC Name Traditional":"1,4-dibromonaphthalene",InChI:"1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H",InChIKey:"IBGUDZMIAZLJNY-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":285.88158,"Molecular Formula":"C10H6Br2","Molecular Weight":285.96,"Monoisotopic Mass":283.88363,Charge:0,"Easy Name":"1, 4-Dibromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br2C10H6"},66601:{PUBCHEM:{CID:"66601","Compound Complexity":173,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2,3-dichloro-4-oxo-but-2-enoic acid","IUPAC Name CAS-like Style":"2,3-dichloro-4-oxo-2-butenoic acid","IUPAC Name Markup":"2,3-dichloro-4-oxobut-2-enoic acid","IUPAC Name Preferred":"2,3-dichloro-4-oxobut-2-enoic acid","IUPAC Name Systematic":"2,3-bis(chloranyl)-4-oxidanylidene-but-2-enoic acid","IUPAC Name Traditional":"2,3-dichloro-4-keto-but-2-enoic acid",InChI:"1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)",InChIKey:"LUMLZKVIXLWTCI-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":167.9380993,"Molecular Formula":"C4H2Cl2O3","Molecular Weight":168.96,"Monoisotopic Mass":167.9380993,Charge:0,"Easy Name":"Mucochloric acid","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"Monoclinic prisms from ether and ligroin"},"Melting Point":{Value:"127 °C"},Solubility:{Value:"Soluble in chlorinated and oxygenated solvents"},Uses:{Value:"Used in the production of an active ingredient produced in the United States to make a herbicide for the control of a unique spectrum of broadleaf weeds and grasses..."},"Vapor Pressure":{Value:"1.0X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"C4Cl2H2O3"},66643:{PUBCHEM:{CID:"66643","Compound Complexity":212,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(carboxymethyl)benzoic acid","IUPAC Name CAS-like Style":"2-(carboxymethyl)benzoic acid","IUPAC Name Markup":"2-(carboxymethyl)benzoic acid","IUPAC Name Preferred":"2-(carboxymethyl)benzoic acid","IUPAC Name Systematic":"2-(2-hydroxy-2-oxoethyl)benzoic acid","IUPAC Name Traditional":"2-(carboxymethyl)benzoic acid",InChI:"1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)",InChIKey:"ZHQLTKAVLJKSKR-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":180.042258736,"Molecular Formula":"C9H8O4","Molecular Weight":180.16,"Monoisotopic Mass":180.042258736,Charge:0,"Easy Name":"Homophthalic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H8O4"},66826:{PUBCHEM:{CID:"66826","Compound Complexity":236,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(4-nitrophenyl)arsonic acid","IUPAC Name CAS-like Style":"(4-nitrophenyl)arsonic acid","IUPAC Name Markup":"(4-nitrophenyl)arsonic acid","IUPAC Name Preferred":"(4-nitrophenyl)arsonic acid","IUPAC Name Systematic":"(4-nitrophenyl)arsonic acid","IUPAC Name Traditional":"(4-nitrophenyl)arsonic acid",InChI:"1S/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)",InChIKey:"FUUFQLXAIUOWML-UHFFFAOYSA-N","Exact Mass":246.946192,"Molecular Formula":"C6H6AsNO5","Molecular Weight":247.04,"Monoisotopic Mass":246.946192,Charge:0,"Easy Name":"Nitarsone","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"As1C6H6N1O5"},66962:{PUBCHEM:{CID:"66962","Compound Complexity":48.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"4,5-dihydro-1H-pyrazole","IUPAC Name CAS-like Style":"4,5-dihydro-1H-pyrazole","IUPAC Name Markup":"4,5-dihydro-1H-pyrazole","IUPAC Name Preferred":"4,5-dihydro-1H-pyrazole","IUPAC Name Systematic":"4,5-dihydro-1H-pyrazole","IUPAC Name Traditional":"2-pyrazoline",InChI:"1S/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2",InChIKey:"MCGBIXXDQFWVDW-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":70.053098202,"Molecular Formula":"C3H6N2","Molecular Weight":70.09,"Monoisotopic Mass":70.053098202,Charge:0,"Easy Name":"2-Pyrazoline","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H6N2"},67164:{PUBCHEM:{CID:"67164","Compound Complexity":34.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Thiomorpholine","IUPAC Name CAS-like Style":"Thiomorpholine","IUPAC Name Markup":"Thiomorpholine","IUPAC Name Preferred":"Thiomorpholine","IUPAC Name Systematic":"Thiomorpholine","IUPAC Name Traditional":"Thiomorpholine",InChI:"1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2",InChIKey:"BRNULMACUQOKMR-UHFFFAOYSA-N","Log P":.2,"Exact Mass":103.04557047,"Molecular Formula":"C4H9NS","Molecular Weight":103.19,"Monoisotopic Mass":103.04557047,Charge:0,"Easy Name":"Thiomorpholine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H9N1S1"},67172:{PUBCHEM:{CID:"67172","Compound Complexity":671,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"4-[3-(4-hydroxy-2,5-dimethyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2,5-dimethyl-phenol","IUPAC Name CAS-like Style":"4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2,5-dimethylphenol","IUPAC Name Markup":"4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,5-dimethylphenol","IUPAC Name Preferred":"4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2,5-dimethylphenol","IUPAC Name Systematic":"4-[3-(2,5-dimethyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-2,5-dimethyl-phenol","IUPAC Name Traditional":"4-[3-(4-hydroxy-2,5-dimethyl-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-2,5-dimethyl-phenol",InChI:"1S/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23/h5-12,24-25H,1-4H3",InChIKey:"MGUKYHHAGPFJMC-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":410.11879498,"Molecular Formula":"C23H22O5S","Molecular Weight":410.5,"Monoisotopic Mass":410.11879498,Charge:0,"Easy Name":"Xylenol Blue","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C23H22O5S1"},67191:{PUBCHEM:{CID:"67191","Compound Complexity":730,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone","IUPAC Name CAS-like Style":"7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone","IUPAC Name Markup":"7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone","IUPAC Name Preferred":"7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone","IUPAC Name Systematic":"7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone","IUPAC Name Traditional":"7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-diquinone",InChI:"1S/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H",InChIKey:"CLYVDMAATCIVBF-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":392.03208798,"Molecular Formula":"C24H8O6","Molecular Weight":392.3,"Monoisotopic Mass":392.03208798,Charge:0,"Easy Name":"Perylenetetracarboxylic dianhydride","Easy Category":"Acid anhydride"},HSDB:{},ReducedFormula:"C24H8O6"},67235:{PUBCHEM:{CID:"67235","Compound Complexity":444,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one","IUPAC Name CAS-like Style":"4-[4-(dimethylamino)phenyl]imino-1-naphthalenone","IUPAC Name Markup":"4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one","IUPAC Name Preferred":"4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one","IUPAC Name Systematic":"4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one","IUPAC Name Traditional":"4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one",InChI:"1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3",InChIKey:"VRZJGENLTNRAIG-UHFFFAOYSA-N","Log P":4,"Exact Mass":276.12626314,"Molecular Formula":"C18H16N2O","Molecular Weight":276.3,"Monoisotopic Mass":276.12626314,Charge:0,"Easy Name":" (4E)-4-{[4- (Dimethylamino)phenyl]imino}-1 (4H)-naphthalenone","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C18H16N2O1"},67446:{PUBCHEM:{CID:"67446","Compound Complexity":696,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ovalene","IUPAC Name CAS-like Style":"Ovalene","IUPAC Name Markup":"Ovalene","IUPAC Name Preferred":"Ovalene","IUPAC Name Systematic":"Ovalene","IUPAC Name Traditional":"Ovalene",InChI:"1S/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H",InChIKey:"LSQODMMMSXHVCN-UHFFFAOYSA-N","Log P":10,"Exact Mass":398.10955045,"Molecular Formula":"C32H14","Molecular Weight":398.5,"Monoisotopic Mass":398.10955045,Charge:0,"Easy Name":"Ovalene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C32H14"},67517:{PUBCHEM:{CID:"67517","Compound Complexity":26.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,5-oxadiazole","IUPAC Name CAS-like Style":"1,2,5-oxadiazole","IUPAC Name Markup":"1,2,5-oxadiazole","IUPAC Name Preferred":"1,2,5-oxadiazole","IUPAC Name Systematic":"1,2,5-oxadiazole","IUPAC Name Traditional":"Furazan",InChI:"1S/C2H2N2O/c1-2-4-5-3-1/h1-2H",InChIKey:"JKFAIQOWCVVSKC-UHFFFAOYSA-N","Log P":.2,"Exact Mass":70.016712693,"Molecular Formula":"C2H2N2O","Molecular Weight":70.05,"Monoisotopic Mass":70.016712693,Charge:0,"Easy Name":"Furazan","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C2H2N2O1"},67520:{PUBCHEM:{CID:"67520","Compound Complexity":37,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,4-triazine","IUPAC Name CAS-like Style":"1,2,4-triazine","IUPAC Name Markup":"1,2,4-triazine","IUPAC Name Preferred":"1,2,4-triazine","IUPAC Name Systematic":"1,2,4-triazine","IUPAC Name Traditional":"1,2,4-triazine",InChI:"1S/C3H3N3/c1-2-5-6-3-4-1/h1-3H",InChIKey:"FYADHXFMURLYQI-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":81.03269711,"Molecular Formula":"C3H3N3","Molecular Weight":81.08,"Monoisotopic Mass":81.03269711,Charge:0,"Easy Name":"1, 2, 4-triazine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H3N3"},67610:{PUBCHEM:{CID:"67610","Compound Complexity":200,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Fluorosulfonyloxybenzene","IUPAC Name CAS-like Style":"Fluorosulfonyloxybenzene","IUPAC Name Markup":"Fluorosulfonyloxybenzene","IUPAC Name Preferred":"Fluorosulfonyloxybenzene","IUPAC Name Systematic":"Fluorosulfonyloxybenzene","IUPAC Name Traditional":"Fluorosulfonyloxybenzene",InChI:"1S/C6H5FO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H",InChIKey:"BDIBYQORZHGDIR-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":175.99434336,"Molecular Formula":"C6H5FO3S","Molecular Weight":176.17,"Monoisotopic Mass":175.99434336,Charge:0,"Easy Name":"Phenyl sulfurofluoridate","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C6F1H5O3S1"},67645:{PUBCHEM:{CID:"67645","Compound Complexity":555,"Hydrogen Bond Acceptor":22,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine","IUPAC Name CAS-like Style":"1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1-propanamine","IUPAC Name Markup":"1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine","IUPAC Name Preferred":"1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine","IUPAC Name Systematic":"1,1,2,2,3,3,3-heptakis(fluoranyl)-N,N-bis[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]propan-1-amine","IUPAC Name Traditional":"Tris(1,1,2,2,3,3,3-heptafluoropropyl)amine",InChI:"1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24",InChIKey:"JAJLKEVKNDUJBG-UHFFFAOYSA-N","Log P":7.9,"Exact Mass":520.9695404,"Molecular Formula":"C9F21N","Molecular Weight":521.07,"Monoisotopic Mass":520.9695404,Charge:0,"Easy Name":"Perfluamine","Easy Category":"Amine"},HSDB:{"Boiling Point":{Value:"130 °C"},Density:{Value:"1.822 25 °C/4 °C"},"Refractive Index":{Value:"Index of refraction: 1.279 @ 25 °C"},Uses:{Value:"The electronics industry relies heavily on these fluids in reliability testing of electronic components, as direct-contact coolants for integrated circuits, and as heating media in vapor-phase reflow soldering. /Fluorinated Tertiary Amines/"},"Vapor Pressure":{Value:"20 mm Hg @ 37 °C"}},ReducedFormula:"C9F21N1"},67678:{PUBCHEM:{CID:"67678","Compound Complexity":192,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxy-ethyl]disulfanyl]propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid","IUPAC Name Markup":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid","IUPAC Name Preferred":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-3-[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid","IUPAC Name Traditional":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxy-ethyl]disulfanyl]propionic acid",InChI:"1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1",InChIKey:"LEVWYRKDKASIDU-IMJSIDKUSA-N","Log P":-6.3,"Exact Mass":240.02384922,"Molecular Formula":"C6H12N2O4S2","Molecular Weight":240.3,"Monoisotopic Mass":240.02384922,Charge:0,"Easy Name":"Cystine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C6H12N2O4S2"},67940:{PUBCHEM:{CID:"67940","Compound Complexity":93,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,1,2,3,3,3-heptafluoropropane","IUPAC Name CAS-like Style":"1,1,1,2,3,3,3-heptafluoropropane","IUPAC Name Markup":"1,1,1,2,3,3,3-heptafluoropropane","IUPAC Name Preferred":"1,1,1,2,3,3,3-heptafluoropropane","IUPAC Name Systematic":"1,1,1,2,3,3,3-heptakis(fluoranyl)propane","IUPAC Name Traditional":"1,1,1,2,3,3,3-heptafluoropropane",InChI:"1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H",InChIKey:"YFMFNYKEUDLDTL-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":169.99664717,"Molecular Formula":"C3HF7","Molecular Weight":170.03,"Monoisotopic Mass":169.99664717,Charge:0,"Easy Name":"1, 1, 1, 2, 3, 3, 3-Heptafluoropropane","Easy Category":"Organofluorides"},HSDB:{"Boiling Point":{Value:"-16.34 °C"},"Color And Form":{Value:"Colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 412.40 K; critical pressure: 3.42 MPa"},Density:{Value:"1.394 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"Latent heat of vaporization: 132.7 kJ/kg"},"Melting Point":{Value:"-126.8 °C"},Odor:{Value:"Light ethereal odor"},"Refractive Index":{Value:"Index of refraction: 1.407 at 25 °C/D"},Solubility:{Value:"In water, 108 mg/L at 25 °C (est)"},Uses:{Value:"... HFC 227ea can be used as ... /a propellant/ in medicinal aerosols instead of CFC 114."},"Vapor Density":{Value:"4.2 at 20 °C (Air = 1)"},"Vapor Pressure":{Value:"3.41X10+3 mm Hg at 25 °C"},Viscosity:{Value:"0.0132 mPa.s at 25 °C (gas); 0.184 mPa.s (liquid)"}},ReducedFormula:"C3F7H1"},68072:{PUBCHEM:{CID:"68072","Compound Complexity":180,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"2,4-dihydroxy-6-methyl-benzoic acid","IUPAC Name CAS-like Style":"2,4-dihydroxy-6-methylbenzoic acid","IUPAC Name Markup":"2,4-dihydroxy-6-methylbenzoic acid","IUPAC Name Preferred":"2,4-dihydroxy-6-methylbenzoic acid","IUPAC Name Systematic":"2-methyl-4,6-bis(oxidanyl)benzoic acid","IUPAC Name Traditional":"2,4-dihydroxy-6-methyl-benzoic acid",InChI:"1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)",InChIKey:"AMKYESDOVDKZKV-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":168.042258736,"Molecular Formula":"C8H8O4","Molecular Weight":168.15,"Monoisotopic Mass":168.042258736,Charge:0,"Easy Name":"Orsellinic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C8H8O4"},68077:{PUBCHEM:{CID:"68077","Compound Complexity":540,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one","IUPAC Name Traditional":"5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromone",InChI:"1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3",InChIKey:"ULSUXBXHSYSGDT-UHFFFAOYSA-N","Log P":3,"Exact Mass":372.12090298,"Molecular Formula":"C20H20O7","Molecular Weight":372.4,"Monoisotopic Mass":372.12090298,Charge:0,"Easy Name":"Tangeritin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C20H20O7"},68098:{PUBCHEM:{CID:"68098","Compound Complexity":316,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"3-(4-methyl-2,5-dioxo-pyrrol-3-yl)propanoic acid","IUPAC Name CAS-like Style":"3-(4-methyl-2,5-dioxo-3-pyrrolyl)propanoic acid","IUPAC Name Markup":"3-(4-methyl-2,5-dioxopyrrol-3-yl)propanoic acid","IUPAC Name Preferred":"3-(4-methyl-2,5-dioxopyrrol-3-yl)propanoic acid","IUPAC Name Systematic":"3-[4-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]propanoic acid","IUPAC Name Traditional":"3-(2,5-diketo-4-methyl-3-pyrrolin-3-yl)propionic acid",InChI:"1S/C8H9NO4/c1-4-5(2-3-6(10)11)8(13)9-7(4)12/h2-3H2,1H3,(H,10,11)(H,9,12,13)",InChIKey:"ZAFOEDODWZIXMO-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":183.05315777,"Molecular Formula":"C8H9NO4","Molecular Weight":183.16,"Monoisotopic Mass":183.05315777,Charge:0,"Easy Name":"Hematinic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C8H9N1O4"},68114:{PUBCHEM:{CID:"68114","Compound Complexity":166,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-phenylprop-2-enoic acid","IUPAC Name CAS-like Style":"2-phenyl-2-propenoic acid","IUPAC Name Markup":"2-phenylprop-2-enoic acid","IUPAC Name Preferred":"2-phenylprop-2-enoic acid","IUPAC Name Systematic":"2-phenylprop-2-enoic acid","IUPAC Name Traditional":"Atropic acid",InChI:"1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)",InChIKey:"ONPJWQSDZCGSQM-UHFFFAOYSA-N","Log P":2,"Exact Mass":148.052429497,"Molecular Formula":"C9H8O2","Molecular Weight":148.16,"Monoisotopic Mass":148.052429497,Charge:0,"Easy Name":"Atropic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C9H8O2"},68134:{PUBCHEM:{CID:"68134","Compound Complexity":205,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":8,"IUPAC Name Allowed":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxy-ethyl]sulfanylmethylsulfanyl]propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-3-[[[(2R)-2-amino-2-carboxyethyl]thio]methylthio]propanoic acid","IUPAC Name Markup":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethylsulfanyl]propanoic acid","IUPAC Name Preferred":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethylsulfanyl]propanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-3-[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanylmethylsulfanyl]propanoic acid","IUPAC Name Traditional":"(2R)-2-amino-3-[[[(2R)-2-amino-2-carboxy-ethyl]thio]methylthio]propionic acid",InChI:"1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",InChIKey:"JMQMNWIBUCGUDO-WHFBIAKZSA-N","Log P":-5.6,"Exact Mass":254.03949929,"Molecular Formula":"C7H14N2O4S2","Molecular Weight":254.3,"Monoisotopic Mass":254.03949929,Charge:0,"Easy Name":"L-Djenkolic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C7H14N2O4S2"},68137:{PUBCHEM:{CID:"68137","Compound Complexity":202,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"5-methylbenzene-1,3-dicarboxylic acid","IUPAC Name CAS-like Style":"5-methylbenzene-1,3-dicarboxylic acid","IUPAC Name Markup":"5-methylbenzene-1,3-dicarboxylic acid","IUPAC Name Preferred":"5-methylbenzene-1,3-dicarboxylic acid","IUPAC Name Systematic":"5-methylbenzene-1,3-dicarboxylic acid","IUPAC Name Traditional":"Uvitic acid",InChI:"1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)",InChIKey:"PMZBHPUNQNKBOA-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":180.042258736,"Molecular Formula":"C9H8O4","Molecular Weight":180.16,"Monoisotopic Mass":180.042258736,Charge:0,"Easy Name":"5-methylbenzene-1, 3-dicarboxylic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H8O4"},68139:{PUBCHEM:{CID:"68139","Compound Complexity":273,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"5-hydroxy-4-oxo-pyran-2-carboxylic acid","IUPAC Name CAS-like Style":"5-hydroxy-4-oxo-2-pyrancarboxylic acid","IUPAC Name Markup":"5-hydroxy-4-oxopyran-2-carboxylic acid","IUPAC Name Preferred":"5-hydroxy-4-oxopyran-2-carboxylic acid","IUPAC Name Systematic":"5-oxidanyl-4-oxidanylidene-pyran-2-carboxylic acid","IUPAC Name Traditional":"5-hydroxy-4-keto-pyran-2-carboxylic acid",InChI:"1S/C6H4O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1-2,8H,(H,9,10)",InChIKey:"UUUICOMMFFTCHS-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":156.005873227,"Molecular Formula":"C6H4O5","Molecular Weight":156.09,"Monoisotopic Mass":156.005873227,Charge:0,"Easy Name":"Comenic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C6H4O5"},68141:{PUBCHEM:{CID:"68141","Compound Complexity":236,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"6-oxopyran-3-carboxylic acid","IUPAC Name CAS-like Style":"6-oxo-3-pyrancarboxylic acid","IUPAC Name Markup":"6-oxopyran-3-carboxylic acid","IUPAC Name Preferred":"6-oxopyran-3-carboxylic acid","IUPAC Name Systematic":"6-oxidanylidenepyran-3-carboxylic acid","IUPAC Name Traditional":"6-ketopyran-3-carboxylic acid",InChI:"1S/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)",InChIKey:"ORGPJDKNYMVLFL-UHFFFAOYSA-N","Log P":0,"Exact Mass":140.010958607,"Molecular Formula":"C6H4O4","Molecular Weight":140.09,"Monoisotopic Mass":140.010958607,Charge:0,"Easy Name":"2-Oxo-2H-pyran-5-carboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H4O4"},68151:{PUBCHEM:{CID:"68151","Compound Complexity":297,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide","IUPAC Name CAS-like Style":"1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide","IUPAC Name Markup":"1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide","IUPAC Name Preferred":"1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide","IUPAC Name Systematic":"1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide","IUPAC Name Traditional":"1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide",InChI:"1S/C2H4O6S2/c3-9(4)2-1-7-10(5,6)8-9/h1-2H2",InChIKey:"VSANMHWDSONVEE-UHFFFAOYSA-N","Log P":-1,"Exact Mass":187.9449302,"Molecular Formula":"C2H4O6S2","Molecular Weight":188.18,"Monoisotopic Mass":187.9449302,Charge:0,"Easy Name":"Carbyl sulfate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C2H4O6S2"},68152:{PUBCHEM:{CID:"68152","Compound Complexity":50,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"3-hydroxypropanoic acid","IUPAC Name CAS-like Style":"3-hydroxypropanoic acid","IUPAC Name Markup":"3-hydroxypropanoic acid","IUPAC Name Preferred":"3-hydroxypropanoic acid","IUPAC Name Systematic":"3-oxidanylpropanoic acid","IUPAC Name Traditional":"3-hydroxypropionic acid",InChI:"1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)",InChIKey:"ALRHLSYJTWAHJZ-UHFFFAOYSA-N","Log P":-1,"Exact Mass":90.031694052,"Molecular Formula":"C3H6O3","Molecular Weight":90.08,"Monoisotopic Mass":90.031694052,Charge:0,"Easy Name":"3-Hydroxypropionic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C3H6O3"},68156:{PUBCHEM:{CID:"68156","Compound Complexity":48.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"4,5-dihydro-1H-imidazole","IUPAC Name CAS-like Style":"4,5-dihydro-1H-imidazole","IUPAC Name Markup":"4,5-dihydro-1H-imidazole","IUPAC Name Preferred":"4,5-dihydro-1H-imidazole","IUPAC Name Systematic":"4,5-dihydro-1H-imidazole","IUPAC Name Traditional":"2-imidazoline",InChI:"1S/C3H6N2/c1-2-5-3-4-1/h3H,1-2H2,(H,4,5)",InChIKey:"MTNDZQHUAFNZQY-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":70.053098202,"Molecular Formula":"C3H6N2","Molecular Weight":70.09,"Monoisotopic Mass":70.053098202,Charge:0,"Easy Name":"Imidazoline","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H6N2"},68160:{PUBCHEM:{CID:"68160","Compound Complexity":96,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Thiocyanato thiocyanate","IUPAC Name CAS-like Style":"Thiocyanic acid thiocyanato ester","IUPAC Name Markup":"Thiocyanato thiocyanate","IUPAC Name Preferred":"Thiocyanato thiocyanate","IUPAC Name Systematic":"Thiocyanato thiocyanate","IUPAC Name Traditional":"Thiocyanic acid thiocyanato ester",InChI:"1S/C2N2S2/c3-1-5-6-2-4",InChIKey:"DTMHTVJOHYTUHE-UHFFFAOYSA-N","Log P":1,"Exact Mass":115.95029036,"Molecular Formula":"C2N2S2","Molecular Weight":116.17,"Monoisotopic Mass":115.95029036,Charge:0,"Easy Name":"Thiocyanogen","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"C2N2S2"},68167:{PUBCHEM:{CID:"68167","Compound Complexity":282,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"Octadec-9-ynoic acid","IUPAC Name CAS-like Style":"9-octadecynoic acid","IUPAC Name Markup":"Octadec-9-ynoic acid","IUPAC Name Preferred":"Octadec-9-ynoic acid","IUPAC Name Systematic":"Octadec-9-ynoic acid","IUPAC Name Traditional":"Octadec-9-ynoic acid",InChI:"1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)",InChIKey:"RGTIBVZDHOMOKC-UHFFFAOYSA-N","Log P":6.3,"Exact Mass":280.24023027,"Molecular Formula":"C18H32O2","Molecular Weight":280.4,"Monoisotopic Mass":280.24023027,Charge:0,"Easy Name":"9-Octadecynoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H32O2"},68172:{PUBCHEM:{CID:"68172","Compound Complexity":12.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gold(1+);cyanide","IUPAC Name CAS-like Style":"Gold(1+);cyanide","IUPAC Name Markup":"Gold(1+);cyanide","IUPAC Name Preferred":"Gold(1+);cyanide","IUPAC Name Systematic":"Gold(1+);cyanide","IUPAC Name Traditional":"Gold(1+);cyanide",InChI:"1S/CN.Au/c1-2;/q-1;+1",InChIKey:"IZLAVFWQHMDDGK-UHFFFAOYSA-N","Exact Mass":222.969644,"Molecular Formula":"CAuN","Molecular Weight":222.984,"Monoisotopic Mass":222.969644,Charge:0,"Easy Name":"Gold (1+) cyanide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Au1C1N1"},68173:{PUBCHEM:{CID:"68173","Compound Complexity":18.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/C.2Be",InChIKey:"UQVOJETYKFAIRZ-UHFFFAOYSA-N","Exact Mass":30.024366,"Molecular Formula":"CBe2","Molecular Weight":30.035,"Monoisotopic Mass":30.024366,Charge:0,"Easy Name":"Beryllium carbide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Be2C1"},68201:{PUBCHEM:{CID:"68201","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);oxalate","IUPAC Name CAS-like Style":"Barium(2+);oxalate","IUPAC Name Markup":"Barium(2+);oxalate","IUPAC Name Preferred":"Barium(2+);oxalate","IUPAC Name Systematic":"Barium(2+);ethanedioate","IUPAC Name Traditional":"Barium(2+);oxalate",InChI:"1S/C2H2O4.Ba/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",InChIKey:"GXUARMXARIJAFV-UHFFFAOYSA-L","Exact Mass":225.884906,"Molecular Formula":"C2BaO4","Molecular Weight":225.35,"Monoisotopic Mass":225.884906,Charge:0,"Easy Name":"Barium oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Ba1C2O4"},68203:{PUBCHEM:{CID:"68203","Compound Complexity":696,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"5,6,11,12-tetraphenyltetracene","IUPAC Name CAS-like Style":"5,6,11,12-tetraphenyltetracene","IUPAC Name Markup":"5,6,11,12-tetraphenyltetracene","IUPAC Name Preferred":"5,6,11,12-tetraphenyltetracene","IUPAC Name Systematic":"5,6,11,12-tetraphenyltetracene","IUPAC Name Traditional":"5,6,11,12-tetraphenyltetracene",InChI:"1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H",InChIKey:"YYMBJDOZVAITBP-UHFFFAOYSA-N","Log P":12.2,"Exact Mass":532.2191009,"Molecular Formula":"C42H28","Molecular Weight":532.7,"Monoisotopic Mass":532.2191009,Charge:0,"Easy Name":"Rubrene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C42H28"},68204:{PUBCHEM:{CID:"68204","Compound Complexity":271,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Naphthalene-1,8-dicarboxylic acid","IUPAC Name CAS-like Style":"Naphthalene-1,8-dicarboxylic acid","IUPAC Name Markup":"Naphthalene-1,8-dicarboxylic acid","IUPAC Name Preferred":"Naphthalene-1,8-dicarboxylic acid","IUPAC Name Systematic":"Naphthalene-1,8-dicarboxylic acid","IUPAC Name Traditional":"Naphthalic acid",InChI:"1S/C12H8O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,(H,13,14)(H,15,16)",InChIKey:"HRRDCWDFRIJIQZ-UHFFFAOYSA-N","Log P":2,"Exact Mass":216.042258736,"Molecular Formula":"C12H8O4","Molecular Weight":216.19,"Monoisotopic Mass":216.042258736,Charge:0,"Easy Name":"Naphthalic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C12H8O4"},68209:{PUBCHEM:{CID:"68209","Compound Complexity":277,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"3,4-dimethoxyphthalic acid","IUPAC Name CAS-like Style":"3,4-dimethoxyphthalic acid","IUPAC Name Markup":"3,4-dimethoxyphthalic acid","IUPAC Name Preferred":"3,4-dimethoxyphthalic acid","IUPAC Name Systematic":"3,4-dimethoxyphthalic acid","IUPAC Name Traditional":"3,4-dimethoxyphthalic acid",InChI:"1S/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)",InChIKey:"QSWJYWSRUJSAFH-UHFFFAOYSA-N","Log P":.9,"Exact Mass":226.04773804,"Molecular Formula":"C10H10O6","Molecular Weight":226.18,"Monoisotopic Mass":226.04773804,Charge:0,"Easy Name":"Hemipinic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H10O6"},68210:{PUBCHEM:{CID:"68210","Compound Complexity":240,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"6-formyl-2,3-dimethoxy-benzoic acid","IUPAC Name CAS-like Style":"6-formyl-2,3-dimethoxybenzoic acid","IUPAC Name Markup":"6-formyl-2,3-dimethoxybenzoic acid","IUPAC Name Preferred":"6-formyl-2,3-dimethoxybenzoic acid","IUPAC Name Systematic":"6-methanoyl-2,3-dimethoxy-benzoic acid","IUPAC Name Traditional":"6-formyl-2,3-dimethoxy-benzoic acid",InChI:"1S/C10H10O5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3,(H,12,13)",InChIKey:"HVXXOIGTXJOVON-UHFFFAOYSA-N","Log P":.9,"Exact Mass":210.05282342,"Molecular Formula":"C10H10O5","Molecular Weight":210.18,"Monoisotopic Mass":210.05282342,Charge:0,"Easy Name":"Opianic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H10O5"},68231:{PUBCHEM:{CID:"68231","Compound Complexity":144,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine","IUPAC Name CAS-like Style":"(7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine","IUPAC Name Markup":"(7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine","IUPAC Name Preferred":"(7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine","IUPAC Name Systematic":"(7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine","IUPAC Name Traditional":"(7S)-4,7-dimethyl-2-pyrindan",InChI:"1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3/t7-/m0/s1",InChIKey:"ZHQQRIUYLMXDPP-ZETCQYMHSA-N","Log P":2.4,"Exact Mass":147.10479942,"Molecular Formula":"C10H13N","Molecular Weight":147.22,"Monoisotopic Mass":147.10479942,Charge:0,"Easy Name":"Actinidine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C10H13N1"},68245:{PUBCHEM:{CID:"68245","Compound Complexity":380,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":6,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride","IUPAC Name CAS-like Style":"2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol;chloride","IUPAC Name Markup":"2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride","IUPAC Name Preferred":"2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride","IUPAC Name Systematic":"2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3,5,7-triol;chloride","IUPAC Name Traditional":"2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol;chloride",InChI:"1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H",InChIKey:"FFNDMZIBVDSQFI-UHFFFAOYSA-N","Exact Mass":338.0193304,"Molecular Formula":"C15H11ClO7","Molecular Weight":338.69,"Monoisotopic Mass":338.0193304,Charge:0,"Easy Name":"Delphinidin chloride","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"C15Cl1H11O7"},68263:{PUBCHEM:{CID:"68263","Compound Complexity":166,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Di(imidazol-1-yl)methanone","IUPAC Name CAS-like Style":"Bis(1-imidazolyl)methanone","IUPAC Name Markup":"Di(imidazol-1-yl)methanone","IUPAC Name Preferred":"Di(imidazol-1-yl)methanone","IUPAC Name Systematic":"Di(imidazol-1-yl)methanone","IUPAC Name Traditional":"Di(imidazol-1-yl)methanone",InChI:"1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H",InChIKey:"PFKFTWBEEFSNDU-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":162.05416083,"Molecular Formula":"C7H6N4O","Molecular Weight":162.15,"Monoisotopic Mass":162.05416083,Charge:0,"Easy Name":"Carbonyldiimidazole","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H6N4O1"},68275:{PUBCHEM:{CID:"68275","Compound Complexity":498,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Dimethyl-[7-(methylamino)phenothiazin-3-ylidene]ammonium;chloride","IUPAC Name CAS-like Style":"Dimethyl-[7-(methylamino)-3-phenothiazinylidene]ammonium;chloride","IUPAC Name Markup":"Dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;chloride","IUPAC Name Preferred":"Dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;chloride","IUPAC Name Systematic":"Dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;chloride","IUPAC Name Traditional":"Dimethyl-[7-(methylamino)phenothiazin-3-ylidene]ammonium;chloride",InChI:"1S/C15H15N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9H,1-3H3;1H",InChIKey:"DNDJEIWCTMMZBX-UHFFFAOYSA-N","Exact Mass":305.0753464,"Molecular Formula":"C15H16ClN3S","Molecular Weight":305.8,"Monoisotopic Mass":305.0753464,Charge:0,"Easy Name":"Azure B","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C15Cl1H16N3S1"},68298:{PUBCHEM:{CID:"68298","Compound Complexity":10,"Hydrogen Bond Acceptor":6,"Hydrogen Bond 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Markup":"Trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;diiodide","IUPAC Name Preferred":"Trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;diiodide","IUPAC Name Systematic":"Trimethyl-[2-[4-oxidanylidene-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;diiodide","IUPAC Name Traditional":"2-[4-keto-4-[2-(trimethylammonio)ethoxy]butanoyl]oxyethyl-trimethyl-ammonium;diiodide",InChI:"1S/C14H30N2O4.2HI/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",InChIKey:"QMJHHGXCWYZSBV-UHFFFAOYSA-L","Exact Mass":544.0295,"Molecular Formula":"C14H30I2N2O4","Molecular Weight":544.21,"Monoisotopic Mass":544.0295,Charge:0,"Easy Name":"Suxamethonium iodide","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C14H30I2N2O4"},68328:{PUBCHEM:{CID:"68328","Compound Complexity":153,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"3-oxopentanedioic 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acid",InChI:"1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)",InChIKey:"YWWVWXASSLXJHU-UHFFFAOYSA-N","Log P":5.1,"Exact Mass":226.19328008,"Molecular Formula":"C14H26O2","Molecular Weight":226.35,"Monoisotopic Mass":226.19328008,Charge:0,"Easy Name":"9-tetradecenoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C14H26O2"},68383:{PUBCHEM:{CID:"68383","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dilithium;oxalate","IUPAC Name CAS-like Style":"Dilithium;oxalate","IUPAC Name Markup":"Dilithium;oxalate","IUPAC Name Preferred":"Dilithium;oxalate","IUPAC Name Systematic":"Dilithium;ethanedioate","IUPAC Name Traditional":"Dilithium;oxalate",InChI:"1S/C2H2O4.2Li/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",InChIKey:"YNQRWVCLAIUHHI-UHFFFAOYSA-L","Exact Mass":102.01166535,"Molecular Formula":"C2Li2O4","Molecular Weight":102,"Monoisotopic Mass":102.01166535,Charge:0,"Easy Name":"Dilithium oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2Li2O4"},68391:{PUBCHEM:{CID:"68391","Compound Complexity":7.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;triformate","IUPAC Name CAS-like Style":"Iron(3+);triformate","IUPAC Name Markup":"Iron(3+);triformate","IUPAC Name Preferred":"Iron(3+);triformate","IUPAC Name Systematic":"Iron(3+);trimethanoate","IUPAC Name Traditional":"Ferric;triformate",InChI:"1S/3CH2O2.Fe/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3",InChIKey:"WHRBSMVATPCWLU-UHFFFAOYSA-K","Exact Mass":190.927898,"Molecular Formula":"C3H3FeO6","Molecular Weight":190.9,"Monoisotopic Mass":190.927898,Charge:0,"Easy Name":"Iron (3+) triformate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C3Fe1H3O6"},68394:{PUBCHEM:{CID:"68394","Compound Complexity":7.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;formate","IUPAC Name CAS-like 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acid",InChI:"1S/C8H8O3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)",InChIKey:"BBMFSGOFUHEVNP-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":152.047344117,"Molecular Formula":"C8H8O3","Molecular Weight":152.15,"Monoisotopic Mass":152.047344117,Charge:0,"Easy Name":"4-hydroxy-2-methylbenzoic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C8H8O3"},68512:{PUBCHEM:{CID:"68512","Compound Complexity":155,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"3-hydroxy-4-methyl-benzoic acid","IUPAC Name CAS-like Style":"3-hydroxy-4-methylbenzoic acid","IUPAC Name Markup":"3-hydroxy-4-methylbenzoic acid","IUPAC Name Preferred":"3-hydroxy-4-methylbenzoic acid","IUPAC Name Systematic":"4-methyl-3-oxidanyl-benzoic acid","IUPAC Name Traditional":"3-hydroxy-4-methyl-benzoic acid",InChI:"1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)",InChIKey:"ZQLCWPXBHUALQC-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":152.047344117,"Molecular 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hydrocarbon"},HSDB:{},ReducedFormula:"C18H13N1Na2O8S2"},68962:{PUBCHEM:{CID:"68962","Compound Complexity":10,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Platinum(2+);dicyanide","IUPAC Name CAS-like Style":"Platinum(2+);dicyanide","IUPAC Name Markup":"Platinum(2+);dicyanide","IUPAC Name Preferred":"Platinum(2+);dicyanide","IUPAC Name Systematic":"Platinum(2+);dicyanide","IUPAC Name Traditional":"Platinum(2+);dicyanide",InChI:"1S/2CN.Pt/c2*1-2;/q2*-1;+2",InChIKey:"INXLGDBFWGBBOC-UHFFFAOYSA-N","Exact Mass":246.970942,"Molecular Formula":"C2N2Pt","Molecular Weight":247.12,"Monoisotopic Mass":246.970942,Charge:0,"Easy Name":"Platinum dicyanide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C2N2Pt1"},68978:{PUBCHEM:{CID:"68978","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trimethylarsane","IUPAC Name CAS-like Style":"Trimethylarsine","IUPAC Name Markup":"Trimethylarsane","IUPAC Name Preferred":"Trimethylarsane","IUPAC Name Systematic":"Trimethylarsane","IUPAC Name Traditional":"Trimethylarsine",InChI:"1S/C3H9As/c1-4(2)3/h1-3H3",InChIKey:"HTDIUWINAKAPER-UHFFFAOYSA-N","Exact Mass":119.99202,"Molecular Formula":"C3H9As","Molecular Weight":120.03,"Monoisotopic Mass":119.99202,Charge:0,"Easy Name":"Trimethylarsine","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"As1C3H9"},68983:{PUBCHEM:{CID:"68983","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trimethylphosphane","IUPAC Name CAS-like Style":"Trimethylphosphine","IUPAC Name Markup":"Trimethylphosphane","IUPAC Name Preferred":"Trimethylphosphane","IUPAC Name Systematic":"Trimethylphosphane","IUPAC Name Traditional":"Trimethylphosphine",InChI:"1S/C3H9P/c1-4(2)3/h1-3H3",InChIKey:"YWWDBCBWQNCYNR-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":76.04418729,"Molecular Formula":"C3H9P","Molecular 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Traditional":"Methyl(o-tolyl)amine",InChI:"1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3",InChIKey:"GUAWMXYQZKVRCW-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":121.08914936,"Molecular Formula":"C8H11N","Molecular Weight":121.18,"Monoisotopic Mass":121.08914936,Charge:0,"Easy Name":"N, 2-Dimethylaniline","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C8H11N1"},69435:{PUBCHEM:{CID:"69435","Compound Complexity":93.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S)-2-amino-3-hydroxy-butanoic acid","IUPAC Name CAS-like Style":"(2R,3S)-2-amino-3-hydroxybutanoic acid","IUPAC Name Markup":"(2R,3S)-2-amino-3-hydroxybutanoic acid","IUPAC Name Preferred":"(2R,3S)-2-amino-3-hydroxybutanoic acid","IUPAC Name Systematic":"(2R,3S)-2-azanyl-3-oxidanyl-butanoic acid","IUPAC Name Traditional":"(2R,3S)-2-amino-3-hydroxy-butyric acid",InChI:"1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1",InChIKey:"AYFVYJQAPQTCCC-STHAYSLISA-N","Log P":-2.9,"Exact Mass":119.058243153,"Molecular Formula":"C4H9NO3","Molecular Weight":119.12,"Monoisotopic Mass":119.058243153,Charge:0,"Easy Name":"D-Threonine (2R, 3S)","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C4H9N1O3"},69442:{PUBCHEM:{CID:"69442","Compound Complexity":317,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4-dimethyl-1,3,5-trinitro-benzene","IUPAC Name CAS-like Style":"2,4-dimethyl-1,3,5-trinitrobenzene","IUPAC Name Markup":"2,4-dimethyl-1,3,5-trinitrobenzene","IUPAC Name Preferred":"2,4-dimethyl-1,3,5-trinitrobenzene","IUPAC Name Systematic":"2,4-dimethyl-1,3,5-trinitro-benzene","IUPAC Name Traditional":"2,4-dimethyl-1,3,5-trinitro-benzene",InChI:"1S/C8H7N3O6/c1-4-6(9(12)13)3-7(10(14)15)5(2)8(4)11(16)17/h3H,1-2H3",InChIKey:"GGGVOOMKPJYWDF-UHFFFAOYSA-N","Log P":2,"Exact Mass":241.03348496,"Molecular Formula":"C8H7N3O6","Molecular Weight":241.16,"Monoisotopic Mass":241.03348496,Charge:0,"Easy Name":"2, 4, 6-Trinitroxylene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C8H7N3O6"},69488:{PUBCHEM:{CID:"69488","Compound Complexity":25.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Stannous;diacetate","IUPAC Name CAS-like Style":"Tin(2+);diacetate","IUPAC Name Markup":"Tin(2+);diacetate","IUPAC Name Preferred":"Tin(2+);diacetate","IUPAC Name Systematic":"Tin(2+);diethanoate","IUPAC Name Traditional":"Stannous;diacetate",InChI:"1S/2C2H4O2.Sn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",InChIKey:"PNOXNTGLSKTMQO-UHFFFAOYSA-L","Exact Mass":237.928811,"Molecular Formula":"C4H6O4Sn","Molecular Weight":236.8,"Monoisotopic Mass":237.928811,Charge:0,"Easy Name":"Tin (II) acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C4H6O4Sn1"},69531:{PUBCHEM:{CID:"69531","Compound Complexity":196,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":30,"IUPAC Name Allowed":"Mercuric;octadecanoate","IUPAC Name CAS-like Style":"Mercury(2+);octadecanoate","IUPAC Name Markup":"Mercury(2+);octadecanoate","IUPAC Name Preferred":"Mercury(2+);octadecanoate","IUPAC Name Systematic":"Mercury(2+);octadecanoate","IUPAC Name Traditional":"Mercuric;stearate",InChI:"1S/2C18H36O2.Hg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",InChIKey:"RRFMRVBJWLMSAB-UHFFFAOYSA-L","Exact Mass":768.498054,"Molecular Formula":"C36H70HgO4","Molecular Weight":767.5,"Monoisotopic Mass":768.498054,Charge:0,"Easy Name":"Mercury dioctadecanoate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C36H70Hg1O4"},69649:{PUBCHEM:{CID:"69649","Compound Complexity":72.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,2-dimethylhex-3-ene","IUPAC Name CAS-like Style":"2,2-dimethyl-3-hexene","IUPAC Name Markup":"2,2-dimethylhex-3-ene","IUPAC Name Preferred":"2,2-dimethylhex-3-ene","IUPAC Name Systematic":"2,2-dimethylhex-3-ene","IUPAC Name Traditional":"2,2-dimethylhex-3-ene",InChI:"1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3",InChIKey:"JPLZSSHKQZJYTJ-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"2, 2-dimethylhex-3-ene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},69675:{PUBCHEM:{CID:"69675","Compound Complexity":80.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"N,3-dimethylaniline","IUPAC Name CAS-like Style":"N,3-dimethylaniline","IUPAC Name Markup":"N,3-dimethylaniline","IUPAC Name Preferred":"N,3-dimethylaniline","IUPAC Name Systematic":"N,3-dimethylaniline","IUPAC Name Traditional":"Methyl(m-tolyl)amine",InChI:"1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3",InChIKey:"FBGJJTQNZVNEQU-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":121.08914936,"Molecular Formula":"C8H11N","Molecular Weight":121.18,"Monoisotopic Mass":121.08914936,Charge:0,"Easy Name":"N, 3-dimethylaniline","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C8H11N1"},69817:{PUBCHEM:{CID:"69817","Compound Complexity":57.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Hex-5-enal","IUPAC Name CAS-like Style":"5-hexenal","IUPAC Name Markup":"Hex-5-enal","IUPAC Name Preferred":"Hex-5-enal","IUPAC Name Systematic":"Hex-5-enal","IUPAC Name Traditional":"Hex-5-enal",InChI:"1S/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2",InChIKey:"USLRUYZDOLMIRJ-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":98.073164942,"Molecular Formula":"C6H10O","Molecular Weight":98.14,"Monoisotopic Mass":98.073164942,Charge:0,"Easy Name":"5-Hexenal","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1"},69907:{PUBCHEM:{CID:"69907","Compound Complexity":204,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,1-diphenylpropan-2-one","IUPAC Name CAS-like Style":"1,1-diphenyl-2-propanone","IUPAC Name Markup":"1,1-diphenylpropan-2-one","IUPAC Name Preferred":"1,1-diphenylpropan-2-one","IUPAC Name Systematic":"1,1-diphenylpropan-2-one","IUPAC Name Traditional":"1,1-diphenylacetone",InChI:"1S/C15H14O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3",InChIKey:"DBNWBEGCONIRGQ-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":210.10446507,"Molecular Formula":"C15H14O","Molecular Weight":210.27,"Monoisotopic Mass":210.10446507,Charge:0,"Easy Name":"1, 1-Diphenylacetone","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C15H14O1"},69938:{PUBCHEM:{CID:"69938","Compound Complexity":107,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Chlorosulfonyloxymethane","IUPAC Name CAS-like Style":"Chlorosulfonyloxymethane","IUPAC Name Markup":"Chlorosulfonyloxymethane","IUPAC Name Preferred":"Chlorosulfonyloxymethane","IUPAC Name Systematic":"Chloranylsulfonyloxymethane","IUPAC Name Traditional":"Chlorosulfonyloxymethane",InChI:"1S/CH3ClO3S/c1-5-6(2,3)4/h1H3",InChIKey:"KNVLCWQKYHCADB-UHFFFAOYSA-N","Log P":.4,"Exact Mass":129.9491428,"Molecular Formula":"CH3ClO3S","Molecular Weight":130.55,"Monoisotopic Mass":129.9491428,Charge:0,"Easy Name":"Methyl chlorosulphonate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C1Cl1H3O3S1"},70076:{PUBCHEM:{CID:"70076","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichloro-lambda3-iodane","IUPAC Name CAS-like Style":"Trichloro-lambda3-iodane","IUPAC Name Markup":"Trichloro-λ3-iodane","IUPAC Name Preferred":"Trichloro-lambda3-iodane","IUPAC Name Systematic":"Tris(chloranyl)-lambda3-iodane","IUPAC Name Traditional":"Trichloro-lambda3-iodane",InChI:"1S/Cl3I/c1-4(2)3",InChIKey:"PAWIVBWALDNUJP-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":231.81103,"Molecular Formula":"Cl3I","Molecular Weight":233.26,"Monoisotopic Mass":231.81103,Charge:0,"Easy Name":"Iodine trichloride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cl3I1"},70119:{PUBCHEM:{CID:"70119","Compound Complexity":77,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(4-bromophenyl)methanol","IUPAC Name CAS-like Style":"(4-bromophenyl)methanol","IUPAC Name Markup":"(4-bromophenyl)methanol","IUPAC Name Preferred":"(4-bromophenyl)methanol","IUPAC Name Systematic":"(4-bromophenyl)methanol","IUPAC Name Traditional":"(4-bromophenyl)methanol",InChI:"1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",InChIKey:"VEDDBHYQWFOITD-UHFFFAOYSA-N","Log P":2,"Exact Mass":185.96803,"Molecular Formula":"C7H7BrO","Molecular Weight":187.03,"Monoisotopic Mass":185.96803,Charge:0,"Easy Name":"4-bromobenzyl alcohol","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br1C7H7O1"},70274:{PUBCHEM:{CID:"70274","Compound Complexity":69.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4,6-trichloro-1,3,5,2,4,6-triazatriborinane","IUPAC Name CAS-like Style":"2,4,6-trichloro-1,3,5,2,4,6-triazatriborinane","IUPAC Name Markup":"2,4,6-trichloro-1,3,5,2,4,6-triazatriborinane","IUPAC Name Preferred":"2,4,6-trichloro-1,3,5,2,4,6-triazatriborinane","IUPAC Name Systematic":"2,4,6-tris(chloranyl)-1,3,5,2,4,6-triazatriborinane","IUPAC Name Traditional":"2,4,6-trichloro-1,3,5,2,4,6-triazatriborinane",InChI:"1S/B3Cl3H3N3/c4-1-7-2(5)9-3(6)8-1/h7-9H",InChIKey:"IJXPQKHXJCOFGH-UHFFFAOYSA-N","Exact Mass":182.967171,"Molecular Formula":"B3Cl3H3N3","Molecular Weight":183.8,"Monoisotopic Mass":182.967171,Charge:0,"Easy Name":"2, 4, 6-trichloroborazine","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"B3Cl3H3N3"},70751:{PUBCHEM:{CID:"70751","Compound Complexity":219,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one","IUPAC Name CAS-like Style":"6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one","IUPAC Name Markup":"6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one","IUPAC Name Preferred":"6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one","IUPAC Name Systematic":"6-azanyl-5-(hydroxymethyl)-1H-pyrimidin-2-one","IUPAC Name Traditional":"6-amino-5-methylol-1H-pyrimidin-2-one",InChI:"1S/C5H7N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10)",InChIKey:"RYVNIFSIEDRLSJ-UHFFFAOYSA-N","Log P":-1.5,"Exact Mass":141.053826478,"Molecular Formula":"C5H7N3O2","Molecular Weight":141.13,"Monoisotopic Mass":141.053826478,Charge:0,"Easy Name":"5-Hydroxymethylcytosine","Easy Category":"Nucleobase"},HSDB:{},ReducedFormula:"C5H7N3O2"},70900:{PUBCHEM:{CID:"70900","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichlorogermane","IUPAC Name CAS-like Style":"Trichlorogermane","IUPAC Name Markup":"Trichlorogermane","IUPAC Name Preferred":"Trichlorogermane","IUPAC Name Systematic":"Tris(chloranyl)germane","IUPAC Name Traditional":"Trichlorogermane",InChI:"1S/Cl3GeH/c1-4(2)3/h4H",InChIKey:"MUDDKLJPADVVKF-UHFFFAOYSA-N","Exact Mass":179.835561,"Molecular Formula":"Cl3GeH","Molecular Weight":180,"Monoisotopic Mass":179.835561,Charge:0,"Easy Name":"Trichlorogermane","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Cl3Ge1H1"},70962:{PUBCHEM:{CID:"70962","Compound Complexity":149,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,5R)-2-isopropyl-5-methyl-cyclohexanone","IUPAC Name CAS-like Style":"(2R,5R)-5-methyl-2-propan-2-yl-1-cyclohexanone","IUPAC Name Markup":"(2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one","IUPAC Name Preferred":"(2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one","IUPAC Name Systematic":"(2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one","IUPAC Name Traditional":"(2R,5R)-2-isopropyl-5-methyl-cyclohexanone",InChI:"1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1",InChIKey:"NFLGAXVYCFJBMK-RKDXNWHRSA-N","Log P":2.7,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":"Iso-Mentone","Easy Category":"Terpenoid"},HSDB:{},ReducedFormula:"C10H18O1"},71028:{PUBCHEM:{CID:"71028","Compound Complexity":258,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","IUPAC Name CAS-like Style":"6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","IUPAC Name Markup":"6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","IUPAC Name Preferred":"6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","IUPAC Name Systematic":"6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","IUPAC Name Traditional":"6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline",InChI:"1S/C13H16N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3",InChIKey:"RDUORFDQRFHYBF-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":216.12626314,"Molecular Formula":"C13H16N2O","Molecular Weight":216.28,"Monoisotopic Mass":216.12626314,Charge:0,"Easy Name":"6-MeO-THH","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C13H16N2O1"},71077:{PUBCHEM:{CID:"71077","Compound Complexity":72.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R)-2-amino-3-hydroxy-propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-3-hydroxypropanoic acid","IUPAC Name Markup":"(2R)-2-amino-3-hydroxypropanoic acid","IUPAC Name Preferred":"(2R)-2-amino-3-hydroxypropanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-3-oxidanyl-propanoic acid","IUPAC Name Traditional":"(2R)-2-amino-3-hydroxy-propionic acid",InChI:"1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",InChIKey:"MTCFGRXMJLQNBG-UWTATZPHSA-N","Log P":-3.1,"Exact Mass":105.042593089,"Molecular Formula":"C3H7NO3","Molecular Weight":105.09,"Monoisotopic Mass":105.042593089,Charge:0,"Easy Name":"D-Serine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C3H7N1O3"},71081:{PUBCHEM:{CID:"71081","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxalate","IUPAC Name CAS-like Style":"Oxalate","IUPAC Name Markup":"Oxalate","IUPAC Name Preferred":"Oxalate","IUPAC Name Systematic":"Ethanedioate","IUPAC Name Traditional":"Oxalate",InChI:"1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2",InChIKey:"MUBZPKHOEPUJKR-UHFFFAOYSA-L","Log P":1,"Exact Mass":87.979658478,"Molecular Formula":"C2O4-2","Molecular Weight":88.02,"Monoisotopic Mass":87.979658478,Charge:-2,"Easy Name":"Oxalate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2C2O4"},71082:{PUBCHEM:{CID:"71082","Compound Complexity":95,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R)-2,5-diaminopentanoic acid","IUPAC Name CAS-like Style":"(2R)-2,5-diaminopentanoic acid","IUPAC Name Markup":"(2R)-2,5-diaminopentanoic acid","IUPAC Name Preferred":"(2R)-2,5-diaminopentanoic acid","IUPAC Name Systematic":"(2R)-2,5-bis(azanyl)pentanoic acid","IUPAC Name Traditional":"(2R)-2,5-diaminovaleric acid",InChI:"1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1",InChIKey:"AHLPHDHHMVZTML-SCSAIBSYSA-N","Log P":-4.4,"Exact Mass":132.08987763,"Molecular Formula":"C5H12N2O2","Molecular Weight":132.16,"Monoisotopic Mass":132.08987763,Charge:0,"Easy Name":"D-Ornithine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C5H12N2O2"},71098:{PUBCHEM:{CID:"71098","Compound Complexity":176,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Markup":"(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Preferred":"(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Traditional":"(2R)-2-amino-3-(4-hydroxyphenyl)propionic acid",InChI:"1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1",InChIKey:"OUYCCCASQSFEME-MRVPVSSYSA-N","Log P":-2.3,"Exact Mass":181.07389322,"Molecular Formula":"C9H11NO3","Molecular Weight":181.19,"Monoisotopic Mass":181.07389322,Charge:0,"Easy Name":" (2R)-2-amino-3- (4-hydroxyphenyl)propanoic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C9H11N1O3"},71485:{PUBCHEM:{CID:"71485","Compound Complexity":405,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-5-chloro-6-(hydroxymethyl)tetrahydropyran-3,4-diol","IUPAC Name CAS-like Style":"(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxy-2-oxolanyl]oxy]-5-chloro-6-(hydroxymethyl)oxane-3,4-diol","IUPAC Name Markup":"(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol","IUPAC Name Preferred":"(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol","IUPAC Name Systematic":"(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-chloranyl-6-(hydroxymethyl)oxane-3,4-diol","IUPAC Name Traditional":"(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-5-chloro-6-methylol-tetrahydropyran-3,4-diol",InChI:"1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1",InChIKey:"BAQAVOSOZGMPRM-QBMZZYIRSA-N","Log P":-1.5,"Exact Mass":396.014551,"Molecular Formula":"C12H19Cl3O8","Molecular Weight":397.6,"Monoisotopic Mass":396.014551,Charge:0,"Easy Name":"Sucralose","Easy Category":"Food additive"},HSDB:{"Color And Form":{Value:"White to off white, crystalline powder"},"Melting Point":{Value:"130 °C"},Solubility:{Value:"Freely soluble in methanol, alcohol; slightly soluble in ethyl acetate"},Taste:{Value:"Intensely sweet taste"},"Vapor Pressure":{Value:"3.25X10-14 mm Hg at 25 °C (est)"}},ReducedFormula:"C12Cl3H19O8"},71567:{PUBCHEM:{CID:"71567","Compound Complexity":153,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R)-2-amino-3-phenyl-propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-3-phenylpropanoic acid","IUPAC Name Markup":"(2R)-2-amino-3-phenylpropanoic acid","IUPAC Name Preferred":"(2R)-2-amino-3-phenylpropanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-3-phenyl-propanoic acid","IUPAC Name Traditional":"(2R)-2-amino-3-phenyl-propionic acid",InChI:"1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",InChIKey:"COLNVLDHVKWLRT-MRVPVSSYSA-N","Log P":-1.5,"Exact Mass":165.0789786,"Molecular Formula":"C9H11NO2","Molecular Weight":165.19,"Monoisotopic Mass":165.0789786,Charge:0,"Easy Name":"D-Phenylalanine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C9H11N1O2"},71777:{PUBCHEM:{CID:"71777","Compound Complexity":677,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluoro-benzamide","IUPAC Name CAS-like Style":"N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)anilino]-oxomethyl]-2,6-difluorobenzamide","IUPAC Name Markup":"N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide","IUPAC Name Preferred":"N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide","IUPAC Name Systematic":"N-[[2,5-bis(chloranyl)-4-[1,1,2,3,3,3-hexakis(fluoranyl)propoxy]phenyl]carbamoyl]-2,6-bis(fluoranyl)benzamide","IUPAC Name Traditional":"N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluoro-benzamide",InChI:"1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)",InChIKey:"PWPJGUXAGUPAHP-UHFFFAOYSA-N","Log P":6.4,"Exact Mass":509.9784228,"Molecular Formula":"C17H8Cl2F8N2O3","Molecular Weight":511.1,"Monoisotopic Mass":509.9784228,Charge:0,"Easy Name":"Lufenuron","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C17Cl2F8H8N2O3"},71793:{PUBCHEM:{CID:"71793","Compound Complexity":409,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-yl-urea","IUPAC Name CAS-like Style":"1-(4-chlorophenyl)sulfonyl-3-(1-pyrrolidinyl)urea","IUPAC Name Markup":"1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylurea","IUPAC Name Preferred":"1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylurea","IUPAC Name Systematic":"1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-yl-urea","IUPAC Name Traditional":"1-(4-chlorophenyl)sulfonyl-3-pyrrolidino-urea",InChI:"1S/C11H14ClN3O3S/c12-9-3-5-10(6-4-9)19(17,18)14-11(16)13-15-7-1-2-8-15/h3-6H,1-2,7-8H2,(H2,13,14,16)",InChIKey:"HNSCCNJWTJUGNQ-UHFFFAOYSA-N","Log P":.9,"Exact Mass":303.0444402,"Molecular Formula":"C11H14ClN3O3S","Molecular Weight":303.77,"Monoisotopic Mass":303.0444402,Charge:0,"Easy Name":"Glyclopyramide","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C11Cl1H14N3O3S1"},72276:{PUBCHEM:{CID:"72276","Compound Complexity":364,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol","IUPAC Name CAS-like Style":"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","IUPAC Name Markup":"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Preferred":"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Systematic":"(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Traditional":"(2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol",InChI:"1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",InChIKey:"PFTAWBLQPZVEMU-UKRRQHHQSA-N","Log P":.4,"Exact Mass":290.07903817,"Molecular Formula":"C15H14O6","Molecular Weight":290.27,"Monoisotopic Mass":290.07903817,Charge:0,"Easy Name":"L-Epicatechin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H14O6"},72277:{PUBCHEM:{CID:"72277","Compound Complexity":380,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":6,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol","IUPAC Name CAS-like Style":"(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","IUPAC Name Markup":"(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Preferred":"(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Systematic":"(2R,3R)-2-[3,4,5-tris(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Traditional":"(2R,3R)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol",InChI:"1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",InChIKey:"XMOCLSLCDHWDHP-IUODEOHRSA-N","Log P":0,"Exact Mass":306.07395279,"Molecular Formula":"C15H14O7","Molecular Weight":306.27,"Monoisotopic Mass":306.07395279,Charge:0,"Easy Name":"Epigallocatechin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H14O7"},72279:{PUBCHEM:{CID:"72279","Compound Complexity":355,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"6-hydroxy-2-phenyl-chromen-4-one","IUPAC Name CAS-like Style":"6-hydroxy-2-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"6-hydroxy-2-phenylchromen-4-one","IUPAC Name Preferred":"6-hydroxy-2-phenylchromen-4-one","IUPAC Name Systematic":"6-oxidanyl-2-phenyl-chromen-4-one","IUPAC Name Traditional":"6-hydroxy-2-phenyl-chromone",InChI:"1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H",InChIKey:"GPZYYYGYCRFPBU-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":238.06299418,"Molecular Formula":"C15H10O3","Molecular Weight":238.24,"Monoisotopic Mass":238.06299418,Charge:0,"Easy Name":"6-Hydroxyflavone","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O3"},72281:{PUBCHEM:{CID:"72281","Compound Complexity":413,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one","IUPAC Name CAS-like Style":"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"(2S)-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one",InChI:"1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",InChIKey:"AIONOLUJZLIMTK-AWEZNQCLSA-N","Log P":2.4,"Exact Mass":302.07903817,"Molecular Formula":"C16H14O6","Molecular Weight":302.28,"Monoisotopic Mass":302.07903817,Charge:0,"Easy Name":"Hesperetin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C16H14O6"},72300:{PUBCHEM:{CID:"72300","Compound Complexity":293,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol","IUPAC Name CAS-like Style":"2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol","IUPAC Name Markup":"2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol","IUPAC Name Preferred":"2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol","IUPAC Name Systematic":"2-(2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol","IUPAC Name Traditional":"4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol",InChI:"1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2",InChIKey:"VVOAZFWZEDHOOU-UHFFFAOYSA-N","Log P":5,"Exact Mass":266.13067982,"Molecular Formula":"C18H18O2","Molecular Weight":266.3,"Monoisotopic Mass":266.13067982,Charge:0,"Easy Name":"Magnolol","Easy Category":"Lignans"},HSDB:{"Melting Point":{Value:"101.5-102 °C"},Solubility:{Value:"In water, 1.24 mg/L at 25 °C (est)"},Uses:{Value:"Magnolol and honokiol, biphenyl compounds, were isolated as anti-emetic principles from the methanolic extract of Magnolia obovata bark."},"Vapor Pressure":{Value:"4.37X10-7 mm Hg at 25 °C (est)"}},ReducedFormula:"C18H18O2"},72303:{PUBCHEM:{CID:"72303","Compound Complexity":325,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol","IUPAC Name CAS-like Style":"2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol","IUPAC Name Markup":"2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol","IUPAC Name Preferred":"2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol","IUPAC Name Systematic":"2-(4-oxidanyl-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol","IUPAC Name Traditional":"4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol",InChI:"1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2",InChIKey:"FVYXIJYOAGAUQK-UHFFFAOYSA-N","Log P":5,"Exact Mass":266.13067982,"Molecular Formula":"C18H18O2","Molecular Weight":266.3,"Monoisotopic Mass":266.13067982,Charge:0,"Easy Name":"Honokiol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C18H18O2"},72304:{PUBCHEM:{CID:"72304","Compound Complexity":326,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"3-phenylchromen-4-one","IUPAC Name CAS-like Style":"3-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"3-phenylchromen-4-one","IUPAC Name Preferred":"3-phenylchromen-4-one","IUPAC Name Systematic":"3-phenylchromen-4-one","IUPAC Name Traditional":"Isoflavone",InChI:"1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H",InChIKey:"GOMNOOKGLZYEJT-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":222.068079562,"Molecular Formula":"C15H10O2","Molecular Weight":222.24,"Monoisotopic Mass":222.068079562,Charge:0,"Easy Name":"Isoflavone","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C15H10O2"},72307:{PUBCHEM:{CID:"72307","Compound Complexity":482,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole","IUPAC Name CAS-like Style":"5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole","IUPAC Name Markup":"5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole","IUPAC Name Preferred":"5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole","IUPAC Name Systematic":"5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole","IUPAC Name Traditional":"5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole",InChI:"1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1",InChIKey:"PEYUIKBAABKQKQ-AFHBHXEDSA-N","Log P":2.7,"Exact Mass":354.1103383,"Molecular Formula":"C20H18O6","Molecular Weight":354.4,"Monoisotopic Mass":354.1103383,Charge:0,"Easy Name":" (+)-Sesamin","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H18O6"},72323:{PUBCHEM:{CID:"72323","Compound Complexity":461,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol","IUPAC Name CAS-like Style":"2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol","IUPAC Name Markup":"2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol","IUPAC Name Preferred":"2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol","IUPAC Name Systematic":"2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol","IUPAC Name Traditional":"2,9,10-trimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-3-ol",InChI:"1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1",InChIKey:"MXTLAHSTUOXGQF-UHFFFAOYSA-O","Log P":3.4,"Exact Mass":338.13923313,"Molecular Formula":"C20H20NO4+","Molecular Weight":338.4,"Monoisotopic Mass":338.13923313,Charge:1,"Easy Name":"Jatrorrhizine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"+1C20H20N1O4"},72521:{PUBCHEM:{CID:"72521","Compound Complexity":501,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione","IUPAC Name CAS-like Style":"5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione","IUPAC Name Markup":"5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione","IUPAC Name Preferred":"5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione","IUPAC Name Systematic":"2-[(1S)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione","IUPAC Name Traditional":"5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methyl-pent-3-enyl]-1,4-naphthoquinone",InChI:"1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1",InChIKey:"NEZONWMXZKDMKF-JTQLQIEISA-N","Log P":3,"Exact Mass":288.09977361,"Molecular Formula":"C16H16O5","Molecular Weight":288.29,"Monoisotopic Mass":288.09977361,Charge:0,"Easy Name":" (-)-Alkannin","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C16H16O5"},72805:{PUBCHEM:{CID:"72805","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","IUPAC Name CAS-like Style":"1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","IUPAC Name Markup":"1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","IUPAC Name Preferred":"1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","IUPAC Name Systematic":"1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","IUPAC Name Traditional":"1,4,10,13-tetraoxa-7,16-diazacyclooctadecane",InChI:"1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2",InChIKey:"NLMDJJTUQPXZFG-UHFFFAOYSA-N","Log P":-1.4,"Exact Mass":262.18925733,"Molecular Formula":"C12H26N2O4","Molecular Weight":262.35,"Monoisotopic Mass":262.18925733,Charge:0,"Easy Name":"Cryptand 2.2","Easy Category":"Crown ether"},HSDB:{},ReducedFormula:"C12H26N2O4"},72850:{PUBCHEM:{CID:"72850","Compound Complexity":85,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(2-bromophenyl)methanol","IUPAC Name CAS-like Style":"(2-bromophenyl)methanol","IUPAC Name Markup":"(2-bromophenyl)methanol","IUPAC Name Preferred":"(2-bromophenyl)methanol","IUPAC Name Systematic":"(2-bromophenyl)methanol","IUPAC Name Traditional":"(2-bromophenyl)methanol",InChI:"1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2",InChIKey:"IOWGHQGLUMEZKG-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":185.96803,"Molecular Formula":"C7H7BrO","Molecular Weight":187.03,"Monoisotopic Mass":185.96803,Charge:0,"Easy Name":"2-Bromobenzyl alcohol","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br1C7H7O1"},72853:{PUBCHEM:{CID:"72853","Compound Complexity":271,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"13-cyclopent-2-en-1-yltridecanoic acid","IUPAC Name CAS-like Style":"13-(1-cyclopent-2-enyl)tridecanoic acid","IUPAC Name Markup":"13-cyclopent-2-en-1-yltridecanoic acid","IUPAC Name Preferred":"13-cyclopent-2-en-1-yltridecanoic acid","IUPAC Name Systematic":"13-cyclopent-2-en-1-yltridecanoic acid","IUPAC Name Traditional":"13-cyclopent-2-en-1-yltridecanoic acid",InChI:"1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)",InChIKey:"XMVQWNRDPAAMJB-UHFFFAOYSA-N","Log P":7,"Exact Mass":280.24023027,"Molecular Formula":"C18H32O2","Molecular Weight":280.4,"Monoisotopic Mass":280.24023027,Charge:0,"Easy Name":"Hydnocarpylacetic Acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H32O2"},72886:{PUBCHEM:{CID:"72886","Compound Complexity":214,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R)-2-amino-3-sulfo-propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-3-sulfopropanoic acid","IUPAC Name Markup":"(2R)-2-amino-3-sulfopropanoic acid","IUPAC Name Preferred":"(2R)-2-amino-3-sulfopropanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-3-sulfo-propanoic acid","IUPAC Name Traditional":"(2R)-2-amino-3-sulfo-propionic acid",InChI:"1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1",InChIKey:"XVOYSCVBGLVSOL-REOHCLBHSA-N","Log P":-4.5,"Exact Mass":169.0044935,"Molecular Formula":"C3H7NO5S","Molecular Weight":169.16,"Monoisotopic Mass":169.0044935,Charge:0,"Easy Name":"L-Cysteic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C3H7N1O5S1"},72905:{PUBCHEM:{CID:"72905","Compound Complexity":244,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(3-nitrophenyl)arsonic acid","IUPAC Name CAS-like Style":"(3-nitrophenyl)arsonic acid","IUPAC Name Markup":"(3-nitrophenyl)arsonic acid","IUPAC Name Preferred":"(3-nitrophenyl)arsonic acid","IUPAC Name Systematic":"(3-nitrophenyl)arsonic acid","IUPAC Name Traditional":"(3-nitrophenyl)arsonic acid",InChI:"1S/C6H6AsNO5/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4H,(H2,9,10,11)",InChIKey:"MDFUVLDZVFTYSX-UHFFFAOYSA-N","Exact Mass":246.946192,"Molecular Formula":"C6H6AsNO5","Molecular Weight":247.04,"Monoisotopic Mass":246.946192,Charge:0,"Easy Name":"3-Nitrophenylarsonic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"As1C6H6N1O5"},72912:{PUBCHEM:{CID:"72912","Compound Complexity":228,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"4-aminophthalic acid","IUPAC Name CAS-like Style":"4-aminophthalic acid","IUPAC Name Markup":"4-aminophthalic acid","IUPAC Name Preferred":"4-aminophthalic acid","IUPAC Name Systematic":"4-azanylphthalic acid","IUPAC Name Traditional":"4-aminophthalic acid",InChI:"1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)",InChIKey:"OXSANYRLJHSQEP-UHFFFAOYSA-N","Log P":.7,"Exact Mass":181.037507709,"Molecular Formula":"C8H7NO4","Molecular Weight":181.15,"Monoisotopic Mass":181.037507709,Charge:0,"Easy Name":"4-Aminophthalic acid","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C8H7N1O4"},73013:{PUBCHEM:{CID:"73013","Compound Complexity":615,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"4-[3-(4-hydroxy-3-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methyl-phenol","IUPAC Name CAS-like Style":"4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methylphenol","IUPAC Name Markup":"4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-methylphenol","IUPAC Name Preferred":"4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methylphenol","IUPAC Name Systematic":"2-methyl-4-[3-(3-methyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Traditional":"4-[3-(4-hydroxy-3-methyl-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-2-methyl-phenol",InChI:"1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3",InChIKey:"OBRMNDMBJQTZHV-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":382.08749485,"Molecular Formula":"C21H18O5S","Molecular Weight":382.4,"Monoisotopic Mass":382.08749485,Charge:0,"Easy Name":"Cresol Red","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C21H18O5S1"},73030:{PUBCHEM:{CID:"73030","Compound Complexity":615,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"4-[3-(4-hydroxy-2-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methyl-phenol","IUPAC Name CAS-like Style":"4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methylphenol","IUPAC Name Markup":"4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol","IUPAC Name Preferred":"4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methylphenol","IUPAC Name Systematic":"3-methyl-4-[3-(2-methyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Traditional":"4-[3-(4-hydroxy-2-methyl-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-3-methyl-phenol",InChI:"1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3",InChIKey:"OLQIKGSZDTXODA-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":382.08749485,"Molecular Formula":"C21H18O5S","Molecular Weight":382.4,"Monoisotopic Mass":382.08749485,Charge:0,"Easy Name":"Metacresol purple","Easy Category":"Sulfonic acid"},HSDB:{},ReducedFormula:"C21H18O5S1"},73037:{PUBCHEM:{CID:"73037","Compound Complexity":1300,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":2,"Rotatable Bond":12,"IUPAC Name Allowed":"Tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-isopropyl-2-methyl-phenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-isopropyl-6-methyl-phenyl]methyl-(carboxylatomethyl)amino]acetate","IUPAC Name CAS-like Style":"Tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate","IUPAC Name Markup":"Tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate","IUPAC Name Preferred":"Tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate","IUPAC Name Systematic":"Tetrasodium;2-[[3-[3-[3-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl]-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-2-methyl-6-oxidanyl-5-propan-2-yl-phenyl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate","IUPAC Name Traditional":"Tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-isopropyl-2-methyl-phenyl]-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-isopropyl-6-methyl-benzyl]-(carboxylatomethyl)amino]acetate",InChI:"1S/C37H44N2O13S.4Na/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47;;;;/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47);;;;/q;4*+1/p-4",InChIKey:"DIZZDZCUMBBRSG-UHFFFAOYSA-J","Exact Mass":844.18418766,"Molecular Formula":"C37H40N2Na4O13S","Molecular Weight":844.7,"Monoisotopic Mass":844.18418766,Charge:0,"Easy Name":"Methylthymol Blue","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C37H40N2Na4O13S1"},73041:{PUBCHEM:{CID:"73041","Compound Complexity":1170,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":6,"Rotatable Bond":14,"IUPAC Name Allowed":"2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name CAS-like Style":"2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Markup":"2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Preferred":"2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Systematic":"2-[[5-[3-[3-[[bis(2-hydroxy-2-oxoethyl)amino]methyl]-5-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-3-methyl-2-oxidanyl-phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid","IUPAC Name Traditional":"2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methyl-benzyl]-(carboxymethyl)amino]acetic acid",InChI:"1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)",InChIKey:"ORZHVTYKPFFVMG-UHFFFAOYSA-N","Log P":-2.8,"Exact Mass":672.16251027,"Molecular Formula":"C31H32N2O13S","Molecular Weight":672.7,"Monoisotopic Mass":672.16251027,Charge:0,"Easy Name":"Xylenol orange","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C31H32N2O13S1"},73120:{PUBCHEM:{CID:"73120","Compound Complexity":690,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxy-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-chloro-phenol","IUPAC Name CAS-like Style":"2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-chlorophenol","IUPAC Name Markup":"2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-chlorophenol","IUPAC Name Preferred":"2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-chlorophenol","IUPAC Name Systematic":"2-bromanyl-4-[3-(3-bromanyl-5-chloranyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-6-chloranyl-phenol","IUPAC Name Traditional":"2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxy-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]-6-chloro-phenol",InChI:"1S/C19H10Br2Cl2O5S/c20-12-5-9(7-14(22)17(12)24)19(10-6-13(21)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H",InChIKey:"MDGFKZKMIQQRPU-UHFFFAOYSA-N","Log P":5.7,"Exact Mass":579.79723,"Molecular Formula":"C19H10Br2Cl2O5S","Molecular Weight":581.1,"Monoisotopic Mass":577.79928,Charge:0,"Easy Name":"Bromochlorophenol Blue","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C19Cl2H10O5S1"},73281:{PUBCHEM:{CID:"73281","Compound Complexity":642,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-pyridine-3-carboxamide","IUPAC Name CAS-like Style":"2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-N,N-dimethyl-3-pyridinecarboxamide","IUPAC Name Markup":"2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide","IUPAC Name Preferred":"2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide","IUPAC Name Systematic":"2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-pyridine-3-carboxamide","IUPAC Name Traditional":"2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-nicotinamide",InChI:"1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)",InChIKey:"RTCOGUMHFFWOJV-UHFFFAOYSA-N","Log P":.6,"Exact Mass":410.1008535,"Molecular Formula":"C15H18N6O6S","Molecular Weight":410.4,"Monoisotopic Mass":410.1008535,Charge:0,"Easy Name":"Nicosulfuron","Easy Category":"Sulfonylurea"},HSDB:{"Color And Form":{Value:"Colorless white solid"},Density:{Value:"9.53 g/mL"},"Melting Point":{Value:"172 °C"},Odor:{Value:"Phenolic"},Solubility:{Value:"Solubilities (all in g/kg, 25 °C): acetone 18, ethanol 4.5, chloroform, DMF 64, acetonitrile 23, toluene 0.370, hexane <0.02, dichloromethane 160"},"Vapor Pressure":{Value:"<8X10-7 mPa /<6.0X10-12 mm Hg/ at 25 °C"}},ReducedFormula:"C15H18N6O6S1"},73386:{PUBCHEM:{CID:"73386","Compound Complexity":406,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"2-(3,4-dihydroxy-5-methoxy-phenyl)chromenylium-3,5,7-triol;chloride","IUPAC Name CAS-like Style":"2-(3,4-dihydroxy-5-methoxyphenyl)-1-benzopyrylium-3,5,7-triol;chloride","IUPAC Name Markup":"2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol;chloride","IUPAC Name Preferred":"2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol;chloride","IUPAC Name Systematic":"2-[3-methoxy-4,5-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol;chloride","IUPAC Name Traditional":"2-(3,4-dihydroxy-5-methoxy-phenyl)-1-benzopyrylium-3,5,7-triol;chloride",InChI:"1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H",InChIKey:"QULMBDNPZCFSPR-UHFFFAOYSA-N","Exact Mass":352.0349805,"Molecular Formula":"C16H13ClO7","Molecular Weight":352.72,"Monoisotopic Mass":352.0349805,Charge:0,"Easy Name":"Petunidin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"C16Cl1H13O7"},73498:{PUBCHEM:{CID:"73498","Compound Complexity":789,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol","IUPAC Name CAS-like Style":"(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyl-2-oxanyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol","IUPAC Name Markup":"(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol","IUPAC Name Preferred":"(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol","IUPAC Name Systematic":"(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol","IUPAC Name Traditional":"(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol",InChI:"1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1",InChIKey:"PVLHOJXLNBFHDX-XHJPDDKBSA-N","Log P":6.9,"Exact Mass":460.39164554,"Molecular Formula":"C30H52O3","Molecular Weight":460.7,"Monoisotopic Mass":460.39164554,Charge:0,"Easy Name":"Panaxadiol","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H52O3"},73750:{PUBCHEM:{CID:"73750","Compound Complexity":42.2,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"S-methyl ethanethioate","IUPAC Name CAS-like Style":"Ethanethioic acid S-methyl ester","IUPAC Name Markup":"S-methyl ethanethioate","IUPAC Name Preferred":"S-methyl ethanethioate","IUPAC Name Systematic":"S-methyl ethanethioate","IUPAC Name Traditional":"Ethanethioic acid S-methyl ester",InChI:"1S/C3H6OS/c1-3(4)5-2/h1-2H3",InChIKey:"OATSQCXMYKYFQO-UHFFFAOYSA-N","Log P":.7,"Exact Mass":90.01393599,"Molecular Formula":"C3H6OS","Molecular Weight":90.15,"Monoisotopic Mass":90.01393599,Charge:0,"Easy Name":"S-Methyl thioacetate","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C3H6O1S1"},73777:{PUBCHEM:{CID:"73777","Compound Complexity":210,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"5-phenylpenta-2,4-dienoic acid","IUPAC Name CAS-like Style":"5-phenylpenta-2,4-dienoic acid","IUPAC Name Markup":"5-phenylpenta-2,4-dienoic acid","IUPAC Name Preferred":"5-phenylpenta-2,4-dienoic acid","IUPAC Name Systematic":"5-phenylpenta-2,4-dienoic acid","IUPAC Name Traditional":"5-phenylpenta-2,4-dienoic acid",InChI:"1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)",InChIKey:"FEIQOMCWGDNMHM-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":174.068079562,"Molecular Formula":"C11H10O2","Molecular Weight":174.2,"Monoisotopic Mass":174.068079562,Charge:0,"Easy Name":"Cinnamalacetic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C11H10O2"},73801:{PUBCHEM:{CID:"73801","Compound Complexity":632,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"7-(dimethylamino)-4-hydroxy-3-oxo-phenoxazin-10-ium-1-carboxylic acid;chloride","IUPAC Name CAS-like Style":"7-(dimethylamino)-4-hydroxy-3-oxo-1-phenoxazin-10-iumcarboxylic acid;chloride","IUPAC Name Markup":"7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylic acid;chloride","IUPAC Name Preferred":"7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylic acid;chloride","IUPAC Name Systematic":"7-(dimethylamino)-4-oxidanyl-3-oxidanylidene-phenoxazin-10-ium-1-carboxylic acid;chloride","IUPAC Name Traditional":"7-(dimethylamino)-4-hydroxy-3-keto-phenoxazin-10-ium-1-carboxylic acid;chloride",InChI:"1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H",InChIKey:"AQSOTOUQTVJNMY-UHFFFAOYSA-N","Exact Mass":336.0512992,"Molecular Formula":"C15H13ClN2O5","Molecular Weight":336.72,"Monoisotopic Mass":336.0512992,Charge:0,"Easy Name":"Gallocyanine","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C15Cl1H13N2O5"},73963:{PUBCHEM:{CID:"73963","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxocerium","IUPAC Name CAS-like Style":"Dioxocerium","IUPAC Name Markup":"Dioxocerium","IUPAC Name Preferred":"Dioxocerium","IUPAC Name Systematic":"Bis(oxidanylidene)cerium","IUPAC Name Traditional":"Diketocerium",InChI:"1S/Ce.2O",InChIKey:"CETPSERCERDGAM-UHFFFAOYSA-N","Exact Mass":171.89528,"Molecular Formula":"CeO2","Molecular Weight":172.11,"Monoisotopic Mass":171.89528,Charge:0,"Easy Name":"Cerium (IV) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Ce1O2"},73964:{PUBCHEM:{CID:"73964","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;trihydroxide","IUPAC Name CAS-like Style":"Iron(3+);trihydroxide","IUPAC Name Markup":"Iron(3+);trihydroxide","IUPAC Name Preferred":"Iron(3+);trihydroxide","IUPAC Name Systematic":"Iron(3+);trihydroxide","IUPAC Name Traditional":"Ferric;trihydroxide",InChI:"1S/Fe.3H2O/h;3*1H2/q+3;;;/p-3",InChIKey:"MSNWSDPPULHLDL-UHFFFAOYSA-K","Exact Mass":106.943155,"Molecular Formula":"FeH3O3","Molecular Weight":106.87,"Monoisotopic Mass":106.943155,Charge:0,"Easy Name":"Iron (3+);trihydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Fe1H3O3"},73965:{PUBCHEM:{CID:"73965","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Manganous;dihydroxide","IUPAC Name CAS-like Style":"Manganese(2+);dihydroxide","IUPAC Name Markup":"Manganese(2+);dihydroxide","IUPAC Name Preferred":"Manganese(2+);dihydroxide","IUPAC Name Systematic":"Manganese(2+);dihydroxide","IUPAC Name Traditional":"Manganous;dihydroxide",InChI:"1S/Mn.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"IPJKJLXEVHOKSE-UHFFFAOYSA-L","Exact Mass":88.943522,"Molecular Formula":"H2MnO2","Molecular Weight":88.953,"Monoisotopic Mass":88.943522,Charge:0,"Easy Name":"Manganese Hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2Mn1O2"},73971:{PUBCHEM:{CID:"73971","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;oxygen(2-)","IUPAC Name CAS-like Style":"Disodium;oxygen(2-)","IUPAC Name Markup":"Disodium;oxygen(2-)","IUPAC Name Preferred":"Disodium;oxygen(2-)","IUPAC Name Systematic":"Disodium;oxygen(2-)","IUPAC Name Traditional":"Disodium;oxygen(2-)",InChI:"1S/2Na.O/q2*+1;-2",InChIKey:"KKCBUQHMOMHUOY-UHFFFAOYSA-N","Exact Mass":61.97445318,"Molecular Formula":"Na2O","Molecular Weight":61.979,"Monoisotopic Mass":61.97445318,Charge:0,"Easy Name":"Sodium oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Na2O1"},73973:{PUBCHEM:{CID:"73973","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;selenium(2-)","IUPAC Name CAS-like Style":"Disodium;selenium(2-)","IUPAC Name Markup":"Disodium;selenium(2-)","IUPAC Name Preferred":"Disodium;selenium(2-)","IUPAC Name Systematic":"Disodium;selenium(2-)","IUPAC Name Traditional":"Disodium;selenium(2-)",InChI:"1S/2Na.Se/q2*+1;-2",InChIKey:"VPQBLCVGUWPDHV-UHFFFAOYSA-N","Exact Mass":125.89606,"Molecular Formula":"Na2Se","Molecular Weight":124.95,"Monoisotopic Mass":125.89606,Charge:0,"Easy Name":"Sodium selenide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2Se1"},73975:{PUBCHEM:{CID:"73975","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;oxygen(2-)","IUPAC Name CAS-like Style":"Strontium;oxygen(2-)","IUPAC Name Markup":"Strontium;oxygen(2-)","IUPAC Name Preferred":"Strontium;oxygen(2-)","IUPAC Name Systematic":"Strontium;oxygen(2-)","IUPAC Name Traditional":"Strontium;oxygen(2-)",InChI:"1S/O.Sr/q-2;+2",InChIKey:"IATRAKWUXMZMIY-UHFFFAOYSA-N","Exact Mass":103.90052688,"Molecular Formula":"OSr","Molecular Weight":103.6,"Monoisotopic Mass":103.90052688,Charge:0,"Easy Name":"Strontium oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O1Sr1"},74002:{PUBCHEM:{CID:"74002","Compound Complexity":86.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxo(oxostibanyloxy)-lambda5-stibane","IUPAC Name CAS-like Style":"Dioxo(oxostibinyloxy)stiborane","IUPAC Name Markup":"Dioxo(oxostibanyloxy)-λ5-stibane","IUPAC Name Preferred":"Dioxo(oxostibanyloxy)-lambda5-stibane","IUPAC Name Systematic":"Bis(oxidanylidene)-oxidanylidenestibanyloxy-lambda5-stibane","IUPAC Name Traditional":"Diketo(ketostibinyloxy)stiborane",InChI:"1S/4O.2Sb",InChIKey:"AHBGXHAWSHTPOM-UHFFFAOYSA-N","Exact Mass":307.78768,"Molecular Formula":"O4Sb2","Molecular Weight":307.52,"Monoisotopic Mass":305.78728,Charge:0,"Easy Name":"Antimony tetroxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O4Sb2"},74013:{PUBCHEM:{CID:"74013","Compound Complexity":61.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trioxouranium","IUPAC Name CAS-like Style":"Trioxouranium","IUPAC Name Markup":"Trioxouranium","IUPAC Name Preferred":"Trioxouranium","IUPAC Name Systematic":"Tris(oxidanylidene)uranium","IUPAC Name Traditional":"Triketouranium",InChI:"1S/3O.U",InChIKey:"JCMLRUNDSXARRW-UHFFFAOYSA-N","Exact Mass":286.03553,"Molecular Formula":"O3U","Molecular Weight":286.027,"Monoisotopic Mass":286.03553,Charge:0,"Easy Name":"Uranium trioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O3U1"},74057:{PUBCHEM:{CID:"74057","Compound Complexity":61.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Trimethyl(trimethylsilyl)silane","IUPAC Name CAS-like Style":"Trimethyl(trimethylsilyl)silane","IUPAC Name Markup":"Trimethyl(trimethylsilyl)silane","IUPAC Name Preferred":"Trimethyl(trimethylsilyl)silane","IUPAC Name Systematic":"Trimethyl(trimethylsilyl)silane","IUPAC Name Traditional":"Trimethyl(trimethylsilyl)silane",InChI:"1S/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3",InChIKey:"NEXSMEBSBIABKL-UHFFFAOYSA-N","Exact Mass":146.09470365,"Molecular Formula":"C6H18Si2","Molecular Weight":146.38,"Monoisotopic Mass":146.09470365,Charge:0,"Easy Name":"Hexamethyldisilane","Easy Category":"Silanes"},HSDB:{},ReducedFormula:"C6H18Si2"},74110:{PUBCHEM:{CID:"74110","Compound Complexity":138,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"[[bis(trimethylsilyl)amino]-dimethyl-silyl]methane","IUPAC Name CAS-like Style":"[[bis(trimethylsilyl)amino]-dimethylsilyl]methane","IUPAC Name Markup":"[[bis(trimethylsilyl)amino]-dimethylsilyl]methane","IUPAC Name Preferred":"[[bis(trimethylsilyl)amino]-dimethylsilyl]methane","IUPAC Name Systematic":"[[bis(trimethylsilyl)amino]-dimethyl-silyl]methane","IUPAC Name Traditional":"Tris(trimethylsilyl)amine",InChI:"1S/C9H27NSi3/c1-11(2,3)10(12(4,5)6)13(7,8)9/h1-9H3",InChIKey:"PEGHITPVRNZWSI-UHFFFAOYSA-N","Exact Mass":233.14512948,"Molecular Formula":"C9H27NSi3","Molecular Weight":233.57,"Monoisotopic Mass":233.14512948,Charge:0,"Easy Name":"Amine, tris (trimethylsilyl)-","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C9H27N1Si3"},74118:{PUBCHEM:{CID:"74118","Compound Complexity":50.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;methanidylbenzene;bromide","IUPAC Name CAS-like Style":"Magnesium;methanidylbenzene;bromide","IUPAC Name Markup":"Magnesium;methanidylbenzene;bromide","IUPAC Name Preferred":"Magnesium;methanidylbenzene;bromide","IUPAC Name Systematic":"Magnesium;methanidylbenzene;bromide","IUPAC Name Traditional":"Magnesium;methanidylbenzene;bromide",InChI:"1S/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q-1;;+2/p-1",InChIKey:"QGEFGPVWRJCFQP-UHFFFAOYSA-M","Exact Mass":193.95815,"Molecular Formula":"C7H7BrMg","Molecular Weight":195.34,"Monoisotopic Mass":193.95815,Charge:0,"Easy Name":"Benzyl (bromo)magnesium","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br1C7H7Mg1"},74123:{PUBCHEM:{CID:"74123","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silylsilane","IUPAC Name CAS-like Style":"Silylsilane","IUPAC Name Markup":"Silylsilane","IUPAC Name Preferred":"Silylsilane","IUPAC Name Systematic":"Silanylsilane","IUPAC Name Traditional":"Silylsilane",InChI:"1S/H6Si2/c1-2/h1-2H3",InChIKey:"PZPGRFITIJYNEJ-UHFFFAOYSA-N","Exact Mass":62.00080326,"Molecular Formula":"H6Si2","Molecular Weight":62.22,"Monoisotopic Mass":62.00080326,Charge:0,"Easy Name":"Disilane","Easy Category":"Silanes"},HSDB:{},ReducedFormula:"H6Si2"},74194:{PUBCHEM:{CID:"74194","Compound Complexity":119,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"N-methyl-N-[tris(dimethylamino)silyl]methanamine","IUPAC Name CAS-like Style":"N-methyl-N-[tris(dimethylamino)silyl]methanamine","IUPAC Name Markup":"N-methyl-N-[tris(dimethylamino)silyl]methanamine","IUPAC Name Preferred":"N-methyl-N-[tris(dimethylamino)silyl]methanamine","IUPAC Name Systematic":"N-methyl-N-[tris(dimethylamino)silyl]methanamine","IUPAC Name Traditional":"Dimethyl-[tris(dimethylamino)silyl]amine",InChI:"1S/C8H24N4Si/c1-9(2)13(10(3)4,11(5)6)12(7)8/h1-8H3",InChIKey:"SSCVMVQLICADPI-UHFFFAOYSA-N","Exact Mass":204.17702333,"Molecular Formula":"C8H24N4Si","Molecular Weight":204.39,"Monoisotopic Mass":204.17702333,Charge:0,"Easy Name":"Tetrakis (dimethylamino)silane","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C8H24N4Si1"},74202:{PUBCHEM:{CID:"74202","Compound Complexity":38,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1-dimethylcyclopropane","IUPAC Name CAS-like Style":"1,1-dimethylcyclopropane","IUPAC Name Markup":"1,1-dimethylcyclopropane","IUPAC Name Preferred":"1,1-dimethylcyclopropane","IUPAC Name Systematic":"1,1-dimethylcyclopropane","IUPAC Name Traditional":"1,1-dimethylcyclopropane",InChI:"1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3",InChIKey:"PBIJFSCPEFQXBB-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"1, 1-dimethylcyclopropane","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C5H10"},74236:{PUBCHEM:{CID:"74236","Compound Complexity":116,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":12,"IUPAC Name Allowed":"Tetrabutylammonium;bromide","IUPAC Name CAS-like Style":"Tetrabutylammonium;bromide","IUPAC Name Markup":"Tetrabutylazanium;bromide","IUPAC Name Preferred":"Tetrabutylazanium;bromide","IUPAC Name Systematic":"Tetrabutylazanium;bromide","IUPAC Name Traditional":"Tetrabutylammonium;bromide",InChI:"1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",InChIKey:"JRMUNVKIHCOMHV-UHFFFAOYSA-M","Exact Mass":321.20311,"Molecular Formula":"C16H36BrN","Molecular Weight":322.37,"Monoisotopic Mass":321.20311,Charge:0,"Easy Name":"Tetrabutylammonium bromide","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Br1C16H36N1"},74345:{PUBCHEM:{CID:"74345","Compound Complexity":31.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;thiocyanate","IUPAC Name CAS-like Style":"Silver;thiocyanate","IUPAC Name Markup":"Silver;thiocyanate","IUPAC Name Preferred":"Silver;thiocyanate","IUPAC Name Systematic":"Silver;thiocyanate","IUPAC Name Traditional":"Silver;thiocyanate",InChI:"1S/CHNS.Ag/c2-1-3;/h3H;/q;+1/p-1",InChIKey:"RHUVFRWZKMEWNS-UHFFFAOYSA-M","Exact Mass":164.88024,"Molecular Formula":"CAgNS","Molecular Weight":165.95,"Monoisotopic Mass":164.88024,Charge:0,"Easy Name":"Silver thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag1C1N1S1"},74406:{PUBCHEM:{CID:"74406","Compound Complexity":147,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Pent-2-enedioic acid","IUPAC Name CAS-like Style":"2-pentenedioic acid","IUPAC Name Markup":"Pent-2-enedioic acid","IUPAC Name Preferred":"Pent-2-enedioic acid","IUPAC Name Systematic":"Pent-2-enedioic acid","IUPAC Name Traditional":"Pent-2-enedioic acid",InChI:"1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)",InChIKey:"XVOUMQNXTGKGMA-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":130.026608672,"Molecular Formula":"C5H6O4","Molecular Weight":130.1,"Monoisotopic Mass":130.026608672,Charge:0,"Easy Name":"Glutaconic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C5H6O4"},74466:{PUBCHEM:{CID:"74466","Compound Complexity":484,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"Bis(2,4-dimethoxyphenyl)-(2-methoxyphenyl)methanol","IUPAC Name CAS-like Style":"Bis(2,4-dimethoxyphenyl)-(2-methoxyphenyl)methanol","IUPAC Name Markup":"Bis(2,4-dimethoxyphenyl)-(2-methoxyphenyl)methanol","IUPAC Name Preferred":"Bis(2,4-dimethoxyphenyl)-(2-methoxyphenyl)methanol","IUPAC Name Systematic":"Bis(2,4-dimethoxyphenyl)-(2-methoxyphenyl)methanol","IUPAC Name Traditional":"Bis(2,4-dimethoxyphenyl)-(2-methoxyphenyl)methanol",InChI:"1S/C24H26O6/c1-26-16-10-12-19(22(14-16)29-4)24(25,18-8-6-7-9-21(18)28-3)20-13-11-17(27-2)15-23(20)30-5/h6-15,25H,1-5H3",InChIKey:"GEPSNGQKRLULHW-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":410.17293856,"Molecular Formula":"C24H26O6","Molecular Weight":410.5,"Monoisotopic Mass":410.17293856,Charge:0,"Easy Name":"Pentamethoxy Red","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C24H26O6"},74498:{PUBCHEM:{CID:"74498","Compound Complexity":53,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Traditional":"[keto(dimethyl)sulfuraniumyl]methane;iodide",InChI:"1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1",InChIKey:"BPLKQGGAXWRFOE-UHFFFAOYSA-M","Exact Mass":219.94188,"Molecular Formula":"C3H9IOS","Molecular Weight":220.07,"Monoisotopic Mass":219.94188,Charge:0,"Easy Name":"Trimethylsulfoxonium iodide","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C3H9I1O1S1"},74626:{PUBCHEM:{CID:"74626","Compound Complexity":84.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Phenyl formate","IUPAC Name CAS-like Style":"Formic acid phenyl ester","IUPAC Name Markup":"Phenyl formate","IUPAC Name Preferred":"Phenyl formate","IUPAC Name Systematic":"Phenyl methanoate","IUPAC Name Traditional":"Formic acid phenyl ester",InChI:"1S/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H",InChIKey:"GEOWCLRLLWTHDN-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":122.036779433,"Molecular Formula":"C7H6O2","Molecular Weight":122.12,"Monoisotopic Mass":122.036779433,Charge:0,"Easy Name":"Phenyl formate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C7H6O2"},74662:{PUBCHEM:{CID:"74662","Compound Complexity":148,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"2,2-diphenylethanol","IUPAC Name CAS-like Style":"2,2-diphenylethanol","IUPAC Name Markup":"2,2-diphenylethanol","IUPAC Name Preferred":"2,2-diphenylethanol","IUPAC Name Systematic":"2,2-diphenylethanol","IUPAC Name Traditional":"2,2-diphenylethanol",InChI:"1S/C14H14O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2",InChIKey:"NYLOEXLAXYHOHH-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":198.10446507,"Molecular Formula":"C14H14O","Molecular Weight":198.26,"Monoisotopic Mass":198.10446507,Charge:0,"Easy Name":"2, 2-Diphenylethanol","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C14H14O1"},74707:{PUBCHEM:{CID:"74707","Compound Complexity":1680,"Hydrogen Bond Acceptor":18,"Hydrogen Bond Donor":8,"Rotatable Bond":8,"IUPAC Name Allowed":"3,6-bis[(4-chloro-2-phosphono-phenyl)hydrazono]-4,5-dioxo-naphthalene-2,7-disulfonic acid","IUPAC Name CAS-like Style":"3,6-bis[(4-chloro-2-phosphonophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid","IUPAC Name Markup":"3,6-bis[(4-chloro-2-phosphonophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid","IUPAC Name Preferred":"3,6-bis[(4-chloro-2-phosphonophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid","IUPAC Name Systematic":"3,6-bis[(4-chloranyl-2-phosphono-phenyl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonic acid","IUPAC Name Traditional":"3,6-bis[(4-chloro-2-phosphono-phenyl)hydrazono]-4,5-diketo-naphthalene-2,7-disulfonic acid",InChI:"1S/C22H16Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,25-26H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)",InChIKey:"HOJRJCAEZDCDRS-UHFFFAOYSA-N","Log P":.3,"Exact Mass":755.8956729,"Molecular Formula":"C22H16Cl2N4O14P2S2","Molecular Weight":757.4,"Monoisotopic Mass":755.8956729,Charge:0,"Easy Name":"Dichlorophosphonoazo III","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C22Cl2H16N4O14P2S2"},74737:{PUBCHEM:{CID:"74737","Compound Complexity":158,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"4-(methylamino)phenol;sulfuric acid","IUPAC Name CAS-like Style":"4-(methylamino)phenol;sulfuric acid","IUPAC Name Markup":"4-(methylamino)phenol;sulfuric acid","IUPAC Name Preferred":"4-(methylamino)phenol;sulfuric acid","IUPAC Name Systematic":"4-(methylamino)phenol;sulfuric acid","IUPAC Name Traditional":"4-(methylamino)phenol;sulfuric acid",InChI:"1S/C7H9NO.H2O4S/c1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2-5,8-9H,1H3;(H2,1,2,3,4)",InChIKey:"OHYPPUOVSUINHM-UHFFFAOYSA-N","Exact Mass":221.03579363,"Molecular Formula":"C7H11NO5S","Molecular Weight":221.23,"Monoisotopic Mass":221.03579363,Charge:0,"Easy Name":"4-Methylaminophenol sulfate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"C7H11N1O5S1"},74959:{PUBCHEM:{CID:"74959","Compound Complexity":146,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"Pentanoyl pentanoate","IUPAC Name CAS-like Style":"Pentanoic acid 1-oxopentyl ester","IUPAC Name Markup":"Pentanoyl pentanoate","IUPAC Name Preferred":"Pentanoyl pentanoate","IUPAC Name Systematic":"Pentanoyl pentanoate","IUPAC Name Traditional":"Valeric acid valeryl ester",InChI:"1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3",InChIKey:"DUCKXCGALKOSJF-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":186.12559444,"Molecular Formula":"C10H18O3","Molecular Weight":186.25,"Monoisotopic Mass":186.12559444,Charge:0,"Easy Name":"N-Valeric anhydride","Easy Category":"Acid anhydride"},HSDB:{},ReducedFormula:"C10H18O3"},74965:{PUBCHEM:{CID:"74965","Compound Complexity":53.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"N-methyl-N-trimethylsilyl-methanamine","IUPAC Name CAS-like Style":"N-methyl-N-trimethylsilylmethanamine","IUPAC Name Markup":"N-methyl-N-trimethylsilylmethanamine","IUPAC Name Preferred":"N-methyl-N-trimethylsilylmethanamine","IUPAC Name Systematic":"N-methyl-N-trimethylsilyl-methanamine","IUPAC Name Traditional":"Dimethyl(trimethylsilyl)amine",InChI:"1S/C5H15NSi/c1-6(2)7(3,4)5/h1-5H3",InChIKey:"KAHVZNKZQFSBFW-UHFFFAOYSA-N","Exact Mass":117.09737602,"Molecular Formula":"C5H15NSi","Molecular Weight":117.26,"Monoisotopic Mass":117.09737602,Charge:0,"Easy Name":"Silanamine, pentamethyl-","Easy Category":"Silanes"},HSDB:{},ReducedFormula:"C5H15N1Si1"},75020:{PUBCHEM:{CID:"75020","Compound Complexity":115,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Cyclohexyl nitrate","IUPAC Name CAS-like Style":"Nitric acid cyclohexyl ester","IUPAC Name Markup":"Cyclohexyl nitrate","IUPAC Name Preferred":"Cyclohexyl nitrate","IUPAC Name Systematic":"Cyclohexyl nitrate","IUPAC Name Traditional":"Nitric acid cyclohexyl ester",InChI:"1S/C6H11NO3/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2",InChIKey:"HLYOOCIMLHNMOG-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":145.07389322,"Molecular Formula":"C6H11NO3","Molecular Weight":145.16,"Monoisotopic Mass":145.07389322,Charge:0,"Easy Name":"Cyclohexyl nitrate","Easy Category":"Nitro compound"},HSDB:{},ReducedFormula:"C6H11N1O3"},75249:{PUBCHEM:{CID:"75249","Compound Complexity":105,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Undec-1-yne","IUPAC Name CAS-like Style":"1-undecyne","IUPAC Name Markup":"Undec-1-yne","IUPAC Name Preferred":"Undec-1-yne","IUPAC Name Systematic":"Undec-1-yne","IUPAC Name Traditional":"Undec-1-yne",InChI:"1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3",InChIKey:"YVSFLVNWJIEJRV-UHFFFAOYSA-N","Log P":5.1,"Exact Mass":152.15650064,"Molecular Formula":"C11H20","Molecular Weight":152.28,"Monoisotopic Mass":152.15650064,Charge:0,"Easy Name":"1-Undecyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C11H20"},75269:{PUBCHEM:{CID:"75269","Compound Complexity":66.4,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Formyl acetate","IUPAC Name CAS-like Style":"Acetic acid formyl ester","IUPAC Name Markup":"Formyl acetate","IUPAC Name Preferred":"Formyl acetate","IUPAC Name Systematic":"Methanoyl ethanoate","IUPAC Name Traditional":"Acetic acid formyl ester",InChI:"1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3",InChIKey:"ORWKVZNEPHTCQE-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":88.016043988,"Molecular Formula":"C3H4O3","Molecular Weight":88.06,"Monoisotopic Mass":88.016043988,Charge:0,"Easy Name":"Acetic formic anhydride","Easy Category":"Acid anhydride"},HSDB:{},ReducedFormula:"C3H4O3"},75408:{PUBCHEM:{CID:"75408","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Methanediamine","IUPAC Name CAS-like Style":"Methanediamine","IUPAC Name Markup":"Methanediamine","IUPAC Name Preferred":"Methanediamine","IUPAC Name Systematic":"Methanediamine","IUPAC Name Traditional":"Aminomethylamine",InChI:"1S/CH6N2/c2-1-3/h1-3H2",InChIKey:"RTWNYYOXLSILQN-UHFFFAOYSA-N","Log P":-1.6,"Exact Mass":46.053098202,"Molecular Formula":"CH6N2","Molecular Weight":46.072,"Monoisotopic Mass":46.053098202,Charge:0,"Easy Name":"Diaminomethane","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C1H6N2"},75444:{PUBCHEM:{CID:"75444","Compound Complexity":722,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"[4-[bis[4-(diethylamino)phenyl]methylene]-1-naphthylidene]-ethyl-ammonium;chloride","IUPAC Name CAS-like Style":"[4-[bis[4-(diethylamino)phenyl]methylidene]-1-naphthalenylidene]-ethylammonium;chloride","IUPAC Name Markup":"[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride","IUPAC Name Preferred":"[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride","IUPAC Name Systematic":"[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethyl-azanium;chloride","IUPAC Name Traditional":"[4-[bis[4-(diethylamino)phenyl]methylene]-1-naphthylidene]-ethyl-ammonium;chloride",InChI:"1S/C33H39N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H",InChIKey:"ROVRRJSRRSGUOL-UHFFFAOYSA-N","Exact Mass":513.291076,"Molecular Formula":"C33H40ClN3","Molecular Weight":514.1,"Monoisotopic Mass":513.291076,Charge:0,"Easy Name":"Victoria blue BO","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C33Cl1H40N3"},75478:{PUBCHEM:{CID:"75478","Compound Complexity":12.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;cyanide","IUPAC Name CAS-like Style":"Lithium;cyanide","IUPAC Name Markup":"Lithium;cyanide","IUPAC Name Preferred":"Lithium;cyanide","IUPAC Name Systematic":"Lithium;cyanide","IUPAC Name Traditional":"Lithium;cyanide",InChI:"1S/CN.Li/c1-2;/q-1;+1",InChIKey:"JORQDGTZGKHEEO-UHFFFAOYSA-N","Exact Mass":33.01907744,"Molecular Formula":"CLiN","Molecular Weight":33,"Monoisotopic Mass":33.01907744,Charge:0,"Easy Name":"Lithium cyanide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1Li1N1"},75485:{PUBCHEM:{CID:"75485","Compound Complexity":1050,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":6,"Rotatable Bond":14,"IUPAC Name Allowed":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name CAS-like Style":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Markup":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Preferred":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Systematic":"2-[[5-[1-[3-[[bis(2-hydroxy-2-oxoethyl)amino]methyl]-5-methyl-4-oxidanyl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-3-methyl-2-oxidanyl-phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid","IUPAC Name Traditional":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-3-keto-phthalan-1-yl]-2-hydroxy-3-methyl-benzyl]-(carboxymethyl)amino]acetic acid",InChI:"1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)",InChIKey:"IYZPEGVSBUNMBE-UHFFFAOYSA-N","Log P":-2,"Exact Mass":636.19552448,"Molecular Formula":"C32H32N2O12","Molecular Weight":636.6,"Monoisotopic Mass":636.19552448,Charge:0,"Easy Name":"O-Cresolphthalein Complexone","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C32H32N2O12"},75534:{PUBCHEM:{CID:"75534","Compound Complexity":177,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3,5-trimethylbenzoic acid","IUPAC Name CAS-like Style":"2,3,5-trimethylbenzoic acid","IUPAC Name Markup":"2,3,5-trimethylbenzoic acid","IUPAC Name Preferred":"2,3,5-trimethylbenzoic acid","IUPAC Name Systematic":"2,3,5-trimethylbenzoic acid","IUPAC Name Traditional":"2,3,5-trimethylbenzoic acid",InChI:"1S/C10H12O2/c1-6-4-7(2)8(3)9(5-6)10(11)12/h4-5H,1-3H3,(H,11,12)",InChIKey:"WJPISYUIIFJNPA-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":164.08372963,"Molecular Formula":"C10H12O2","Molecular Weight":164.2,"Monoisotopic Mass":164.08372963,Charge:0,"Easy Name":"2, 3, 5-Trimethylbenzoic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H12O2"},75720:{PUBCHEM:{CID:"75720","Compound Complexity":12.3,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Formyl chloride","IUPAC Name CAS-like Style":"Formyl chloride","IUPAC Name Markup":"Formyl chloride","IUPAC Name Preferred":"Formyl chloride","IUPAC Name Systematic":"Formyl chloride","IUPAC Name Traditional":"Formyl chloride",InChI:"1S/CHClO/c2-1-3/h1H",InChIKey:"GFAUNYMRSKVDJL-UHFFFAOYSA-N","Log P":.8,"Exact Mass":63.9715923,"Molecular Formula":"CHClO","Molecular Weight":64.47,"Monoisotopic Mass":63.9715923,Charge:0,"Easy Name":"Formyl chloride","Easy Category":"Acyl chloride"},HSDB:{},ReducedFormula:"C1Cl1H1O1"},75809:{PUBCHEM:{CID:"75809","Compound Complexity":62.7,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"4-bromobutanoic acid","IUPAC Name CAS-like Style":"4-bromobutanoic acid","IUPAC Name Markup":"4-bromobutanoic acid","IUPAC Name Preferred":"4-bromobutanoic acid","IUPAC Name Systematic":"4-bromanylbutanoic acid","IUPAC Name Traditional":"4-bromobutyric acid",InChI:"1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)",InChIKey:"GRHQDJDRGZFIPO-UHFFFAOYSA-N","Log P":.8,"Exact Mass":165.96294,"Molecular Formula":"C4H7BrO2","Molecular Weight":167,"Monoisotopic Mass":165.96294,Charge:0,"Easy Name":"4-Bromobutanoic acid","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C4H7O2"},76047:{PUBCHEM:{CID:"76047","Compound Complexity":625,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2-bromo-4-[3-(3-bromo-4-hydroxy-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name CAS-like Style":"2-bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Markup":"2-bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol","IUPAC Name Preferred":"2-bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Systematic":"2-bromanyl-4-[3-(3-bromanyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]phenol","IUPAC Name Traditional":"2-bromo-4-[3-(3-bromo-4-hydroxy-phenyl)-1,1-diketo-2,1lambda6-benzoxathiol-3-yl]phenol",InChI:"1S/C19H12Br2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H",InChIKey:"OYCLSQDXZMROJK-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":511.87517,"Molecular Formula":"C19H12Br2O5S","Molecular Weight":512.2,"Monoisotopic Mass":509.87722,Charge:0,"Easy Name":"Bromophenol Red","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C19H12O5S1"},76123:{PUBCHEM:{CID:"76123","Compound Complexity":694,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"8-[4-(dimethylamino)phenyl]azo-N,N-diethyl-10-phenyl-phenazin-10-ium-2-amine;chloride","IUPAC Name CAS-like Style":"8-[4-(dimethylamino)phenyl]azo-N,N-diethyl-10-phenyl-2-phenazin-10-iumamine;chloride","IUPAC Name Markup":"8-[[4-(dimethylamino)phenyl]diazenyl]-N,N-diethyl-10-phenylphenazin-10-ium-2-amine;chloride","IUPAC Name Preferred":"8-[[4-(dimethylamino)phenyl]diazenyl]-N,N-diethyl-10-phenylphenazin-10-ium-2-amine;chloride","IUPAC Name Systematic":"8-[[4-(dimethylamino)phenyl]diazenyl]-N,N-diethyl-10-phenyl-phenazin-10-ium-2-amine;chloride","IUPAC Name Traditional":"[4-[8-(diethylamino)-10-phenyl-phenazin-10-ium-2-yl]azophenyl]-dimethyl-amine;chloride",InChI:"1S/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1",InChIKey:"XXACTDWGHQXLGW-UHFFFAOYSA-M","Exact Mass":510.2298727,"Molecular Formula":"C30H31ClN6","Molecular Weight":511.1,"Monoisotopic Mass":510.2298727,Charge:0,"Easy Name":"Janus Green B","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C30Cl1H31N6"},76335:{PUBCHEM:{CID:"76335","Compound Complexity":59.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3,3-dimethylbutanal","IUPAC Name CAS-like Style":"3,3-dimethylbutanal","IUPAC Name Markup":"3,3-dimethylbutanal","IUPAC Name Preferred":"3,3-dimethylbutanal","IUPAC Name Systematic":"3,3-dimethylbutanal","IUPAC Name Traditional":"3,3-dimethylbutyraldehyde",InChI:"1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3",InChIKey:"LTNUSYNQZJZUSY-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":100.08881501,"Molecular Formula":"C6H12O","Molecular Weight":100.16,"Monoisotopic Mass":100.08881501,Charge:0,"Easy Name":"3, 3-dimethylbutanal","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C6H12O1"},76617:{PUBCHEM:{CID:"76617","Compound Complexity":244,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":14,"IUPAC Name Allowed":"5-pentadecylbenzene-1,3-diol","IUPAC Name CAS-like Style":"5-pentadecylbenzene-1,3-diol","IUPAC Name Markup":"5-pentadecylbenzene-1,3-diol","IUPAC Name Preferred":"5-pentadecylbenzene-1,3-diol","IUPAC Name Systematic":"5-pentadecylbenzene-1,3-diol","IUPAC Name Traditional":"5-pentadecylresorcinol",InChI:"1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3",InChIKey:"KVVSCMOUFCNCGX-UHFFFAOYSA-N","Log P":9,"Exact Mass":320.2715304,"Molecular Formula":"C21H36O2","Molecular Weight":320.5,"Monoisotopic Mass":320.2715304,Charge:0,"Easy Name":"Adipostatin A","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C21H36O2"},76632:{PUBCHEM:{CID:"76632","Compound Complexity":141,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(2,5-dimethoxyphenyl)ethanamine","IUPAC Name CAS-like Style":"2-(2,5-dimethoxyphenyl)ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxyphenyl)ethanamine","IUPAC Name Traditional":"2-(2,5-dimethoxyphenyl)ethylamine",InChI:"1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3",InChIKey:"WNCUVUUEJZEATP-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":181.11027873,"Molecular Formula":"C10H15NO2","Molecular Weight":181.23,"Monoisotopic Mass":181.11027873,Charge:0,"Easy Name":"2C-H","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C10H15N1O2"},76720:{PUBCHEM:{CID:"76720","Compound Complexity":167,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Furan-2,5-dicarboxylic acid","IUPAC Name CAS-like Style":"Furan-2,5-dicarboxylic acid","IUPAC Name Markup":"Furan-2,5-dicarboxylic acid","IUPAC Name Preferred":"Furan-2,5-dicarboxylic acid","IUPAC Name Systematic":"Furan-2,5-dicarboxylic acid","IUPAC Name Traditional":"Furan-2,5-dicarboxylic acid",InChI:"1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)",InChIKey:"CHTHALBTIRVDBM-UHFFFAOYSA-N","Log P":.7,"Exact Mass":156.005873227,"Molecular Formula":"C6H4O5","Molecular Weight":156.09,"Monoisotopic Mass":156.005873227,Charge:0,"Easy Name":"2, 5-Furandicarboxylic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C6H4O5"},76920:{PUBCHEM:{CID:"76920","Compound Complexity":76.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Trimethyl(trimethylsilylsulfanyl)silane","IUPAC Name CAS-like Style":"Trimethyl-(trimethylsilylthio)silane","IUPAC Name Markup":"Trimethyl(trimethylsilylsulfanyl)silane","IUPAC Name Preferred":"Trimethyl(trimethylsilylsulfanyl)silane","IUPAC Name Systematic":"Trimethyl(trimethylsilylsulfanyl)silane","IUPAC Name Traditional":"Trimethyl-(trimethylsilylthio)silane",InChI:"1S/C6H18SSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",InChIKey:"RLECCBFNWDXKPK-UHFFFAOYSA-N","Exact Mass":178.06677482,"Molecular Formula":"C6H18SSi2","Molecular Weight":178.44,"Monoisotopic Mass":178.06677482,Charge:0,"Easy Name":"Bis (trimethylsilyl)sulfide","Easy Category":"Silanes"},HSDB:{},ReducedFormula:"C6H18S1Si2"},76939:{PUBCHEM:{CID:"76939","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Traditional":"Dichloroamine",InChI:"1S/Cl2HN/c1-3-2/h3H",InChIKey:"JSYGRUBHOCKMGQ-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":84.9486044,"Molecular Formula":"Cl2HN","Molecular Weight":85.92,"Monoisotopic Mass":84.9486044,Charge:0,"Easy Name":"Dichloramine","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Cl2H1N1"},77058:{PUBCHEM:{CID:"77058","Compound Complexity":44,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"5-methylhex-1-ene","IUPAC Name CAS-like Style":"5-methyl-1-hexene","IUPAC Name Markup":"5-methylhex-1-ene","IUPAC Name Preferred":"5-methylhex-1-ene","IUPAC Name Systematic":"5-methylhex-1-ene","IUPAC Name Traditional":"5-methylhex-1-ene",InChI:"1S/C7H14/c1-4-5-6-7(2)3/h4,7H,1,5-6H2,2-3H3",InChIKey:"JIUFYGIESXPUPL-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"5-Methyl-1-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},77384:{PUBCHEM:{CID:"77384","Compound Complexity":79.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"N-[dimethylamino(dimethyl)silyl]-N-methyl-methanamine","IUPAC Name CAS-like Style":"N-[dimethylamino(dimethyl)silyl]-N-methylmethanamine","IUPAC Name Markup":"N-[dimethylamino(dimethyl)silyl]-N-methylmethanamine","IUPAC Name Preferred":"N-[dimethylamino(dimethyl)silyl]-N-methylmethanamine","IUPAC Name Systematic":"N-[dimethylamino(dimethyl)silyl]-N-methyl-methanamine","IUPAC Name Traditional":"[dimethylamino(dimethyl)silyl]-dimethyl-amine",InChI:"1S/C6H18N2Si/c1-7(2)9(5,6)8(3)4/h1-6H3",InChIKey:"QULMGWCCKILBTO-UHFFFAOYSA-N","Exact Mass":146.12392512,"Molecular Formula":"C6H18N2Si","Molecular Weight":146.31,"Monoisotopic Mass":146.12392512,Charge:0,"Easy Name":"Bis (dimethylamino)dimethylsilane","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C6H18N2Si1"},77434:{PUBCHEM:{CID:"77434","Compound Complexity":78.7,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"3-hydroxy-2,2-bis(hydroxymethyl)propanal","IUPAC Name CAS-like Style":"3-hydroxy-2,2-bis(hydroxymethyl)propanal","IUPAC Name Markup":"3-hydroxy-2,2-bis(hydroxymethyl)propanal","IUPAC Name Preferred":"3-hydroxy-2,2-bis(hydroxymethyl)propanal","IUPAC Name Systematic":"2,2-bis(hydroxymethyl)-3-oxidanyl-propanal","IUPAC Name Traditional":"3-hydroxy-2,2-dimethylol-propionaldehyde",InChI:"1S/C5H10O4/c6-1-5(2-7,3-8)4-9/h1,7-9H,2-4H2",InChIKey:"JCQKQWAONVEFJC-UHFFFAOYSA-N","Log P":-2.5,"Exact Mass":134.0579088,"Molecular Formula":"C5H10O4","Molecular Weight":134.13,"Monoisotopic Mass":134.0579088,Charge:0,"Easy Name":"3-Hydroxy-2, 2-bis (hydroxymethyl)propanal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C5H10O4"},77982:{PUBCHEM:{CID:"77982","Compound Complexity":224,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":5,"Rotatable Bond":6,"IUPAC Name Allowed":"[(2R,3R,4R)-2,3,4-trihydroxy-5-oxo-pentyl] dihydrogen phosphate","IUPAC Name CAS-like Style":"[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate","IUPAC Name Markup":"[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate","IUPAC Name Preferred":"[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate","IUPAC Name Systematic":"[(2R,3R,4R)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate","IUPAC Name Traditional":"[(2R,3R,4R)-2,3,4-trihydroxy-5-keto-pentyl] dihydrogen phosphate",InChI:"1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1",InChIKey:"PPQRONHOSHZGFQ-LMVFSUKVSA-N","Log P":-3.4,"Exact Mass":230.01915431,"Molecular Formula":"C5H11O8P","Molecular Weight":230.11,"Monoisotopic Mass":230.01915431,Charge:0,"Easy Name":"Ribose 5-phosphate","Easy Category":"Organophosphorus"},HSDB:{},ReducedFormula:"C5H11O8P1"},78213:{PUBCHEM:{CID:"78213","Compound Complexity":369,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"2,4-diphenylcyclobutane-1,3-dicarboxylic acid","IUPAC Name CAS-like Style":"2,4-diphenylcyclobutane-1,3-dicarboxylic acid","IUPAC Name Markup":"2,4-diphenylcyclobutane-1,3-dicarboxylic acid","IUPAC Name Preferred":"2,4-diphenylcyclobutane-1,3-dicarboxylic acid","IUPAC Name Systematic":"2,4-diphenylcyclobutane-1,3-dicarboxylic acid","IUPAC Name Traditional":"2,4-diphenylcyclobutane-1,3-dicarboxylic acid",InChI:"1S/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)16(18(21)22)14(15)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)",InChIKey:"QWFRRFLKWRIKSZ-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":296.10485899,"Molecular Formula":"C18H16O4","Molecular Weight":296.3,"Monoisotopic Mass":296.10485899,Charge:0,"Easy Name":"Truxillic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C18H16O4"},78493:{PUBCHEM:{CID:"78493","Compound Complexity":37.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thiepane","IUPAC Name CAS-like 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Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"3,3,4,4-tetramethylhexane","IUPAC Name CAS-like Style":"3,3,4,4-tetramethylhexane","IUPAC Name Markup":"3,3,4,4-tetramethylhexane","IUPAC Name Preferred":"3,3,4,4-tetramethylhexane","IUPAC Name Systematic":"3,3,4,4-tetramethylhexane","IUPAC Name Traditional":"3,3,4,4-tetramethylhexane",InChI:"1S/C10H22/c1-7-9(3,4)10(5,6)8-2/h7-8H2,1-6H3",InChIKey:"MCEYLFHKATVXLN-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":142.17215071,"Molecular Formula":"C10H22","Molecular Weight":142.28,"Monoisotopic Mass":142.17215071,Charge:0,"Easy Name":"3, 3, 4, 4-Tetramethylhexane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C10H22"},78863:{PUBCHEM:{CID:"78863","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;methanethiolate","IUPAC Name CAS-like Style":"Sodium;methanethiolate","IUPAC Name Markup":"Sodium;methanethiolate","IUPAC Name Preferred":"Sodium;methanethiolate","IUPAC Name Systematic":"Sodium;methanethiolate","IUPAC Name Traditional":"Sodium;methanethiolate",InChI:"1S/CH4S.Na/c1-2;/h2H,1H3;/q;+1/p-1",InChIKey:"RMBAVIFYHOYIFM-UHFFFAOYSA-M","Exact Mass":69.98531555,"Molecular Formula":"CH3NaS","Molecular Weight":70.09,"Monoisotopic Mass":69.98531555,Charge:0,"Easy Name":"Sodium methanethiolate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C1H3Na1S1"},78919:{PUBCHEM:{CID:"78919","Compound Complexity":262,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name CAS-like Style":"Lithium;2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name Markup":"Lithium;2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name Preferred":"Lithium;2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name Systematic":"Lithium;2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate","IUPAC Name Traditional":"Lithium;orotate",InChI:"1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1",InChIKey:"IZJGDPULXXNWJP-UHFFFAOYSA-M","Exact Mass":162.02528502,"Molecular Formula":"C5H3LiN2O4","Molecular Weight":162.1,"Monoisotopic Mass":162.02528502,Charge:0,"Easy Name":"Lithium orotate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C5H3Li1N2O4"},78938:{PUBCHEM:{CID:"78938","Compound Complexity":118,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Propane-1-sulfonic acid","IUPAC Name CAS-like Style":"1-propanesulfonic acid","IUPAC Name Markup":"Propane-1-sulfonic acid","IUPAC Name Preferred":"Propane-1-sulfonic acid","IUPAC Name Systematic":"Propane-1-sulfonic acid","IUPAC Name Traditional":"Propane-1-sulfonic acid",InChI:"1S/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)",InChIKey:"KCXFHTAICRTXLI-UHFFFAOYSA-N","Log P":0,"Exact Mass":124.01941529,"Molecular Formula":"C3H8O3S","Molecular Weight":124.16,"Monoisotopic Mass":124.01941529,Charge:0,"Easy Name":"Propylsulfonic acid","Easy Category":"Sulfonic acid"},HSDB:{},ReducedFormula:"C3H8O3S1"},78956:{PUBCHEM:{CID:"78956","Compound Complexity":134,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"(3S)-2,3-dihydroxybutanedioic acid","IUPAC Name CAS-like Style":"(3S)-2,3-dihydroxybutanedioic acid","IUPAC Name Markup":"(3S)-2,3-dihydroxybutanedioic acid","IUPAC Name Preferred":"(3S)-2,3-dihydroxybutanedioic acid","IUPAC Name Systematic":"(3S)-2,3-bis(oxidanyl)butanedioic acid","IUPAC Name Traditional":"(3S)-2,3-dihydroxysuccinic acid",InChI:"1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2?/m0/s1",InChIKey:"FEWJPZIEWOKRBE-PIKHSQJKSA-N","Log P":-1.9,"Exact Mass":150.01643791,"Molecular Formula":"C4H6O6","Molecular Weight":150.09,"Monoisotopic Mass":150.01643791,Charge:0,"Easy Name":"Mesotartaric acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C4H6O6"},78968:{PUBCHEM:{CID:"78968","Compound Complexity":63.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4-dioxine","IUPAC Name CAS-like Style":"1,4-dioxin","IUPAC Name Markup":"1,4-dioxine","IUPAC Name Preferred":"1,4-dioxine","IUPAC Name Systematic":"1,4-dioxine","IUPAC Name Traditional":"P-dioxin",InChI:"1S/C4H4O2/c1-2-6-4-3-5-1/h1-4H",InChIKey:"KVGZZAHHUNAVKZ-UHFFFAOYSA-N","Log P":.2,"Exact Mass":84.021129368,"Molecular Formula":"C4H4O2","Molecular Weight":84.07,"Monoisotopic Mass":84.021129368,Charge:0,"Easy Name":"1, 4-dioxin","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H4O2"},79015:{PUBCHEM:{CID:"79015","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Methanediol","IUPAC Name CAS-like Style":"Methanediol","IUPAC Name Markup":"Methanediol","IUPAC Name Preferred":"Methanediol","IUPAC Name Systematic":"Methanediol","IUPAC Name Traditional":"Methanediol",InChI:"1S/CH4O2/c2-1-3/h2-3H,1H2",InChIKey:"CKFGINPQOCXMAZ-UHFFFAOYSA-N","Log P":-1,"Exact Mass":48.021129368,"Molecular Formula":"CH4O2","Molecular Weight":48.041,"Monoisotopic Mass":48.021129368,Charge:0,"Easy Name":"Methanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C1H4O2"},79025:{PUBCHEM:{CID:"79025","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3R,4S,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1",InChIKey:"WQZGKKKJIJFFOK-DVKNGEFBSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-glucose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},79033:{PUBCHEM:{CID:"79033","Compound Complexity":24.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyrazolidine","IUPAC Name CAS-like Style":"Pyrazolidine","IUPAC Name Markup":"Pyrazolidine","IUPAC Name Preferred":"Pyrazolidine","IUPAC Name Systematic":"Pyrazolidine","IUPAC Name Traditional":"Pyrazolidine",InChI:"1S/C3H8N2/c1-2-4-5-3-1/h4-5H,1-3H2",InChIKey:"USPWKWBDZOARPV-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":72.068748267,"Molecular Formula":"C3H8N2","Molecular Weight":72.11,"Monoisotopic Mass":72.068748267,Charge:0,"Easy Name":"Pyrazolidine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H8N2"},79057:{PUBCHEM:{CID:"79057","Compound Complexity":29,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbonyl dibromide","IUPAC Name CAS-like Style":"Carbonyl dibromide","IUPAC Name Markup":"Carbonyl dibromide","IUPAC Name Preferred":"Carbonyl dibromide","IUPAC Name Systematic":"Carbonyl dibromide","IUPAC Name Traditional":"Carbonyl dibromide",InChI:"1S/CBr2O/c2-1(3)4",InChIKey:"MOIPGXQKZSZOQX-UHFFFAOYSA-N","Log P":2,"Exact Mass":187.82954,"Molecular Formula":"CBr2O","Molecular Weight":187.82,"Monoisotopic Mass":185.83159,Charge:0,"Easy Name":"Carbonyl bromide","Easy Category":"Oxohalides"},HSDB:{},ReducedFormula:"Br2C1O1"},79082:{PUBCHEM:{CID:"79082","Compound Complexity":37.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,4-dibromopentane","IUPAC Name CAS-like Style":"1,4-dibromopentane","IUPAC Name Markup":"1,4-dibromopentane","IUPAC Name Preferred":"1,4-dibromopentane","IUPAC Name Systematic":"1,4-bis(bromanyl)pentane","IUPAC Name Traditional":"1,4-dibromopentane",InChI:"1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3",InChIKey:"CNBFRBXEGGRSPL-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":229.91288,"Molecular Formula":"C5H10Br2","Molecular Weight":229.94,"Monoisotopic Mass":227.91493,Charge:0,"Easy Name":"1, 4-Dibromopentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"Br2C5H10"},79083:{PUBCHEM:{CID:"79083","Compound Complexity":37.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Pentane-1,4-diol","IUPAC Name CAS-like Style":"Pentane-1,4-diol","IUPAC Name Markup":"Pentane-1,4-diol","IUPAC Name Preferred":"Pentane-1,4-diol","IUPAC Name Systematic":"Pentane-1,4-diol","IUPAC Name Traditional":"Pentane-1,4-diol",InChI:"1S/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3",InChIKey:"GLOBUAZSRIOKLN-UHFFFAOYSA-N","Log P":0,"Exact Mass":104.08372963,"Molecular Formula":"C5H12O2","Molecular Weight":104.15,"Monoisotopic Mass":104.08372963,Charge:0,"Easy Name":"1, 4-Pentanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O2"},79107:{PUBCHEM:{CID:"79107","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;ethane","IUPAC Name CAS-like Style":"Lithium;ethane","IUPAC Name Markup":"Lithium;ethane","IUPAC Name Preferred":"Lithium;ethane","IUPAC Name Systematic":"Lithium;ethane","IUPAC Name Traditional":"Lithium;ethane",InChI:"1S/C2H5.Li/c1-2;/h1H2,2H3;/q-1;+1",InChIKey:"QBZXOWQOWPHHRA-UHFFFAOYSA-N","Exact Mass":36.0551286,"Molecular Formula":"C2H5Li","Molecular Weight":36,"Monoisotopic Mass":36.0551286,Charge:0,"Easy Name":"Ethyllithium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C2H5Li1"},79147:{PUBCHEM:{CID:"79147","Compound Complexity":13.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloro(dimethyl)alumane","IUPAC Name CAS-like Style":"Chloro(dimethyl)alumane","IUPAC Name Markup":"Chloro(dimethyl)alumane","IUPAC Name Preferred":"Chloro(dimethyl)alumane","IUPAC Name Systematic":"Chloranyl(dimethyl)alumane","IUPAC Name Traditional":"Chloro(dimethyl)alumane",InChI:"1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1",InChIKey:"JGHYBJVUQGTEEB-UHFFFAOYSA-M","Exact Mass":91.9973413,"Molecular Formula":"C2H6AlCl","Molecular Weight":92.5,"Monoisotopic Mass":91.9973413,Charge:0,"Easy Name":"Chloro (dimethyl)aluminium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"Al1C2Cl1H6"},79424:{PUBCHEM:{CID:"79424","Compound Complexity":244,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(2-nitrophenyl)arsonic acid","IUPAC Name CAS-like Style":"(2-nitrophenyl)arsonic acid","IUPAC Name Markup":"(2-nitrophenyl)arsonic acid","IUPAC Name Preferred":"(2-nitrophenyl)arsonic acid","IUPAC Name Systematic":"(2-nitrophenyl)arsonic acid","IUPAC Name Traditional":"(2-nitrophenyl)arsonic acid",InChI:"1S/C6H6AsNO5/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4H,(H2,9,10,11)",InChIKey:"UYEDGVZDGVIURN-UHFFFAOYSA-N","Exact Mass":246.946192,"Molecular Formula":"C6H6AsNO5","Molecular Weight":247.04,"Monoisotopic Mass":246.946192,Charge:0,"Easy Name":" (2-Nitrophenyl)arsonic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"As1C6H6N1O5"},79490:{PUBCHEM:{CID:"79490","Compound Complexity":228,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"3-aminophthalic acid","IUPAC Name CAS-like Style":"3-aminophthalic acid","IUPAC Name Markup":"3-aminophthalic acid","IUPAC Name Preferred":"3-aminophthalic acid","IUPAC Name Systematic":"3-azanylphthalic acid","IUPAC Name Traditional":"3-aminophthalic acid",InChI:"1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)",InChIKey:"WGLQHUKCXBXUDV-UHFFFAOYSA-N","Log P":.8,"Exact Mass":181.037507709,"Molecular Formula":"C8H7NO4","Molecular Weight":181.15,"Monoisotopic Mass":181.037507709,Charge:0,"Easy Name":"3-Aminophthalic acid","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C8H7N1O4"},80031:{PUBCHEM:{CID:"80031","Compound Complexity":239,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Potassium;2-hydroxy-2,2-diphenyl-acetate","IUPAC Name CAS-like Style":"Potassium;2-hydroxy-2,2-diphenylacetate","IUPAC Name Markup":"Potassium;2-hydroxy-2,2-diphenylacetate","IUPAC Name Preferred":"Potassium;2-hydroxy-2,2-diphenylacetate","IUPAC Name Systematic":"Potassium;2-oxidanyl-2,2-diphenyl-ethanoate","IUPAC Name Traditional":"Potassium;benzilate",InChI:"1S/C14H12O3.K/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,17H,(H,15,16);/q;+1/p-1",InChIKey:"VQNYSMISBDDUSN-UHFFFAOYSA-M","Exact Mass":266.0345257,"Molecular Formula":"C14H11KO3","Molecular Weight":266.33,"Monoisotopic Mass":266.0345257,Charge:0,"Easy Name":"Potassium benzilate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C14H11K1O3"},80283:{PUBCHEM:{CID:"80283","Compound Complexity":72.1,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S)-2-aminobutanoic acid","IUPAC Name CAS-like Style":"(2S)-2-aminobutanoic acid","IUPAC Name Markup":"(2S)-2-aminobutanoic acid","IUPAC Name Preferred":"(2S)-2-aminobutanoic acid","IUPAC Name Systematic":"(2S)-2-azanylbutanoic acid","IUPAC Name Traditional":"(2S)-2-aminobutyric acid",InChI:"1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",InChIKey:"QWCKQJZIFLGMSD-VKHMYHEASA-N","Log P":-2.5,"Exact Mass":103.063328534,"Molecular Formula":"C4H9NO2","Molecular Weight":103.12,"Monoisotopic Mass":103.063328534,Charge:0,"Easy Name":" (2S)-2-Aminobutanoic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C4H9N1O2"},80431:{PUBCHEM:{CID:"80431","Compound Complexity":74.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Ethylsulfanylmethylbenzene","IUPAC Name CAS-like Style":"(ethylthio)methylbenzene","IUPAC Name Markup":"Ethylsulfanylmethylbenzene","IUPAC Name Preferred":"Ethylsulfanylmethylbenzene","IUPAC Name Systematic":"Ethylsulfanylmethylbenzene","IUPAC Name Traditional":"(ethylthio)methylbenzene",InChI:"1S/C9H12S/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",InChIKey:"NTAIOEZEVLVLLW-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":152.06597156,"Molecular Formula":"C9H12S","Molecular Weight":152.26,"Monoisotopic Mass":152.06597156,Charge:0,"Easy Name":"Ethylsulfanylmethylbenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H12S1"},80931:{PUBCHEM:{CID:"80931","Compound Complexity":44.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"N-methylcarbamoyl chloride","IUPAC Name CAS-like Style":"N-methylcarbamoyl chloride","IUPAC Name Markup":"N-methylcarbamoyl chloride","IUPAC Name Preferred":"N-methylcarbamoyl chloride","IUPAC Name Systematic":"N-methylcarbamoyl chloride","IUPAC Name Traditional":"N-methylcarbamoyl chloride",InChI:"1S/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5)",InChIKey:"GRRYSIXDUIAUGY-UHFFFAOYSA-N","Log P":.6,"Exact Mass":92.9981414,"Molecular Formula":"C2H4ClNO","Molecular Weight":93.51,"Monoisotopic Mass":92.9981414,Charge:0,"Easy Name":"Methylcarbamic chloride","Easy Category":"Amide"},HSDB:{},ReducedFormula:"C2Cl1H4N1O1"},81264:{PUBCHEM:{CID:"81264","Compound Complexity":191,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Markup":"(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Preferred":"(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Systematic":"(2S,3S,4S,5S)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid","IUPAC Name Traditional":"(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-keto-hexanoic acid",InChI:"1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3-,4+,5+/m1/s1",InChIKey:"IAJILQKETJEXLJ-MBMOQRBOSA-N","Log P":-2.6,"Exact Mass":194.04265266,"Molecular Formula":"C6H10O7","Molecular Weight":194.14,"Monoisotopic Mass":194.04265266,Charge:0,"Easy Name":"Mannuronic acid","Easy Category":"Uronic acid"},HSDB:{},ReducedFormula:"C6H10O7"},81382:{PUBCHEM:{CID:"81382","Compound Complexity":533,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"4-[hydroxy-(4-hydroxy-1-naphthyl)-phenyl-methyl]naphthalen-1-ol","IUPAC Name CAS-like Style":"4-[hydroxy-(4-hydroxy-1-naphthalenyl)-phenylmethyl]-1-naphthalenol","IUPAC Name Markup":"4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol","IUPAC Name Preferred":"4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol","IUPAC Name Systematic":"4-[oxidanyl-(4-oxidanylnaphthalen-1-yl)-phenyl-methyl]naphthalen-1-ol","IUPAC Name Traditional":"4-[hydroxy-(4-hydroxy-1-naphthyl)-phenyl-methyl]-1-naphthol",InChI:"1S/C27H20O3/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(30,18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28-30H",InChIKey:"OUYLDJXFDLBCTQ-UHFFFAOYSA-N","Log P":6,"Exact Mass":392.1412445,"Molecular Formula":"C27H20O3","Molecular Weight":392.4,"Monoisotopic Mass":392.1412445,Charge:0,"Easy Name":"Α-Naphtholbenzein","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C27H20O3"},81530:{PUBCHEM:{CID:"81530","Compound Complexity":175,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Ethyl 2-cyanoprop-2-enoate","IUPAC Name CAS-like Style":"2-cyano-2-propenoic acid ethyl ester","IUPAC Name Markup":"Ethyl 2-cyanoprop-2-enoate","IUPAC Name Preferred":"Ethyl 2-cyanoprop-2-enoate","IUPAC Name Systematic":"Ethyl 2-cyanoprop-2-enoate","IUPAC Name Traditional":"2-cyanoacrylic acid ethyl ester",InChI:"1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3",InChIKey:"FGBJXOREULPLGL-UHFFFAOYSA-N","Log P":1,"Exact Mass":125.047678469,"Molecular Formula":"C6H7NO2","Molecular Weight":125.13,"Monoisotopic Mass":125.047678469,Charge:0,"Easy Name":"Ethyl cyanoacrylate","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"55 °C at 3 mm Hg"},"Color And Form":{Value:"Clear, colorless, liquid"},Density:{Value:"1.040 at 20 °C"},"Melting Point":{Value:"-20 to -25 °C"},Odor:{Value:"Strong , acrid odor"},"Refractive Index":{Value:"Index of refraction: 1.4391 at 20 °C/D"},Solubility:{Value:"Soluble in methyl ethyl ketone, toluene, acetone, DMF /N,N-dimethylformamide/, nitromethane"},"Vapor Pressure":{Value:"0.31 mm Hg at 20 °C"}},ReducedFormula:"C6H7N1O2"},81696:{PUBCHEM:{CID:"81696","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6+/m1/s1",InChIKey:"WQZGKKKJIJFFOK-URLGYRAOSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Talopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},81722:{PUBCHEM:{CID:"81722","Compound Complexity":148,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(4-methylenecyclohexyl)propan-2-ol","IUPAC Name CAS-like Style":"2-(4-methylenecyclohexyl)-2-propanol","IUPAC Name Markup":"2-(4-methylidenecyclohexyl)propan-2-ol","IUPAC Name Preferred":"2-(4-methylidenecyclohexyl)propan-2-ol","IUPAC Name Systematic":"2-(4-methylidenecyclohexyl)propan-2-ol","IUPAC Name Traditional":"2-(4-methylenecyclohexyl)propan-2-ol",InChI:"1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h9,11H,1,4-7H2,2-3H3",InChIKey:"SQIFACVGCPWBQZ-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":"Δ-Terpineol","Easy Category":"Terpenoid"},HSDB:{},ReducedFormula:"C10H18O1"},82050:{PUBCHEM:{CID:"82050","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;bromide","IUPAC Name CAS-like Style":"Lithium;bromide","IUPAC Name Markup":"Lithium;bromide","IUPAC Name Preferred":"Lithium;bromide","IUPAC Name Systematic":"Lithium;bromide","IUPAC Name Traditional":"Lithium;bromide",InChI:"1S/BrH.Li/h1H;/q;+1/p-1",InChIKey:"AMXOYNBUYSYVKV-UHFFFAOYSA-M","Exact Mass":85.93434,"Molecular Formula":"BrLi","Molecular Weight":86.9,"Monoisotopic Mass":85.93434,Charge:0,"Easy Name":"Lithium bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1Li1"},82127:{PUBCHEM:{CID:"82127","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;hydride","IUPAC Name CAS-like Style":"Potassium;hydride","IUPAC Name Markup":"Potassium;hydride","IUPAC Name Preferred":"Potassium;hydride","IUPAC Name Systematic":"Potassium;hydride","IUPAC Name Traditional":"Potassium;hydride",InChI:"1S/K.H/q+1;-1",InChIKey:"OCFVSFVLVRNXFJ-UHFFFAOYSA-N","Exact Mass":39.97153152,"Molecular Formula":"HK","Molecular Weight":40.106,"Monoisotopic Mass":39.97153152,Charge:0,"Easy Name":"Potassium hydride","Easy Category":"Hydride"},HSDB:{},ReducedFormula:"H1K1"},82208:{PUBCHEM:{CID:"82208","Compound Complexity":81.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(dioxo)molybdenum","IUPAC Name CAS-like Style":"Dihydroxy(dioxo)molybdenum","IUPAC Name Markup":"Dihydroxy(dioxo)molybdenum","IUPAC Name Preferred":"Dihydroxy(dioxo)molybdenum","IUPAC Name Systematic":"Bis(oxidanyl)-bis(oxidanylidene)molybdenum","IUPAC Name Traditional":"Dihydroxy(diketo)molybdenum",InChI:"1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2",InChIKey:"VLAPMBHFAWRUQP-UHFFFAOYSA-L","Exact Mass":163.900712,"Molecular Formula":"H2MoO4","Molecular Weight":162,"Monoisotopic Mass":163.900712,Charge:0,"Easy Name":"Molybdic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2Mo1O4"},82209:{PUBCHEM:{CID:"82209","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Difluoromercury","IUPAC Name CAS-like Style":"Difluoromercury","IUPAC Name Markup":"Difluoromercury","IUPAC Name Preferred":"Difluoromercury","IUPAC Name Systematic":"Bis(fluoranyl)mercury","IUPAC Name Traditional":"Difluoromercury",InChI:"1S/2FH.Hg/h2*1H;/q;;+2/p-2",InChIKey:"FMSYTQMJOCCCQS-UHFFFAOYSA-L","Exact Mass":239.96745,"Molecular Formula":"F2Hg","Molecular Weight":238.59,"Monoisotopic Mass":239.96745,Charge:0,"Easy Name":"Mercury (II) fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F2Hg1"},82210:{PUBCHEM:{CID:"82210","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;difluoride","IUPAC Name CAS-like Style":"Strontium;difluoride","IUPAC Name Markup":"Strontium;difluoride","IUPAC Name Preferred":"Strontium;difluoride","IUPAC Name Systematic":"Strontium;difluoride","IUPAC Name Traditional":"Strontium;difluoride",InChI:"1S/2FH.Sr/h2*1H;/q;;+2/p-2",InChIKey:"FVRNDBHWWSPNOM-UHFFFAOYSA-L","Exact Mass":125.90241858,"Molecular 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salt"},HSDB:{},ReducedFormula:"Ag1F2"},82222:{PUBCHEM:{CID:"82222","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodoalumane","IUPAC Name CAS-like Style":"Triiodoalumane","IUPAC Name Markup":"Triiodoalumane","IUPAC Name Preferred":"Triiodoalumane","IUPAC Name Systematic":"Tris(iodanyl)alumane","IUPAC Name Traditional":"Triiodoalumane",InChI:"1S/Al.3HI/h;3*1H/q+3;;;/p-3",InChIKey:"CECABOMBVQNBEC-UHFFFAOYSA-K","Exact Mass":407.695,"Molecular Formula":"AlI3","Molecular Weight":407.6949,"Monoisotopic Mass":407.695,Charge:0,"Easy Name":"Aluminium iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Al1I3"},82230:{PUBCHEM:{CID:"82230","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Beryllium;dibromide","IUPAC Name CAS-like Style":"Beryllium;dibromide","IUPAC Name Markup":"Beryllium;dibromide","IUPAC Name 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salt"},HSDB:{},ReducedFormula:"Br3Ga1"},83478:{PUBCHEM:{CID:"83478","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodogallane","IUPAC Name CAS-like Style":"Triiodogallane","IUPAC Name Markup":"Triiodogallane","IUPAC Name Preferred":"Triiodogallane","IUPAC Name Systematic":"Tris(iodanyl)gallane","IUPAC Name Traditional":"Triiodogallane",InChI:"1S/Ga.3HI/h;3*1H/q+3;;;/p-3",InChIKey:"DWRNSCDYNYYYHT-UHFFFAOYSA-K","Exact Mass":449.639,"Molecular Formula":"GaI3","Molecular Weight":450.44,"Monoisotopic Mass":449.639,Charge:0,"Easy Name":"Gallium (III) iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ga1I3"},83479:{PUBCHEM:{CID:"83479","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetraiodogermane","IUPAC Name CAS-like Style":"Tetraiodogermane","IUPAC Name Markup":"Tetraiodogermane","IUPAC Name Preferred":"Tetraiodogermane","IUPAC 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Preferred":"Dibromoplatinum","IUPAC Name Systematic":"Bis(bromanyl)platinum","IUPAC Name Traditional":"Dibromoplatinum",InChI:"1S/2BrH.Pt/h2*1H;/q;;+2/p-2",InChIKey:"KGRJUMGAEQQVFK-UHFFFAOYSA-L","Exact Mass":354.79942,"Molecular Formula":"Br2Pt","Molecular Weight":354.89,"Monoisotopic Mass":352.80147,Charge:0,"Easy Name":"Platinum (II) bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br2Pt1"},83495:{PUBCHEM:{CID:"83495","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tribromoscandium","IUPAC Name CAS-like Style":"Tribromoscandium","IUPAC Name Markup":"Tribromoscandium","IUPAC Name Preferred":"Tribromoscandium","IUPAC Name Systematic":"Tris(bromanyl)scandium","IUPAC Name Traditional":"Tribromoscandium",InChI:"1S/3BrH.Sc/h3*1H;/q;;;+3/p-3",InChIKey:"APPHYFNIXVIIJR-UHFFFAOYSA-K","Exact Mass":283.70887,"Molecular Formula":"Br3Sc","Molecular Weight":284.67,"Monoisotopic Mass":281.71092,Charge:0,"Easy 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Traditional":"Tribromoyttrium",InChI:"1S/3BrH.Y/h3*1H;/q;;;+3/p-3",InChIKey:"FSDCGXUNLWDJNL-UHFFFAOYSA-K","Exact Mass":327.6588,"Molecular Formula":"Br3Y","Molecular Weight":328.62,"Monoisotopic Mass":325.66085,Charge:0,"Easy Name":"Yttrium (III) bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br3Y1"},83506:{PUBCHEM:{CID:"83506","Compound Complexity":8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trifluorotitanium","IUPAC Name CAS-like Style":"Trifluorotitanium","IUPAC Name Markup":"Trifluorotitanium","IUPAC Name Preferred":"Trifluorotitanium","IUPAC Name Systematic":"Tris(fluoranyl)titanium","IUPAC Name Traditional":"Trifluorotitanium",InChI:"1S/3FH.Ti/h3*1H;/q;;;+3/p-3",InChIKey:"NLPMQGKZYAYAFE-UHFFFAOYSA-K","Exact Mass":104.94315,"Molecular Formula":"F3Ti","Molecular Weight":104.86,"Monoisotopic Mass":104.94315,Charge:0,"Easy Name":"Titanium (III) fluoride","Easy Category":"Inorganic 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salt"},HSDB:{},ReducedFormula:"Cl3Re1"},83584:{PUBCHEM:{CID:"83584","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachlororhenium","IUPAC Name CAS-like Style":"Tetrachlororhenium","IUPAC Name Markup":"Tetrachlororhenium","IUPAC Name Preferred":"Tetrachlororhenium","IUPAC Name Systematic":"Tetrakis(chloranyl)rhenium","IUPAC Name Traditional":"Tetrachlororhenium",InChI:"1S/4ClH.Re/h4*1H;/q;;;;+4/p-4",InChIKey:"UXMRNSHDSCDMLG-UHFFFAOYSA-J","Exact Mass":328.828213,"Molecular Formula":"Cl4Re","Molecular Weight":328,"Monoisotopic Mass":326.831163,Charge:0,"Easy Name":"Rhenium (IV) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl4Re1"},83586:{PUBCHEM:{CID:"83586","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodochromium","IUPAC Name CAS-like Style":"Triiodochromium","IUPAC Name Markup":"Triiodochromium","IUPAC Name 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salt"},HSDB:{},ReducedFormula:"Cl2Eu1"},83725:{PUBCHEM:{CID:"83725","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrabromohafnium","IUPAC Name CAS-like Style":"Tetrabromohafnium","IUPAC Name Markup":"Tetrabromohafnium","IUPAC Name Preferred":"Tetrabromohafnium","IUPAC Name Systematic":"Tetrakis(bromanyl)hafnium","IUPAC Name Traditional":"Tetrabromohafnium",InChI:"1S/4BrH.Hf/h4*1H;/q;;;;+4/p-4",InChIKey:"FEEFWFYISQGDKK-UHFFFAOYSA-J","Exact Mass":499.61581,"Molecular Formula":"Br4Hf","Molecular Weight":498.1,"Monoisotopic Mass":495.61991,Charge:0,"Easy Name":"Hafnium (IV) bromide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Br4Hf1"},83743:{PUBCHEM:{CID:"83743","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodolanthanum","IUPAC Name CAS-like Style":"Triiodolanthanum","IUPAC Name Markup":"Triiodolanthanum","IUPAC Name 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Systematic":"(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone","IUPAC Name Traditional":"(5-cyclopropylisoxazol-4-yl)-[2-mesyl-4-(trifluoromethyl)phenyl]methanone",InChI:"1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3",InChIKey:"OYIKARCXOQLFHF-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":359.04391353,"Molecular Formula":"C15H12F3NO4S","Molecular Weight":359.3,"Monoisotopic Mass":359.04391353,Charge:0,"Easy Name":"Isoxaflutole","Easy Category":"Herbicide"},HSDB:{"Color And Form":{Value:"Off-white or pale yellow solid"},Density:{Value:"1.590 g/cu cm"},"Melting Point":{Value:"138-138.5 °C"},Odor:{Value:"Slight acetic acid-like odor /Technical/"},pH:{Value:"pH = 4.6 at 25 °C"},Solubility:{Value:"In water, 6.2 mg/L at pH 5.5 and 20 °C"},Uses:{Value:"For isoxaflutole (USEPA/OPP Pesticide Code: 123000) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"7.5X10-9 mm Hg at 25 °C"}},ReducedFormula:"C15F3H12N1O4S1"},84155:{PUBCHEM:{CID:"84155","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Manganous;dioxido(dioxo)molybdenum","IUPAC Name CAS-like Style":"Dioxido(dioxo)molybdenum;manganese(2+)","IUPAC Name Markup":"Dioxido(dioxo)molybdenum;manganese(2+)","IUPAC Name Preferred":"Dioxido(dioxo)molybdenum;manganese(2+)","IUPAC Name Systematic":"Bis(oxidanidyl)-bis(oxidanylidene)molybdenum;manganese(2+)","IUPAC Name Traditional":"Manganous;diketo(dioxido)molybdenum",InChI:"1S/Mn.Mo.4O/q+2;;;;2*-1",InChIKey:"QYZFLCQIQOHNTP-UHFFFAOYSA-N","Exact Mass":216.823105,"Molecular Formula":"MnMoO4","Molecular Weight":214.9,"Monoisotopic Mass":216.823105,Charge:0,"Easy Name":"Manganese (II) molybdate","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Mn1Mo1O4"},84292:{PUBCHEM:{CID:"84292","Compound Complexity":74.5,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2,2-dimethylpentanal","IUPAC Name CAS-like Style":"2,2-dimethylpentanal","IUPAC Name Markup":"2,2-dimethylpentanal","IUPAC Name Preferred":"2,2-dimethylpentanal","IUPAC Name Systematic":"2,2-dimethylpentanal","IUPAC Name Traditional":"2,2-dimethylvaleraldehyde",InChI:"1S/C7H14O/c1-4-5-7(2,3)6-8/h6H,4-5H2,1-3H3",InChIKey:"YMXAGOUPXPGFLB-UHFFFAOYSA-N","Log P":2,"Exact Mass":114.10446507,"Molecular Formula":"C7H14O","Molecular Weight":114.19,"Monoisotopic Mass":114.10446507,Charge:0,"Easy Name":"2, 2-Dimethylpentanal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C7H14O1"},84464:{PUBCHEM:{CID:"84464","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Scandium(3+);triiodide","IUPAC Name CAS-like 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Traditional":"Ammonia;platinum(2+);dichloride",InChI:"1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2",InChIKey:"LXZZYRPGZAFOLE-UHFFFAOYSA-L","Exact Mass":298.955598,"Molecular Formula":"Cl2H6N2Pt","Molecular Weight":300,"Monoisotopic Mass":298.955598,Charge:0,"Easy Name":"Cisplatin","Easy Category":"Coordination compounds"},HSDB:{Uses:{Value:"Plating solution"}},ReducedFormula:"Cl2H6N2Pt1"},84740:{PUBCHEM:{CID:"84740","Compound Complexity":191,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid","IUPAC Name CAS-like Style":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Markup":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Preferred":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","IUPAC Name Systematic":"(2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid","IUPAC Name Traditional":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexanoic acid",InChI:"1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1",InChIKey:"IAJILQKETJEXLJ-RSJOWCBRSA-N","Log P":-2.6,"Exact Mass":194.04265266,"Molecular Formula":"C6H10O7","Molecular Weight":194.14,"Monoisotopic Mass":194.04265266,Charge:0,"Easy Name":"D-Galacturonic acid","Easy Category":"Uronic acid"},HSDB:{},ReducedFormula:"C6H10O7"},84741:{PUBCHEM:{CID:"84741","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromic;dichloride;hydroxide","IUPAC Name CAS-like Style":"Chromium(3+);dichloride;hydroxide","IUPAC Name Markup":"Chromium(3+);dichloride;hydroxide","IUPAC Name Preferred":"Chromium(3+);dichloride;hydroxide","IUPAC Name Systematic":"Chromium(3+);dichloride;hydroxide","IUPAC Name Traditional":"Chromic;dichloride;hydroxide",InChI:"1S/2ClH.Cr.H2O/h2*1H;;1H2/q;;+3;/p-3",InChIKey:"PTRDQJDHXDUJQE-UHFFFAOYSA-K","Exact Mass":138.88095,"Molecular Formula":"Cl2CrHO","Molecular Weight":139.91,"Monoisotopic Mass":138.88095,Charge:0,"Easy Name":"Chromium dichloride hydroxide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Cr1H1O1"},84815:{PUBCHEM:{CID:"84815","Compound Complexity":97,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R)-2-amino-4-methylsulfanyl-butanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-4-(methylthio)butanoic acid","IUPAC Name Markup":"(2R)-2-amino-4-methylsulfanylbutanoic acid","IUPAC Name Preferred":"(2R)-2-amino-4-methylsulfanylbutanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-4-methylsulfanyl-butanoic acid","IUPAC Name Traditional":"(2R)-2-amino-4-(methylthio)butyric acid",InChI:"1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",InChIKey:"FFEARJCKVFRZRR-SCSAIBSYSA-N","Log P":-1.9,"Exact Mass":149.05104977,"Molecular Formula":"C5H11NO2S","Molecular Weight":149.21,"Monoisotopic Mass":149.05104977,Charge:0,"Easy Name":"D-Methionine","Easy Category":"Amino acids"},HSDB:{"Boiling Point":{Value:"181 °C (decomposes)"},"Color And Form":{Value:"Minute hexagonal plates from dilute alcohol"},"Melting Point":{Value:"280-282 °C (decomposes, sealed capillary)"},Odor:{Value:"Faint"},pH:{Value:"pH (1% aqueous solution) = 5.6-6.1"},Solubility:{Value:"Soluble in water but the crystals are somewhat water-repellant at first"},Taste:{Value:"Sulfurous"},Uses:{Value:"Feed additive; vegetable oil enrichment; single-cell protein /DL-Methionine/"},"Vapor Pressure":{Value:"8.14X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C5H11N1O2S1"},84878:{PUBCHEM:{CID:"84878","Compound Complexity":10,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitridooxonium","IUPAC Name CAS-like Style":"Nitrilooxonium","IUPAC Name Markup":"Azanylidyneoxidanium","IUPAC Name Preferred":"Azanylidyneoxidanium","IUPAC Name Systematic":"Azanylidyneoxidanium","IUPAC Name Traditional":"Nitrilooxonium",InChI:"1S/NO/c1-2/q+1",InChIKey:"KEJOCWOXCDWNID-UHFFFAOYSA-N","Exact Mass":29.997988624,"Molecular Formula":"NO+","Molecular Weight":30.006,"Monoisotopic Mass":29.997988624,Charge:1,"Easy Name":"Nitrosonium","Easy Category":"Cation"},HSDB:{},ReducedFormula:"+1N1O1"},84927:{PUBCHEM:{CID:"84927","Compound Complexity":36.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iodate","IUPAC Name CAS-like Style":"Iodate","IUPAC Name Markup":"Iodate","IUPAC Name Preferred":"Iodate","IUPAC Name Systematic":"Iodate","IUPAC Name Traditional":"Iodate",InChI:"1S/HIO3/c2-1(3)4/h(H,2,3,4)/p-1",InChIKey:"ICIWUVCWSCSTAQ-UHFFFAOYSA-M","Log P":-.8,"Exact Mass":174.88922,"Molecular Formula":"IO3-","Molecular Weight":174.903,"Monoisotopic Mass":174.88922,Charge:-1,"Easy Name":"Iodate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1I1O3"},84959:{PUBCHEM:{CID:"84959","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Vanadium(2+);diiodide","IUPAC Name CAS-like Style":"Vanadium(2+);diiodide","IUPAC Name Markup":"Vanadium(2+);diiodide","IUPAC Name Preferred":"Vanadium(2+);diiodide","IUPAC Name Systematic":"Vanadium(2+);diiodide","IUPAC Name Traditional":"Vanadium(2+);diiodide",InChI:"1S/2HI.V/h2*1H;/q;;+2/p-2",InChIKey:"OJFNQCZRUJTCOZ-UHFFFAOYSA-L","Exact Mass":304.7529,"Molecular Formula":"I2V","Molecular Weight":304.75,"Monoisotopic Mass":304.7529,Charge:0,"Easy Name":"Vanadium (II) Iodide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"I2V1"},84979:{PUBCHEM:{CID:"84979","Compound Complexity":36.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bromate","IUPAC Name CAS-like Style":"Bromate","IUPAC Name Markup":"Bromate","IUPAC Name Preferred":"Bromate","IUPAC Name Systematic":"Bromate","IUPAC Name Traditional":"Bromate",InChI:"1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1",InChIKey:"SXDBWCPKPHAZSM-UHFFFAOYSA-M","Log P":-.7,"Exact Mass":126.90308,"Molecular Formula":"BrO3-","Molecular Weight":127.9,"Monoisotopic Mass":126.90308,Charge:-1,"Easy Name":"Bromate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1Br1O3"},85128:{PUBCHEM:{CID:"85128","Compound Complexity":720,"Hydrogen Bond Acceptor":18,"Hydrogen Bond Donor":10,"Rotatable Bond":16,"IUPAC Name Allowed":"[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid","IUPAC Name CAS-like Style":"[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid","IUPAC Name Markup":"[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid","IUPAC Name Preferred":"[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid","IUPAC Name Systematic":"[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid","IUPAC Name Traditional":"[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid",InChI:"1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)",InChIKey:"DUYCTCQXNHFCSJ-UHFFFAOYSA-N","Log P":-15.1,"Exact Mass":573.0208522,"Molecular Formula":"C9H28N3O15P5","Molecular Weight":573.2,"Monoisotopic Mass":573.0208522,Charge:0,"Easy Name":"DTPMP","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C9H28N3O15P5"},85247:{PUBCHEM:{CID:"85247","Compound Complexity":28.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iodo(trimethyl)silane","IUPAC Name CAS-like Style":"Iodo(trimethyl)silane","IUPAC Name Markup":"Iodo(trimethyl)silane","IUPAC Name Preferred":"Iodo(trimethyl)silane","IUPAC Name Systematic":"Iodanyl(trimethyl)silane","IUPAC Name Traditional":"Iodo(trimethyl)silane",InChI:"1S/C3H9ISi/c1-5(2,3)4/h1-3H3",InChIKey:"CSRZQMIRAZTJOY-UHFFFAOYSA-N","Exact Mass":199.95182,"Molecular Formula":"C3H9ISi","Molecular Weight":200.09,"Monoisotopic Mass":199.95182,Charge:0,"Easy Name":"Trimethylsilyl iodide","Easy Category":"Organosilicon compounds"},HSDB:{},ReducedFormula:"C3H9I1Si1"},85435:{PUBCHEM:{CID:"85435","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(3+);trihydroxide","IUPAC Name CAS-like Style":"Europium(3+);trihydroxide","IUPAC Name Markup":"Europium(3+);trihydroxide","IUPAC Name Preferred":"Europium(3+);trihydroxide","IUPAC Name Systematic":"Europium(3+);trihydroxide","IUPAC Name Traditional":"Europium(3+);trihydroxide",InChI:"1S/Eu.3H2O/h;3*1H2/q+3;;;/p-3",InChIKey:"CQQZFSZWNXAJQN-UHFFFAOYSA-K","Exact Mass":203.92946,"Molecular Formula":"EuH3O3","Molecular Weight":202.99,"Monoisotopic Mass":203.92946,Charge:0,"Easy Name":"Europium trihydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Eu1H3O3"},85438:{PUBCHEM:{CID:"85438","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Yttrium(3+);trihydroxide","IUPAC Name CAS-like Style":"Yttrium(3+);trihydroxide","IUPAC Name Markup":"Yttrium(3+);trihydroxide","IUPAC Name Preferred":"Yttrium(3+);trihydroxide","IUPAC Name Systematic":"Yttrium(3+);trihydroxide","IUPAC Name Traditional":"Yttrium(3+);trihydroxide",InChI:"1S/3H2O.Y/h3*1H2;/q;;;+3/p-3",InChIKey:"DEXZEPDUSNRVTN-UHFFFAOYSA-K","Exact Mass":139.91406,"Molecular Formula":"H3O3Y","Molecular Weight":139.928,"Monoisotopic Mass":139.91406,Charge:0,"Easy Name":"Yttrium Trihydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H3O3Y1"},85495:{PUBCHEM:{CID:"85495","Compound Complexity":756,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"2',7'-dibromo-1,1-dioxo-spiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol","IUPAC Name CAS-like Style":"2',7'-dibromo-1,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol","IUPAC Name Markup":"2',7'-dibromo-1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol","IUPAC Name Preferred":"2',7'-dibromo-1,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol","IUPAC Name Systematic":"2',7'-bis(bromanyl)-1,1-bis(oxidanylidene)spiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol","IUPAC Name Traditional":"2',7'-dibromo-1,1-diketo-spiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol",InChI:"1S/C19H10Br2O8S/c20-10-5-8-17(15(24)13(10)22)28-18-9(6-11(21)14(23)16(18)25)19(8)7-3-1-2-4-12(7)30(26,27)29-19/h1-6,22-25H",InChIKey:"QFXYYBXMARTXHI-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":557.84426,"Molecular Formula":"C19H10Br2O8S","Molecular Weight":558.2,"Monoisotopic Mass":555.84631,Charge:0,"Easy Name":"Bromopyrogallol Red","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"Br2C19H10O8S1"},85570:{PUBCHEM:{CID:"85570","Compound Complexity":193,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"4-methylbenzenesulfonate","IUPAC Name CAS-like Style":"4-methylbenzenesulfonate","IUPAC Name Markup":"4-methylbenzenesulfonate","IUPAC Name Preferred":"4-methylbenzenesulfonate","IUPAC Name Systematic":"4-methylbenzenesulfonate","IUPAC Name Traditional":"Tosylate",InChI:"1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1",InChIKey:"JOXIMZWYDAKGHI-UHFFFAOYSA-M","Log P":1.6,"Exact Mass":171.01159026,"Molecular Formula":"C7H7O3S-","Molecular Weight":171.2,"Monoisotopic Mass":171.01159026,Charge:-1,"Easy Name":"Tosylate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C7H7O3S1"},85756:{PUBCHEM:{CID:"85756","Compound Complexity":35,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1,1,2-tribromopropane","IUPAC Name CAS-like Style":"1,1,2-tribromopropane","IUPAC Name Markup":"1,1,2-tribromopropane","IUPAC Name Preferred":"1,1,2-tribromopropane","IUPAC Name Systematic":"1,1,2-tris(bromanyl)propane","IUPAC Name Traditional":"1,1,2-tribromopropane",InChI:"1S/C3H5Br3/c1-2(4)3(5)6/h2-3H,1H3",InChIKey:"ZLOLQHBVMYXNHX-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":279.79209,"Molecular Formula":"C3H5Br3","Molecular Weight":280.78,"Monoisotopic Mass":277.79414,Charge:0,"Easy Name":"1, 1, 2-Tribromopropane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br3C3H5"},85875:{PUBCHEM:{CID:"85875","Compound Complexity":187,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"1-(2,5-dimethoxy-4-methyl-phenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(2,5-dimethoxy-4-methylphenyl)-2-propanamine","IUPAC Name Markup":"1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine","IUPAC Name Preferred":"1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine","IUPAC Name Systematic":"1-(2,5-dimethoxy-4-methyl-phenyl)propan-2-amine","IUPAC Name Traditional":"[2-(2,5-dimethoxy-4-methyl-phenyl)-1-methyl-ethyl]amine",InChI:"1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3",InChIKey:"NTJQREUGJKIARY-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":209.14157886,"Molecular Formula":"C12H19NO2","Molecular Weight":209.28,"Monoisotopic Mass":209.14157886,Charge:0,"Easy Name":"1- (2, 5-dimethoxy-4-methylphenyl)propan-2-amine","Easy Category":"Phenethylamines"},HSDB:{"Melting Point":{Value:"60.5 to 60.1 °C"},Solubility:{Value:"In water, 4.88X10+3 mg/L at 25 °C (est)"},Uses:{Value:"This is a /DEA/ Schedule I controlled substance."},"Vapor Pressure":{Value:"5.93X10-4 mm Hg at 25 °C (est)"}},ReducedFormula:"C12H19N1O2"},86102:{PUBCHEM:{CID:"86102","Compound Complexity":326,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol","IUPAC Name CAS-like Style":"1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-3-pentanol","IUPAC Name Markup":"1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol","IUPAC Name Preferred":"1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol","IUPAC Name Systematic":"1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol","IUPAC Name Traditional":"1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol",InChI:"1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3",InChIKey:"PXMNMQRDXWABCY-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":307.14514,"Molecular Formula":"C16H22ClN3O","Molecular Weight":307.82,"Monoisotopic Mass":307.14514,Charge:0,"Easy Name":"Tebuconazole","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Colorless crystals"},"Melting Point":{Value:"105 °C"},Solubility:{Value:"In water, 36 mg/L at pH 5-9, 20 °C"},Uses:{Value:"For Tebuconazole (USEPA/OPP Pesticide Code: 128997) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.7X10-6 Pa (1.3X10-8 mm Hg) at 20 °C"}},ReducedFormula:"C16Cl1H22N3O1"},86132:{PUBCHEM:{CID:"86132","Compound Complexity":331,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol","IUPAC Name CAS-like Style":"2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)-2-butanol","IUPAC Name Markup":"2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol","IUPAC Name Preferred":"2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol","IUPAC Name Systematic":"2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol","IUPAC Name Traditional":"2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol",InChI:"1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3",InChIKey:"UFNOUKDBUJZYDE-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":291.1138399,"Molecular Formula":"C15H18ClN3O","Molecular Weight":291.77,"Monoisotopic Mass":291.1138399,Charge:0,"Easy Name":"Cyproconazole","Easy Category":"Heterocyclic compound"},HSDB:{"Boiling Point":{Value:">250 °C"},"Color And Form":{Value:"Colorless crystals from hexane/CH2Cl2"},Density:{Value:"1.25 g/cu cm"},"Melting Point":{Value:"106.2-106.9 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Readily soluble in acetone, ethanol, xylene, and dimethyl sulfoxide"},Uses:{Value:"For cyproconazole (USEPA/OPP Pesticide Code: 128993) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.59X10-7 mm Hg at 25 °C"}},ReducedFormula:"C15Cl1H18N3O1"},86137:{PUBCHEM:{CID:"86137","Compound Complexity":491,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)pyridine-3-carboxylic acid","IUPAC Name CAS-like Style":"5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid","IUPAC Name Markup":"5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid","IUPAC Name Preferred":"5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid","IUPAC Name Systematic":"5-(methoxymethyl)-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid","IUPAC Name Traditional":"2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5-(methoxymethyl)nicotinic acid",InChI:"1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)",InChIKey:"NUPJIGQFXCQJBK-UHFFFAOYSA-N","Log P":.9,"Exact Mass":305.1375561,"Molecular Formula":"C15H19N3O4","Molecular Weight":305.33,"Monoisotopic Mass":305.1375561,Charge:0,"Easy Name":"Imazamox","Easy Category":"Herbicide"},HSDB:{"Color And Form":{Value:"Off-white powdered solid"},Density:{Value:"1.39 g/mL"},"Melting Point":{Value:"166.0 to 166.7 °C"},Odor:{Value:"Odorless"},pH:{Value:"2.35, 1% aqueous suspension (w:v) at 24.5 °C"},Solubility:{Value:"In water, 4,160 ppm (mg/L) at 20 °C /deionized water/"},Uses:{Value:"For imazamox (USEPA/OPP Pesticide Code: 129171) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.26X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H19N3O4"},86173:{PUBCHEM:{CID:"86173","Compound Complexity":495,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name CAS-like Style":"1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name Markup":"1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name Preferred":"1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name Systematic":"1-[[2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole","IUPAC Name Traditional":"1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole",InChI:"1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3",InChIKey:"BQYJATMQXGBDHF-UHFFFAOYSA-N","Log P":4,"Exact Mass":405.0646968,"Molecular Formula":"C19H17Cl2N3O3","Molecular Weight":406.3,"Monoisotopic Mass":405.0646968,Charge:0,"Easy Name":"Difenoconazole","Easy Category":"Fungicide"},HSDB:{"Boiling Point":{Value:"100.8 °C (3.7 mPa)"},"Color And Form":{Value:"White crystalline solid"},Density:{Value:"1.5 g/cu cm at 20 °C"},"Melting Point":{Value:"78.6 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 15 mg/L at 25 °C"},"Vapor Pressure":{Value:"2.5X10-10 mm Hg at 25 °C (3.3X10-5 mPa)"},Viscosity:{Value:"529 cP at 25 °C"}},ReducedFormula:"C19Cl2H17N3O3"},86222:{PUBCHEM:{CID:"86222","Compound Complexity":582,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluoro-phenyl]propanoate","IUPAC Name CAS-like Style":"2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid ethyl ester","IUPAC Name Markup":"Ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate","IUPAC Name Preferred":"Ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate","IUPAC Name Systematic":"Ethyl 3-[5-[4-[bis(fluoranyl)methyl]-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]-2-chloranyl-4-fluoranyl-phenyl]-2-chloranyl-propanoate","IUPAC Name Traditional":"2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]-4-fluoro-phenyl]propionic acid ethyl ester",InChI:"1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3",InChIKey:"MLKCGVHIFJBRCD-UHFFFAOYSA-N","Log P":4,"Exact Mass":411.0364312,"Molecular Formula":"C15H14Cl2F3N3O3","Molecular Weight":412.2,"Monoisotopic Mass":411.0364312,Charge:0,"Easy Name":"Carfentrazone-ethyl","Easy Category":"Herbicide"},HSDB:{"Boiling Point":{Value:"350-355 °C"},"Color And Form":{Value:"Viscous yellow-orange liquid"},Density:{Value:"1.457 g/cu cm at 20 °C"},"Melting Point":{Value:"-22.1 °C"},Odor:{Value:"Faint petroleum odor"},pH:{Value:"pH of 1% aqueous solution = 5.8"},Solubility:{Value:"In water, 12 mg/L at 20 °C, 22 mg/L at 25 °C, and 23 mg/L at 30 °C."},Uses:{Value:"For carfentrazone-ethyl (USEPA/OPP Pesticide Code: 128712) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.20X10-7 mm Hg at 25 °C"}},ReducedFormula:"C15Cl2F3H14N3O3"},86355:{PUBCHEM:{CID:"86355","Compound Complexity":665,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonyl-urea","IUPAC Name CAS-like Style":"1-(4,6-dimethoxy-2-pyrimidinyl)-3-[[2-methyl-4-(2-methyl-5-tetrazolyl)-3-pyrazolyl]sulfonyl]urea","IUPAC Name Markup":"1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea","IUPAC Name Preferred":"1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea","IUPAC Name Systematic":"1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyl-1,2,3,4-tetrazol-5-yl)pyrazol-3-yl]sulfonyl-urea","IUPAC Name Traditional":"1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonyl-urea",InChI:"1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)",InChIKey:"MAHPNPYYQAIOJN-UHFFFAOYSA-N","Log P":.3,"Exact Mass":424.10258483,"Molecular Formula":"C13H16N10O5S","Molecular Weight":424.4,"Monoisotopic Mass":424.10258483,Charge:0,"Easy Name":"1- (4, 6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4- (2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C13H16N10O5S1"},86418:{PUBCHEM:{CID:"86418","Compound Complexity":319,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"N-[1-[(6-chloro-3-pyridyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide","IUPAC Name CAS-like Style":"N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide","IUPAC Name Markup":"N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide","IUPAC Name Preferred":"N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide","IUPAC Name Systematic":"N-[1-[(6-chloranylpyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide","IUPAC Name Traditional":"N-[1-[(6-chloro-3-pyridyl)methyl]-2-imidazolin-2-yl]nitramide",InChI:"1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",InChIKey:"YWTYJOPNNQFBPC-UHFFFAOYSA-N","Log P":.8,"Exact Mass":255.0523023,"Molecular Formula":"C9H10ClN5O2","Molecular Weight":255.66,"Monoisotopic Mass":255.0523023,Charge:0,"Easy Name":"Imidacloprid","Easy Category":"Insecticide"},HSDB:{},ReducedFormula:"C9Cl1H10N5O2"},86429:{PUBCHEM:{CID:"86429","Compound Complexity":431,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"N-(4-fluorophenyl)-N-isopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide","IUPAC Name CAS-like Style":"N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide","IUPAC Name Markup":"N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide","IUPAC Name Preferred":"N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide","IUPAC Name Systematic":"N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]ethanamide","IUPAC Name Traditional":"N-(4-fluorophenyl)-N-isopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide",InChI:"1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3",InChIKey:"IANUJLZYFUDJIH-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":363.0664605,"Molecular Formula":"C14H13F4N3O2S","Molecular Weight":363.33,"Monoisotopic Mass":363.0664605,Charge:0,"Easy Name":"Flufenacet","Easy Category":"Amide"},HSDB:{"Boiling Point":{Value:"Decomposes"},"Color And Form":{Value:"White to tan solid"},Density:{Value:"1.312 g/mL"},"Melting Point":{Value:"76-79 °C"},Odor:{Value:"Mercaptan-like odor"},Solubility:{Value:"Solubility in organic solvents (g/L at 20 °C): n-hexane - 8.7; toluene - >200; dichloromethane - >200; 2-propanol - 170; 1-octanol - 88; polyethylene glycol - 74; acetone - >200; dimethylformamide - >200; acetonitrile - >200; dimethylsulfoxide - >200"},Uses:{Value:"For flufenacet (USEPA/OPP Pesticide Code: 121903) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"6.75X10-7 mm Hg at 20 °C (6.0X10-2 mPa at 20 °C)"}},ReducedFormula:"C14F4H13N3O2S1"},86575:{PUBCHEM:{CID:"86575","Compound Complexity":1720,"Hydrogen Bond Acceptor":40,"Hydrogen Bond Donor":24,"Rotatable Bond":8,"IUPAC Name Allowed":"5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol","IUPAC Name CAS-like Style":"5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol","IUPAC Name Markup":"5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol","IUPAC Name Preferred":"5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol","IUPAC Name Systematic":"5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol","IUPAC Name Traditional":"5,10,15,20,25,30,35,40-octamethylol-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol",InChI:"1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2",InChIKey:"GDSRMADSINPKSL-UHFFFAOYSA-N","Log P":-17.2,"Exact Mass":1296.42258736,"Molecular Formula":"C48H80O40","Molecular Weight":1297.1,"Monoisotopic Mass":1296.42258736,Charge:0,"Easy Name":"Γ-Cyclodextrin","Easy Category":"Carbohydrate"},HSDB:{},ReducedFormula:"C48H80O40"},86758:{PUBCHEM:{CID:"86758","Compound Complexity":319,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"4,7,7-trimethyl-3-oxo-norbornane-2-carboxylic acid","IUPAC Name CAS-like Style":"4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanecarboxylic acid","IUPAC Name Markup":"4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylic acid","IUPAC Name Preferred":"4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylic acid","IUPAC Name Systematic":"4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-carboxylic acid","IUPAC Name Traditional":"3-keto-4,7,7-trimethyl-norbornane-2-carboxylic acid",InChI:"1S/C11H16O3/c1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)",InChIKey:"XNMVAVGXJZFTEH-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":196.10994437,"Molecular Formula":"C11H16O3","Molecular Weight":196.24,"Monoisotopic Mass":196.10994437,Charge:0,"Easy Name":"Angimuth","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C11H16O3"},86855:{PUBCHEM:{CID:"86855","Compound Complexity":66.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"3,4-dimethylpentanal","IUPAC Name CAS-like Style":"3,4-dimethylpentanal","IUPAC Name Markup":"3,4-dimethylpentanal","IUPAC Name Preferred":"3,4-dimethylpentanal","IUPAC Name Systematic":"3,4-dimethylpentanal","IUPAC Name Traditional":"3,4-dimethylvaleraldehyde",InChI:"1S/C7H14O/c1-6(2)7(3)4-5-8/h5-7H,4H2,1-3H3",InChIKey:"SZBNDYYJXRXQHA-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":114.10446507,"Molecular Formula":"C7H14O","Molecular Weight":114.19,"Monoisotopic Mass":114.10446507,Charge:0,"Easy Name":"3, 4-Dimethylpentanal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C7H14O1"},87015:{PUBCHEM:{CID:"87015","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;azanide","IUPAC Name CAS-like Style":"Potassium;azanide","IUPAC Name Markup":"Potassium;azanide","IUPAC Name Preferred":"Potassium;azanide","IUPAC Name Systematic":"Potassium;azanide","IUPAC Name Traditional":"Potassium;azanide",InChI:"1S/K.H2N/h;1H2/q+1;-1",InChIKey:"FEMRXDWBWXQOGV-UHFFFAOYSA-N","Exact Mass":54.98243056,"Molecular Formula":"H2KN","Molecular Weight":55.121,"Monoisotopic Mass":54.98243056,Charge:0,"Easy Name":"Potassium amide","Easy Category":"Inorganic amides"},HSDB:{},ReducedFormula:"H2K1N1"},87176:{PUBCHEM:{CID:"87176","Compound Complexity":558,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethyl-propan-2-amine","IUPAC Name CAS-like Style":"1,3-bis(benzenesulfonylthio)-N,N-dimethyl-2-propanamine","IUPAC Name Markup":"1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine","IUPAC Name Preferred":"1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine","IUPAC Name Systematic":"N,N-dimethyl-1,3-bis(phenylsulfonylsulfanyl)propan-2-amine","IUPAC Name Traditional":"[2-(besylthio)-1-[(besylthio)methyl]ethyl]-dimethyl-amine",InChI:"1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3",InChIKey:"YFXPPSKYMBTNAV-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":431.03534286,"Molecular Formula":"C17H21NO4S4","Molecular Weight":431.6,"Monoisotopic Mass":431.03534286,Charge:0,"Easy Name":"Bensultap","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C17H21N1O4S4"},87230:{PUBCHEM:{CID:"87230","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Scandium(3+);trihydroxide","IUPAC Name CAS-like Style":"Scandium(3+);trihydroxide","IUPAC Name Markup":"Scandium(3+);trihydroxide","IUPAC Name Preferred":"Scandium(3+);trihydroxide","IUPAC Name Systematic":"Scandium(3+);trihydroxide","IUPAC Name Traditional":"Scandium(3+);trihydroxide",InChI:"1S/3H2O.Sc/h3*1H2;/q;;;+3/p-3",InChIKey:"LQPWUWOODZHKKW-UHFFFAOYSA-K","Exact Mass":95.964126,"Molecular Formula":"H3O3Sc","Molecular Weight":95.978,"Monoisotopic Mass":95.964126,Charge:0,"Easy Name":"Scandium hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H3O3Sc1"},87310:{PUBCHEM:{CID:"87310","Compound Complexity":181,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R)-3-allylsulfinyl-2-amino-propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid","IUPAC Name Markup":"(2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid","IUPAC Name Preferred":"(2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-3-prop-2-enylsulfinyl-propanoic acid","IUPAC Name Traditional":"(2R)-3-allylsulfinyl-2-amino-propionic acid",InChI:"1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1",InChIKey:"XUHLIQGRKRUKPH-ITZCMCNPSA-N","Log P":-3.5,"Exact Mass":177.04596439,"Molecular Formula":"C6H11NO3S","Molecular Weight":177.22,"Monoisotopic Mass":177.04596439,Charge:0,"Easy Name":"Alliin","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C6H11N1O3S1"},87370:{PUBCHEM:{CID:"87370","Compound Complexity":35.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"1-ethoxypentane","IUPAC Name CAS-like Style":"1-ethoxypentane","IUPAC Name Markup":"1-ethoxypentane","IUPAC Name Preferred":"1-ethoxypentane","IUPAC Name Systematic":"1-ethoxypentane","IUPAC Name Traditional":"1-ethoxypentane",InChI:"1S/C7H16O/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3",InChIKey:"VDMXPMYSWFDBJB-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":116.12011514,"Molecular Formula":"C7H16O","Molecular Weight":116.2,"Monoisotopic Mass":116.12011514,Charge:0,"Easy Name":"1-Ethoxypentane","Easy Category":"Ether"},HSDB:{},ReducedFormula:"C7H16O1"},87672:{PUBCHEM:{CID:"87672","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;dihydroxide","IUPAC Name CAS-like Style":"Strontium;dihydroxide","IUPAC Name Markup":"Strontium;dihydroxide","IUPAC Name Preferred":"Strontium;dihydroxide","IUPAC Name Systematic":"Strontium;dihydroxide","IUPAC Name Traditional":"Strontium;dihydroxide",InChI:"1S/2H2O.Sr/h2*1H2;/q;;+2/p-2",InChIKey:"UUCCCPNEFXQJEL-UHFFFAOYSA-L","Exact Mass":121.91109156,"Molecular Formula":"H2O2Sr","Molecular Weight":121.6,"Monoisotopic Mass":121.91109156,Charge:0,"Easy Name":"Strontium hydroxide","Easy Category":"Alkali"},HSDB:{},ReducedFormula:"H2O2Sr1"},87681:{PUBCHEM:{CID:"87681","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Aminoammonium","IUPAC Name CAS-like Style":"Aminoammonium","IUPAC Name Markup":"Aminoazanium","IUPAC Name Preferred":"Aminoazanium","IUPAC Name Systematic":"Azanylazanium","IUPAC Name Traditional":"Aminoammonium",InChI:"1S/H4N2/c1-2/h1-2H2/p+1",InChIKey:"OAKJQQAXSVQMHS-UHFFFAOYSA-O","Log P":-1.5,"Exact Mass":33.04527317,"Molecular Formula":"H5N2+","Molecular Weight":33.054,"Monoisotopic Mass":33.04527317,Charge:1,"Easy Name":"Hydrazinium","Easy Category":"Cation"},HSDB:{},ReducedFormula:"+1H5N2"},87975:{PUBCHEM:{CID:"87975","Compound Complexity":134,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Calcium;(2S)-2-aminopentanedioate","IUPAC Name CAS-like Style":"Calcium;(2S)-2-aminopentanedioate","IUPAC Name Markup":"Calcium;(2S)-2-aminopentanedioate","IUPAC Name Preferred":"Calcium;(2S)-2-aminopentanedioate","IUPAC Name Systematic":"Calcium;(2S)-2-azanylpentanedioate","IUPAC Name Traditional":"Calcium;(2S)-2-aminoglutarate",InChI:"1S/C5H9NO4.Ca/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+2/p-2/t3-;/m0./s1",InChIKey:"NIDRASOKXCQPKX-DFWYDOINSA-L","Exact Mass":185.0000986,"Molecular Formula":"C5H7CaNO4","Molecular Weight":185.19,"Monoisotopic Mass":185.0000986,Charge:0,"Easy Name":"Calcium L-glutamate (1:1)","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C5Ca1H7N1O4"},88163:{PUBCHEM:{CID:"88163","Compound Complexity":15.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;azide","IUPAC Name CAS-like Style":"Lithium;azide","IUPAC Name Markup":"Lithium;azide","IUPAC Name Preferred":"Lithium;azide","IUPAC Name Systematic":"Lithium;azide","IUPAC Name Traditional":"Lithium;azide",InChI:"1S/Li.N3/c;1-3-2/q+1;-1",InChIKey:"GUWHRJQTTVADPB-UHFFFAOYSA-N","Exact Mass":49.02522545,"Molecular Formula":"LiN3","Molecular Weight":49,"Monoisotopic Mass":49.02522545,Charge:0,"Easy Name":"Lithium azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Li1N3"},88363:{PUBCHEM:{CID:"88363","Compound Complexity":232,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"[(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] ester","IUPAC Name Markup":"[(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate","IUPAC Name Preferred":"[(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate","IUPAC Name Systematic":"[(1S,6S,8aS)-6-azanyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(1S,6S,8aS)-6-aminoindolizidin-1-yl] ester",InChI:"1S/C10H18N2O2/c1-7(13)14-10-4-5-12-6-8(11)2-3-9(10)12/h8-10H,2-6,11H2,1H3/t8-,9-,10-/m0/s1",InChIKey:"YYIUHLPAZILPSG-GUBZILKMSA-N","Log P":0,"Exact Mass":198.13682783,"Molecular Formula":"C10H18N2O2","Molecular Weight":198.26,"Monoisotopic Mass":198.13682783,Charge:0,"Easy Name":"Slaframine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C10H18N2O2"},88409:{PUBCHEM:{CID:"88409","Compound Complexity":10,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Boranylidynephosphane","IUPAC Name CAS-like Style":"Boranylidynephosphine","IUPAC Name Markup":"Boranylidynephosphane","IUPAC Name Preferred":"Boranylidynephosphane","IUPAC Name Systematic":"Boranylidynephosphane","IUPAC Name Traditional":"Borylidynephosphine",InChI:"1S/BP/c1-2",InChIKey:"FFBGYFUYJVKRNV-UHFFFAOYSA-N","Exact Mass":41.9830672,"Molecular Formula":"BP","Molecular Weight":41.79,"Monoisotopic Mass":41.9830672,Charge:0,"Easy Name":"Boron phosphide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"B1P1"},88494:{PUBCHEM:{CID:"88494","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Titanium(4+);tetrahydroxide","IUPAC Name CAS-like Style":"Titanium(4+);tetrahydroxide","IUPAC Name Markup":"Titanium(4+);tetrahydroxide","IUPAC Name Preferred":"Titanium(4+);tetrahydroxide","IUPAC Name Systematic":"Titanium(4+);tetrahydroxide","IUPAC Name Traditional":"Titanium(4+);tetrahydroxide",InChI:"1S/4H2O.Ti/h4*1H2;/q;;;;+4/p-4",InChIKey:"LLZRNZOLAXHGLL-UHFFFAOYSA-J","Exact Mass":115.9589,"Molecular Formula":"H4O4Ti","Molecular Weight":115.9,"Monoisotopic Mass":115.9589,Charge:0,"Easy Name":"Orthotitanic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H4O4Ti1"},88627:{PUBCHEM:{CID:"88627","Compound Complexity":123,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"Nonyl nitrate","IUPAC Name CAS-like Style":"Nitric acid nonyl ester","IUPAC Name Markup":"Nonyl nitrate","IUPAC Name Preferred":"Nonyl nitrate","IUPAC Name Systematic":"Nonyl nitrate","IUPAC Name Traditional":"Nitric acid nonyl ester",InChI:"1S/C9H19NO3/c1-2-3-4-5-6-7-8-9-13-10(11)12/h2-9H2,1H3",InChIKey:"CMNNRVWVNGXINV-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":189.13649348,"Molecular Formula":"C9H19NO3","Molecular Weight":189.25,"Monoisotopic Mass":189.13649348,Charge:0,"Easy Name":"Nonyl nitrate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C9H19N1O3"},88640:{PUBCHEM:{CID:"88640","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(oxo)gallane","IUPAC Name CAS-like Style":"Hydroxy(oxo)gallane","IUPAC Name Markup":"Hydroxy(oxo)gallane","IUPAC Name Preferred":"Hydroxy(oxo)gallane","IUPAC Name Systematic":"Oxidanyl(oxidanylidene)gallane","IUPAC Name Traditional":"Hydroxy(keto)gallane",InChI:"1S/Ga.H2O.O/h;1H2;/q+1;;/p-1",InChIKey:"ZIMMUTZCWZAVJS-UHFFFAOYSA-M","Exact Mass":101.92323,"Molecular Formula":"GaHO2","Molecular Weight":102.73,"Monoisotopic Mass":101.92323,Charge:0,"Easy Name":"Hydroxy (oxo)gallium","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"Ga1H1O2"},88686:{PUBCHEM:{CID:"88686","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(oxo)chromium","IUPAC Name CAS-like Style":"Hydroxy(oxo)chromium","IUPAC Name Markup":"Hydroxy(oxo)chromium","IUPAC Name Preferred":"Hydroxy(oxo)chromium","IUPAC Name Systematic":"Oxidanyl(oxidanylidene)chromium","IUPAC Name Traditional":"Hydroxy(keto)chromium",InChI:"1S/Cr.H2O.O/h;1H2;/q+1;;/p-1",InChIKey:"ZYTCXJJOQAPZTQ-UHFFFAOYSA-M","Exact Mass":84.938159,"Molecular Formula":"CrHO2","Molecular Weight":85.003,"Monoisotopic Mass":84.938159,Charge:0,"Easy Name":"Hydroxy (oxo)chromium","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Cr1H1O2"},88989:{PUBCHEM:{CID:"88989","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxotin","IUPAC Name CAS-like Style":"Oxotin","IUPAC Name Markup":"Oxotin","IUPAC Name Preferred":"Oxotin","IUPAC Name Systematic":"Oxidanylidenetin","IUPAC Name Traditional":"Ketotin",InChI:"1S/O.Sn",InChIKey:"QHGNHLZPVBIIPX-UHFFFAOYSA-N","Exact Mass":135.897116,"Molecular Formula":"OSn","Molecular Weight":134.71,"Monoisotopic Mass":135.897116,Charge:0,"Easy Name":"Tin (II) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O1Sn1"},89817:{PUBCHEM:{CID:"89817","Compound Complexity":26.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;azide","IUPAC Name CAS-like Style":"Cesium;azide","IUPAC Name Markup":"Cesium;azide","IUPAC Name Preferred":"Cesium;azide","IUPAC Name Systematic":"Cesium;azide","IUPAC Name Traditional":"Cesium;azide",InChI:"1S/Cs.N3/c;1-3-2/q+1;-1",InChIKey:"AYTVLULEEPNWAX-UHFFFAOYSA-N","Exact Mass":174.91467397,"Molecular Formula":"CsN3","Molecular Weight":174.926,"Monoisotopic Mass":174.91467397,Charge:0,"Easy Name":"Caesium azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs1N3"},90173:{PUBCHEM:{CID:"90173","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6+/m0/s1",InChIKey:"GZCGUPFRVQAUEE-OMMKOOBNSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"L-Talose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},90209:{PUBCHEM:{CID:"90209","Compound Complexity":547,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":8,"Rotatable Bond":15,"IUPAC Name Allowed":"[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name CAS-like Style":"[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Markup":"[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Preferred":"[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Systematic":"[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid","IUPAC Name Traditional":"[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid",InChI:"1S/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)",InChIKey:"KIDJHPQACZGFTI-UHFFFAOYSA-N","Log P":-9.7,"Exact Mass":492.05927234,"Molecular Formula":"C10H28N2O12P4","Molecular Weight":492.23,"Monoisotopic Mass":492.05927234,Charge:0,"Easy Name":"HDTMP","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C10H28N2O12P4"},90455:{PUBCHEM:{CID:"90455","Compound Complexity":10,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitridoalumane","IUPAC Name CAS-like Style":"Nitriloalumane","IUPAC Name Markup":"Azanylidynealumane","IUPAC Name Preferred":"Azanylidynealumane","IUPAC Name Systematic":"Azanylidynealumane","IUPAC Name Traditional":"Nitriloalumane",InChI:"1S/Al.N",InChIKey:"PIGFYZPCRLYGLF-UHFFFAOYSA-N","Exact Mass":40.9846124,"Molecular Formula":"AlN","Molecular Weight":40.988,"Monoisotopic Mass":40.9846124,Charge:0,"Easy Name":"Aluminium nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"Al1N1"},90570:{PUBCHEM:{CID:"90570","Compound Complexity":10,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitridovanadium","IUPAC Name CAS-like Style":"Nitrilovanadium","IUPAC Name Markup":"Azanylidynevanadium","IUPAC Name Preferred":"Azanylidynevanadium","IUPAC Name Systematic":"Azanylidynevanadium","IUPAC Name Traditional":"Nitrilovanadium",InChI:"1S/N.V",InChIKey:"SKKMWRVAJNPLFY-UHFFFAOYSA-N","Exact Mass":64.947031,"Molecular Formula":"NV","Molecular Weight":64.948,"Monoisotopic Mass":64.947031,Charge:0,"Easy Name":"Vanadium nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"N1V1"},90624:{PUBCHEM:{CID:"90624","Compound Complexity":93.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3R)-2-amino-3-hydroxy-butanoic acid","IUPAC Name CAS-like Style":"(2R,3R)-2-amino-3-hydroxybutanoic acid","IUPAC Name Markup":"(2R,3R)-2-amino-3-hydroxybutanoic acid","IUPAC Name Preferred":"(2R,3R)-2-amino-3-hydroxybutanoic acid","IUPAC Name Systematic":"(2R,3R)-2-azanyl-3-oxidanyl-butanoic acid","IUPAC Name Traditional":"(2R,3R)-2-amino-3-hydroxy-butyric acid",InChI:"1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1",InChIKey:"AYFVYJQAPQTCCC-PWNYCUMCSA-N","Log P":-2.9,"Exact Mass":119.058243153,"Molecular Formula":"C4H9NO3","Molecular Weight":119.12,"Monoisotopic Mass":119.058243153,Charge:0,"Easy Name":"D-allo-Threonine (2R, 3R)","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C4H9N1O3"},90727:{PUBCHEM:{CID:"90727","Compound Complexity":59.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"2-ethylpentanal","IUPAC Name CAS-like Style":"2-ethylpentanal","IUPAC Name Markup":"2-ethylpentanal","IUPAC Name Preferred":"2-ethylpentanal","IUPAC Name Systematic":"2-ethylpentanal","IUPAC Name Traditional":"2-ethylvaleraldehyde",InChI:"1S/C7H14O/c1-3-5-7(4-2)6-8/h6-7H,3-5H2,1-2H3",InChIKey:"OZGRFPZYTKHWMZ-UHFFFAOYSA-N","Log P":2,"Exact Mass":114.10446507,"Molecular Formula":"C7H14O","Molecular Weight":114.19,"Monoisotopic Mass":114.10446507,Charge:0,"Easy Name":"2-Ethylvaleraldehyde","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C7H14O1"},91253:{PUBCHEM:{CID:"91253","Compound Complexity":149,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"1-(3-methoxy-4-methyl-phenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(3-methoxy-4-methylphenyl)-2-propanamine","IUPAC Name Markup":"1-(3-methoxy-4-methylphenyl)propan-2-amine","IUPAC Name Preferred":"1-(3-methoxy-4-methylphenyl)propan-2-amine","IUPAC Name Systematic":"1-(3-methoxy-4-methyl-phenyl)propan-2-amine","IUPAC Name Traditional":"[2-(3-methoxy-4-methyl-phenyl)-1-methyl-ethyl]amine",InChI:"1S/C11H17NO/c1-8-4-5-10(6-9(2)12)7-11(8)13-3/h4-5,7,9H,6,12H2,1-3H3",InChIKey:"XDXMRSBXBOXSQW-UHFFFAOYSA-N","Log P":2,"Exact Mass":179.13101417,"Molecular Formula":"C11H17NO","Molecular Weight":179.26,"Monoisotopic Mass":179.13101417,Charge:0,"Easy Name":"3-Methoxy-4-methylamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C11H17N1O1"},91435:{PUBCHEM:{CID:"91435","Compound Complexity":53.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2-hydroxypropanoate","IUPAC Name CAS-like Style":"2-hydroxypropanoate","IUPAC Name Markup":"2-hydroxypropanoate","IUPAC Name Preferred":"2-hydroxypropanoate","IUPAC Name Systematic":"2-oxidanylpropanoate","IUPAC Name Traditional":"Lactate",InChI:"1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1",InChIKey:"JVTAAEKCZFNVCJ-UHFFFAOYSA-M","Log P":.2,"Exact Mass":89.02386902,"Molecular Formula":"C3H5O3-","Molecular Weight":89.07,"Monoisotopic Mass":89.02386902,Charge:-1,"Easy Name":"Lactate anion","Easy Category":"Anion"},HSDB:{"Boiling Point":{Value:"122 °C at 15 mm Hg"},"Color And Form":{Value:"Crystals (melt at 16.8 °C)"},"Critical Temperature And Pressure":{Value:"Critical temperature: 675 deg K; critical pressure: 5960 kPa (est)"},Density:{Value:"1.2060 g/cu cm at 21 °C"},"Melting Point":{Value:"16.8 °C"},Odor:{Value:"Odorless"},pH:{Value:"The pH of a 10 wt% aqueous solution of lactic acid is 1.75"},"Refractive Index":{Value:"Index of refraction = 1.4392 at 20 °C"},Solubility:{Value:"Completely soluble in water"},Taste:{Value:"Mild acid taste and does not overpower weaker aromatic flavors"},Uses:{Value:"The fastest growing use for lactic acid is its use as a monomer for the production of polylactic acid or polylactide (PLA). ... Applications for PLA include containers for the food and beverage industries, films and rigid containers for packaging, and serviceware (cups, plates, utensils). The PLA polymer can also be spun into fibers and used in apparel, fiberfill (pillows, comforters), carpet, and nonwoven applications such as wipes."},"Vapor Pressure":{Value:"0.0813 mm Hg at 25 °C"},Viscosity:{Value:"Viscosities of aqueous lactic acid at 25 °C: 1.042 mPa s (6.29 wt%), 1.752 mPa s (25.02 wt%), 4.68 mPa s (54.94 wt%), 36.9 mPa s (88.60 wt%)"}},ReducedFormula:"-1C3H5O3"},91458:{PUBCHEM:{CID:"91458","Compound Complexity":507,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":6,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Markup":"(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Preferred":"(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Systematic":"(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-7-(hydroxymethyl)-5-oxidanyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Traditional":"(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",InChIKey:"RJWJHRPNHPHBRN-FKVJWERZSA-N","Log P":-3,"Exact Mass":346.12638229,"Molecular Formula":"C15H22O9","Molecular Weight":346.33,"Monoisotopic Mass":346.12638229,Charge:0,"Easy Name":"Aucubin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C15H22O9"},91460:{PUBCHEM:{CID:"91460","Compound Complexity":231,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid","IUPAC Name CAS-like Style":"(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid","IUPAC Name Markup":"(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid","IUPAC Name Preferred":"(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid","IUPAC Name Systematic":"(1R,2R,3S,5S)-8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid","IUPAC Name Traditional":"(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid",InChI:"1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1",InChIKey:"PHMBVCPLDPDESM-FKSUSPILSA-N","Log P":-1.8,"Exact Mass":185.10519335,"Molecular Formula":"C9H15NO3","Molecular Weight":185.22,"Monoisotopic Mass":185.10519335,Charge:0,"Easy Name":"Ecgonine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C9H15N1O3"},91461:{PUBCHEM:{CID:"91461","Compound Complexity":149,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol","IUPAC Name CAS-like Style":"[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol","IUPAC Name Markup":"[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol","IUPAC Name Preferred":"[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol","IUPAC Name Systematic":"[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol","IUPAC Name Traditional":"[(1R,9aR)-quinolizidin-1-yl]methanol",InChI:"1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1",InChIKey:"HDVAWXXJVMJBAR-VHSXEESVSA-N","Log P":1.2,"Exact Mass":169.14666424,"Molecular Formula":"C10H19NO","Molecular Weight":169.26,"Monoisotopic Mass":169.14666424,Charge:0,"Easy Name":" (-)-Lupinine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C10H19N1O1"},91502:{PUBCHEM:{CID:"91502","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(oxo)iron","IUPAC Name CAS-like Style":"Hydroxy(oxo)iron","IUPAC Name Markup":"Hydroxy(oxo)iron","IUPAC Name Preferred":"Hydroxy(oxo)iron","IUPAC Name Systematic":"Oxidanyl(oxidanylidene)iron","IUPAC Name Traditional":"Hydroxy(keto)iron",InChI:"1S/Fe.H2O.O/h;1H2;/q+1;;/p-1",InChIKey:"AEIXRCIKZIZYPM-UHFFFAOYSA-M","Exact Mass":88.93259,"Molecular Formula":"FeHO2","Molecular Weight":88.85,"Monoisotopic Mass":88.93259,Charge:0,"Easy Name":"Iron (III) oxide-hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Fe1H1O2"},91510:{PUBCHEM:{CID:"91510","Compound Complexity":416,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name CAS-like Style":"(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Markup":"(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Preferred":"(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Systematic":"(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Traditional":"(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-16-ol",InChI:"1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1",InChIKey:"HUKSJTUUSUGIDC-ZBEGNZNMSA-N","Log P":2.5,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":" (-)-Maackiain","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C16H12O5"},91552:{PUBCHEM:{CID:"91552","Compound Complexity":86.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-2-amino-4-sulfanyl-butanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-4-mercaptobutanoic acid","IUPAC Name Markup":"(2S)-2-amino-4-sulfanylbutanoic acid","IUPAC Name Preferred":"(2S)-2-amino-4-sulfanylbutanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-4-sulfanyl-butanoic acid","IUPAC Name Traditional":"(2S)-2-amino-4-mercapto-butyric acid",InChI:"1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",InChIKey:"FFFHZYDWPBMWHY-VKHMYHEASA-N","Log P":-3.4,"Exact Mass":135.03539971,"Molecular Formula":"C4H9NO2S","Molecular Weight":135.19,"Monoisotopic Mass":135.03539971,Charge:0,"Easy Name":"L-Homocysteine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C4H9N1O2S1"},91572:{PUBCHEM:{CID:"91572","Compound Complexity":530,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol","IUPAC Name CAS-like Style":"(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]heneicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol","IUPAC Name Markup":"(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol","IUPAC Name Preferred":"(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol","IUPAC Name Systematic":"(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol","IUPAC Name Traditional":"(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]heneicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol",InChI:"1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1",InChIKey:"LWTDZKXXJRRKDG-KXBFYZLASA-N","Log P":3.6,"Exact Mass":322.12050906,"Molecular Formula":"C20H18O4","Molecular Weight":322.4,"Monoisotopic Mass":322.12050906,Charge:0,"Easy Name":"Phaseolin","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C20H18O4"},91610:{PUBCHEM:{CID:"91610","Compound Complexity":948,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":7,"IUPAC Name Allowed":"1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea","IUPAC Name CAS-like Style":"1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea","IUPAC Name Markup":"1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea","IUPAC Name Preferred":"1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea","IUPAC Name Systematic":"1-cyclohexyl-3-[4-[2-[7-methoxy-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]phenyl]sulfonyl-urea","IUPAC Name Traditional":"1-cyclohexyl-3-[4-[2-(1,3-diketo-7-methoxy-4,4-dimethyl-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea",InChI:"1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)",InChIKey:"LLJFMFZYVVLQKT-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":527.20900697,"Molecular Formula":"C27H33N3O6S","Molecular Weight":527.6,"Monoisotopic Mass":527.20900697,Charge:0,"Easy Name":"Gliquidone","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C27H33N3O6S1"},91650:{PUBCHEM:{CID:"91650","Compound Complexity":179,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"4,6-dimethyl-N-phenyl-pyrimidin-2-amine","IUPAC Name CAS-like Style":"4,6-dimethyl-N-phenyl-2-pyrimidinamine","IUPAC Name Markup":"4,6-dimethyl-N-phenylpyrimidin-2-amine","IUPAC Name Preferred":"4,6-dimethyl-N-phenylpyrimidin-2-amine","IUPAC Name Systematic":"4,6-dimethyl-N-phenyl-pyrimidin-2-amine","IUPAC Name Traditional":"(4,6-dimethylpyrimidin-2-yl)-phenyl-amine",InChI:"1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)",InChIKey:"ZLIBICFPKPWGIZ-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":199.11094743,"Molecular Formula":"C12H13N3","Molecular Weight":199.25,"Monoisotopic Mass":199.11094743,Charge:0,"Easy Name":"Pyrimethanil","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"Colorless crystals"},Density:{Value:"1.15 g/cu cm @ 20 °C"},"Melting Point":{Value:"96.3 °C"},Solubility:{Value:"In acetone, 389 g/l @ 20 °C; ethyl acetate, 617 g/l @ 20 °C; methanol, 176 g/l @ 20 °C; methylene chloride, 1000 g/l @ 20 °C; n-hexane, 23.7 g/l @ 20 °C; toluene, 412 g/l @ 20 °C."},Uses:{Value:"Fungicide"},"Vapor Pressure":{Value:"1.65X10-5 mm Hg @ 25 °C"}},ReducedFormula:"C12H13N3"},91693:{PUBCHEM:{CID:"91693","Compound Complexity":252,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole","IUPAC Name CAS-like Style":"1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole","IUPAC Name Markup":"1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole","IUPAC Name Preferred":"1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole","IUPAC Name Systematic":"1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole","IUPAC Name Traditional":"1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole",InChI:"1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3",InChIKey:"WKBPZYKAUNRMKP-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":283.0643029,"Molecular Formula":"C13H15Cl2N3","Molecular Weight":284.18,"Monoisotopic Mass":283.0643029,Charge:0,"Easy Name":"Penconazole","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C13Cl2H15N3"},91739:{PUBCHEM:{CID:"91739","Compound Complexity":262,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3,7-dichloroquinoline-8-carboxylic acid","IUPAC Name CAS-like Style":"3,7-dichloro-8-quinolinecarboxylic acid","IUPAC Name Markup":"3,7-dichloroquinoline-8-carboxylic acid","IUPAC Name Preferred":"3,7-dichloroquinoline-8-carboxylic acid","IUPAC Name Systematic":"3,7-bis(chloranyl)quinoline-8-carboxylic acid","IUPAC Name Traditional":"3,7-dichloroquinoline-8-carboxylic acid",InChI:"1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)",InChIKey:"FFSSWMQPCJRCRV-UHFFFAOYSA-N","Log P":3,"Exact Mass":240.9697338,"Molecular Formula":"C10H5Cl2NO2","Molecular Weight":242.05,"Monoisotopic Mass":240.9697338,Charge:0,"Easy Name":"Quinclorac","Easy Category":"Insecticide"},HSDB:{"Color And Form":{Value:"White/yellow solid"},Density:{Value:"1.75"},"Melting Point":{Value:"274 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 0.065 mg/kg (pH 7, 20 °C)"},"Vapor Pressure":{Value:"3.95X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C10Cl2H5N1O2"},91750:{PUBCHEM:{CID:"91750","Compound Complexity":645,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":2,"Rotatable Bond":8,"IUPAC Name Allowed":"Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylate","IUPAC Name CAS-like Style":"5-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-methyl-4-pyrazolecarboxylic acid ethyl ester","IUPAC Name Markup":"Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate","IUPAC Name Preferred":"Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate","IUPAC Name Systematic":"Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylate","IUPAC Name Traditional":"5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid ethyl ester",InChI:"1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)",InChIKey:"BGNQYGRXEXDAIQ-UHFFFAOYSA-N","Log P":.7,"Exact Mass":414.09576812,"Molecular Formula":"C14H18N6O7S","Molecular Weight":414.4,"Monoisotopic Mass":414.09576812,Charge:0,"Easy Name":"Pyrazosulfuron-ethyl","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C14H18N6O7S1"},91753:{PUBCHEM:{CID:"91753","Compound Complexity":338,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine","IUPAC Name CAS-like Style":"2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine","IUPAC Name Markup":"2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine","IUPAC Name Preferred":"2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine","IUPAC Name Systematic":"2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine","IUPAC Name Traditional":"2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine",InChI:"1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3",InChIKey:"NHDHVHZZCFYRSB-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":321.13649348,"Molecular Formula":"C20H19NO3","Molecular Weight":321.4,"Monoisotopic Mass":321.13649348,Charge:0,"Easy Name":"Pyriproxyfen","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Color And Form":{Value:"Colorless crystals"},Density:{Value:"1.24 at 25 °C"},"Melting Point":{Value:"47 °C"},"Refractive Index":{Value:"Index of refraction = 1.5832 at 20.5 °C/D"},Solubility:{Value:"In water, 0.681 mg/L at 25 °C (est)"},Taste:{Value:"Faint odor (technical grade)"},Uses:{Value:"For pyriproxyfen (USEPA/OPP Pesticide Code: 129032) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state, and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"<9.8X10-8 mm Hg at 23 °C"}},ReducedFormula:"C20H19N1O3"},91754:{PUBCHEM:{CID:"91754","Compound Complexity":535,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloro-pyridazin-3-one","IUPAC Name CAS-like Style":"2-tert-butyl-5-[(4-tert-butylphenyl)methylthio]-4-chloro-3-pyridazinone","IUPAC Name Markup":"2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one","IUPAC Name Preferred":"2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one","IUPAC Name Systematic":"2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloranyl-pyridazin-3-one","IUPAC Name Traditional":"2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloro-pyridazin-3-one",InChI:"1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3",InChIKey:"DWFZBUWUXWZWKD-UHFFFAOYSA-N","Log P":5.2,"Exact Mass":364.1376123,"Molecular Formula":"C19H25ClN2OS","Molecular Weight":364.9,"Monoisotopic Mass":364.1376123,Charge:0,"Easy Name":"Pyridaben","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Colorless crystals"},Density:{Value:"1.2 @ 20 °C"},"Melting Point":{Value:"111-112 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In organic solvents (g/l @ 20 °C): acetone 460, ethanol 57, hexane 10, benzene 110, xylene 390, cyclohexane 320, n-octanol 63."},Uses:{Value:"For Pyridaben (USEPA/OPP Pesticide Code: 129105) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state, and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.18X10-6 mm Hg @ 20 °C"}},ReducedFormula:"C19Cl1H25N2O1S1"},91773:{PUBCHEM:{CID:"91773","Compound Complexity":479,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethyl-benzohydrazide","IUPAC Name CAS-like Style":"N-tert-butyl-N'-[(4-ethylphenyl)-oxomethyl]-3,5-dimethylbenzohydrazide","IUPAC Name Markup":"N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide","IUPAC Name Preferred":"N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide","IUPAC Name Systematic":"N-tert-butyl-N'-(4-ethylphenyl)carbonyl-3,5-dimethyl-benzohydrazide","IUPAC Name Traditional":"N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethyl-benzohydrazide",InChI:"1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)",InChIKey:"QYPNKSZPJQQLRK-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":352.21507815,"Molecular Formula":"C22H28N2O2","Molecular Weight":352.5,"Monoisotopic Mass":352.21507815,Charge:0,"Easy Name":"Tebufenozide","Easy Category":"Insecticide"},HSDB:{"Color And Form":{Value:"Off-white powder"},Density:{Value:"1.03 (20 °C, pycrometer method)"},"Melting Point":{Value:"191 °C"},Solubility:{Value:"Slightly soluble in organic solvents"},Uses:{Value:"For Tebufenozide (USEPA/OPP Pesticide Code: 129026) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.25X10-8 mm Hg @ 25 °C"}},ReducedFormula:"C22H28N2O2"},92092:{PUBCHEM:{CID:"92092","Compound Complexity":147,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one","IUPAC Name CAS-like Style":"(3S,4S,5R)-1,3,4,5,6-pentahydroxy-2-hexanone","IUPAC Name Markup":"(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one","IUPAC Name Preferred":"(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one","IUPAC Name Systematic":"(3S,4S,5R)-1,3,4,5,6-pentakis(oxidanyl)hexan-2-one","IUPAC Name Traditional":"(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1",InChIKey:"BJHIKXHVCXFQLS-PQLUHFTBSA-N","Log P":-3.2,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Keto-D-tagatose","Easy Category":"Ketohexoses"},HSDB:{"Color And Form":{Value:"Rhombohedral crystals from ethanol"},Density:{Value:"1.65 at 15 °C"},"Melting Point":{Value:"165 °C"},Solubility:{Value:"In water, 3.60X10+5 mg/L at 17 °C"},Taste:{Value:"About as sweet as sucrose"},Uses:{Value:"In manufacture of vitamin C (accounts for nearly 1000 tons of ascorbic acid produced every year). For conversion of L-sorbose to 2-keto-L-gulonic acid."},"Vapor Pressure":{Value:"5.2X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C6H12O6"},92094:{PUBCHEM:{CID:"92094","Compound Complexity":448,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol","IUPAC Name CAS-like Style":"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol","IUPAC Name Markup":"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol","IUPAC Name Preferred":"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol","IUPAC Name Systematic":"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol","IUPAC Name Traditional":"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",InChI:"1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1",InChIKey:"GZIFEOYASATJEH-VHFRWLAGSA-N","Log P":10,"Exact Mass":402.34978072,"Molecular Formula":"C27H46O2","Molecular Weight":402.7,"Monoisotopic Mass":402.34978072,Charge:0,"Easy Name":"Delta-Tocopherol","Easy Category":"Vitamin E"},HSDB:{},ReducedFormula:"C27H46O2"},92110:{PUBCHEM:{CID:"92110","Compound Complexity":760,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(1R)-1,5-dimethylhex-4-enyl]-7,7,12,16-tetramethyl-pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol","IUPAC Name CAS-like Style":"(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanol","IUPAC Name Markup":"(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol","IUPAC Name Preferred":"(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol","IUPAC Name Systematic":"(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol","IUPAC Name Traditional":"(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(1R)-1,5-dimethylhex-4-enyl]-7,7,12,16-tetramethyl-pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol",InChI:"1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1",InChIKey:"ONQRKEUAIJMULO-YBXTVTTCSA-N","Log P":9.8,"Exact Mass":426.38616623,"Molecular Formula":"C30H50O","Molecular Weight":426.7,"Monoisotopic Mass":426.38616623,Charge:0,"Easy Name":"Cycloartenol","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H50O1"},92126:{PUBCHEM:{CID:"92126","Compound Complexity":224,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid","IUPAC Name CAS-like Style":"3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid","IUPAC Name Markup":"3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid","IUPAC Name Preferred":"3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid","IUPAC Name Systematic":"3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoic acid","IUPAC Name Traditional":"Isoferulic acid",InChI:"1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",InChIKey:"QURCVMIEKCOAJU-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":194.0579088,"Molecular Formula":"C10H10O4","Molecular Weight":194.18,"Monoisotopic Mass":194.0579088,Charge:0,"Easy Name":"3- (3-Hydroxy-4-methoxyphenyl)acrylic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C10H10O4"},92135:{PUBCHEM:{CID:"92135","Compound Complexity":69.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(3R)-3-hydroxybutanoic acid","IUPAC Name CAS-like Style":"(3R)-3-hydroxybutanoic acid","IUPAC Name Markup":"(3R)-3-hydroxybutanoic acid","IUPAC Name Preferred":"(3R)-3-hydroxybutanoic acid","IUPAC Name Systematic":"(3R)-3-oxidanylbutanoic acid","IUPAC Name Traditional":"(3R)-3-hydroxybutyric acid",InChI:"1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1",InChIKey:"WHBMMWSBFZVSSR-GSVOUGTGSA-N","Log P":-.5,"Exact Mass":104.047344117,"Molecular Formula":"C4H8O3","Molecular Weight":104.1,"Monoisotopic Mass":104.047344117,Charge:0,"Easy Name":" (R)-3-Hydroxybutyric acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C4H8O3"},92196:{PUBCHEM:{CID:"92196","Compound Complexity":209,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"4-methyl-5-phenyl-4,5-dihydrooxazol-2-amine","IUPAC Name CAS-like Style":"4-methyl-5-phenyl-4,5-dihydrooxazol-2-amine","IUPAC Name Markup":"4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine","IUPAC Name Preferred":"4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine","IUPAC Name Systematic":"4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine","IUPAC Name Traditional":"(4-methyl-5-phenyl-2-oxazolin-2-yl)amine",InChI:"1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)",InChIKey:"LJQBMYDFWFGESC-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":176.09496302,"Molecular Formula":"C10H12N2O","Molecular Weight":176.21,"Monoisotopic Mass":176.09496302,Charge:0,"Easy Name":"4-Methylaminorex","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C10H12N2O1"},92267:{PUBCHEM:{CID:"92267","Compound Complexity":413,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one","IUPAC Name CAS-like Style":"(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c][2]benzopyran-5-one","IUPAC Name Markup":"(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one","IUPAC Name Preferred":"(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one","IUPAC Name Systematic":"(2S,3aR,9bR)-7,8-dimethoxy-6-oxidanyl-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one","IUPAC Name Traditional":"(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofur[3,2-c]isochromen-5-one",InChI:"1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1",InChIKey:"VAYQNUBOZLPGDH-OLXJLDBKSA-N","Log P":2.9,"Exact Mass":308.12598836,"Molecular Formula":"C16H20O6","Molecular Weight":308.33,"Monoisotopic Mass":308.12598836,Charge:0,"Easy Name":"Monocerin","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C16H20O6"},92723:{PUBCHEM:{CID:"92723","Compound Complexity":82.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,2,3,3-tetramethylpentane","IUPAC Name CAS-like Style":"2,2,3,3-tetramethylpentane","IUPAC Name Markup":"2,2,3,3-tetramethylpentane","IUPAC Name Preferred":"2,2,3,3-tetramethylpentane","IUPAC Name Systematic":"2,2,3,3-tetramethylpentane","IUPAC Name Traditional":"2,2,3,3-tetramethylpentane",InChI:"1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3",InChIKey:"QUKOJKFJIHSBKV-UHFFFAOYSA-N","Log P":4.2,"Exact Mass":128.15650064,"Molecular Formula":"C9H20","Molecular Weight":128.25,"Monoisotopic Mass":128.15650064,Charge:0,"Easy Name":"2, 2, 3, 3-tetramethylpentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C9H20"},92769:{PUBCHEM:{CID:"92769","Compound Complexity":356,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol","IUPAC Name Markup":"(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol","IUPAC Name Traditional":"(3R,4S,5S,6R)-2-(1H-indol-3-yloxy)-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14?/m1/s1",InChIKey:"XVARCVCWNFACQC-RQICVUQASA-N","Log P":-.1,"Exact Mass":295.10558727,"Molecular Formula":"C14H17NO6","Molecular Weight":295.29,"Monoisotopic Mass":295.10558727,Charge:0,"Easy Name":"Indican","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C14H17N1O6"},92779:{PUBCHEM:{CID:"92779","Compound Complexity":98.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"2-hydroxy-4-methyl-pentanoic acid","IUPAC Name CAS-like Style":"2-hydroxy-4-methylpentanoic acid","IUPAC Name Markup":"2-hydroxy-4-methylpentanoic acid","IUPAC Name Preferred":"2-hydroxy-4-methylpentanoic acid","IUPAC Name Systematic":"4-methyl-2-oxidanyl-pentanoic acid","IUPAC Name Traditional":"2-hydroxy-4-methyl-valeric acid",InChI:"1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)",InChIKey:"LVRFTAZAXQPQHI-UHFFFAOYSA-N","Log P":.9,"Exact Mass":132.07864425,"Molecular Formula":"C6H12O3","Molecular Weight":132.16,"Monoisotopic Mass":132.07864425,Charge:0,"Easy Name":"DL-Leucic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C6H12O3"},92794:{PUBCHEM:{CID:"92794","Compound Complexity":623,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":6,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one","IUPAC Name CAS-like Style":"(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"(2S)-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one",InChI:"1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",InChIKey:"DLIKSSGEMUFQOK-SFTVRKLSSA-N","Log P":.6,"Exact Mass":434.12129691,"Molecular Formula":"C21H22O10","Molecular Weight":434.4,"Monoisotopic Mass":434.12129691,Charge:0,"Easy Name":"Prunin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C21H22O10"},92796:{PUBCHEM:{CID:"92796","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disilver;carbonate","IUPAC Name CAS-like Style":"Disilver;carbonate","IUPAC Name Markup":"Disilver;carbonate","IUPAC Name Preferred":"Disilver;carbonate","IUPAC Name Systematic":"Disilver;carbonate","IUPAC Name Traditional":"Disilver;carbonate",InChI:"1S/CH2O3.2Ag/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",InChIKey:"KQTXIZHBFFWWFW-UHFFFAOYSA-L","Exact Mass":275.79459,"Molecular Formula":"CAg2O3","Molecular Weight":275.745,"Monoisotopic Mass":273.79493,Charge:0,"Easy Name":"Silver carbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag2C1O3"},92803:{PUBCHEM:{CID:"92803","Compound Complexity":542,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1",InChIKey:"RPKLZQLYODPWTM-LVVAJZGHSA-N","Log P":8,"Exact Mass":360.30283053,"Molecular Formula":"C24H40O2","Molecular Weight":360.6,"Monoisotopic Mass":360.30283053,Charge:0,"Easy Name":"Ursocholanic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O2"},92805:{PUBCHEM:{CID:"92805","Compound Complexity":637,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6,7-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1",InChIKey:"DKPMWHFRUGMUKF-KWXDGCAGSA-N","Log P":3.9,"Exact Mass":408.28757439,"Molecular Formula":"C24H40O5","Molecular Weight":408.6,"Monoisotopic Mass":408.28757439,Charge:0,"Easy Name":"Hyocholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O5"},92809:{PUBCHEM:{CID:"92809","Compound Complexity":317,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"Octadec-11-en-9-ynoic acid","IUPAC Name CAS-like Style":"Octadec-11-en-9-ynoic acid","IUPAC Name Markup":"Octadec-11-en-9-ynoic acid","IUPAC Name Preferred":"Octadec-11-en-9-ynoic acid","IUPAC Name Systematic":"Octadec-11-en-9-ynoic acid","IUPAC Name Traditional":"Octadec-11-en-9-ynoic acid",InChI:"1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)",InChIKey:"VENIIVIRETXKSV-UHFFFAOYSA-N","Log P":6.6,"Exact Mass":278.22458021,"Molecular Formula":"C18H30O2","Molecular Weight":278.4,"Monoisotopic Mass":278.22458021,Charge:0,"Easy Name":"Octadec-11-en-9-ynoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H30O2"},92824:{PUBCHEM:{CID:"92824","Compound Complexity":129,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R)-2-hydroxybutanedioic acid","IUPAC Name CAS-like Style":"(2R)-2-hydroxybutanedioic acid","IUPAC Name Markup":"(2R)-2-hydroxybutanedioic acid","IUPAC Name Preferred":"(2R)-2-hydroxybutanedioic acid","IUPAC Name Systematic":"(2R)-2-oxidanylbutanedioic acid","IUPAC Name Traditional":"(2R)-2-hydroxysuccinic acid",InChI:"1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1",InChIKey:"BJEPYKJPYRNKOW-UWTATZPHSA-N","Log P":-1.3,"Exact Mass":134.02152329,"Molecular Formula":"C4H6O5","Molecular Weight":134.09,"Monoisotopic Mass":134.02152329,Charge:0,"Easy Name":"D-Malic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C4H6O5"},92826:{PUBCHEM:{CID:"92826","Compound Complexity":977,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":6,"Rotatable Bond":3,"IUPAC Name Allowed":"(9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name CAS-like Style":"(9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name Markup":"(9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name Preferred":"(9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name Systematic":"(9R)-9-[(9R)-2-carboxy-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracene-2-carboxylic acid","IUPAC Name Traditional":"(9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-keto-9H-anthracen-9-yl]-4,5-dihydroxy-10-keto-9H-anthracene-2-carboxylic acid",InChI:"1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22-/m1/s1",InChIKey:"JPMRHWLJLNKRTJ-FGZHOGPDSA-N","Log P":4.8,"Exact Mass":538.08999678,"Molecular Formula":"C30H18O10","Molecular Weight":538.5,"Monoisotopic Mass":538.08999678,Charge:0,"Easy Name":"Sennidin A","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C30H18O10"},92851:{PUBCHEM:{CID:"92851","Compound Complexity":75.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S)-2-amino-3-sulfanyl-propanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-3-mercaptopropanoic acid","IUPAC Name Markup":"(2S)-2-amino-3-sulfanylpropanoic acid","IUPAC Name Preferred":"(2S)-2-amino-3-sulfanylpropanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-3-sulfanyl-propanoic acid","IUPAC Name Traditional":"(2S)-2-amino-3-mercapto-propionic acid",InChI:"1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",InChIKey:"XUJNEKJLAYXESH-UWTATZPHSA-N","Log P":-2.5,"Exact Mass":121.01974964,"Molecular Formula":"C3H7NO2S","Molecular Weight":121.16,"Monoisotopic Mass":121.01974964,Charge:0,"Easy Name":"D-Cysteine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C3H7N1O2S1"},92925:{PUBCHEM:{CID:"92925","Compound Complexity":235,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"2-amino-2-(2-oxo-3H-oxazol-5-yl)acetic acid","IUPAC Name CAS-like Style":"2-amino-2-(2-oxo-3H-oxazol-5-yl)acetic acid","IUPAC Name Markup":"2-amino-2-(2-oxo-3H-1,3-oxazol-5-yl)acetic acid","IUPAC Name Preferred":"2-amino-2-(2-oxo-3H-1,3-oxazol-5-yl)acetic acid","IUPAC Name Systematic":"2-azanyl-2-(2-oxidanylidene-3H-1,3-oxazol-5-yl)ethanoic acid","IUPAC Name Traditional":"2-amino-2-(2-keto-4-oxazolin-5-yl)acetic acid",InChI:"1S/C5H6N2O4/c6-3(4(8)9)2-1-7-5(10)11-2/h1,3H,6H2,(H,7,10)(H,8,9)",InChIKey:"ASBGWPLVVIASBE-UHFFFAOYSA-N","Log P":-3.9,"Exact Mass":158.032756681,"Molecular Formula":"C5H6N2O4","Molecular Weight":158.11,"Monoisotopic Mass":158.032756681,Charge:0,"Easy Name":"Muscazone","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C5H6N2O4"},92934:{PUBCHEM:{CID:"92934","Compound Complexity":391,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid","IUPAC Name CAS-like Style":"(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid","IUPAC Name Markup":"(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid","IUPAC Name Preferred":"(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid","IUPAC Name Systematic":"(4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid","IUPAC Name Traditional":"(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-2-thiazoline-4-carboxylic acid",InChI:"1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1",InChIKey:"BJGNCJDXODQBOB-SSDOTTSWSA-N","Log P":2.2,"Exact Mass":279.99763447,"Molecular Formula":"C11H8N2O3S2","Molecular Weight":280.3,"Monoisotopic Mass":279.99763447,Charge:0,"Easy Name":"D- (-)-Luciferin","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C11H8N2O3S2"},93e3:{PUBCHEM:{CID:"93000","Compound Complexity":37.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Pentane-1,2-diol","IUPAC Name CAS-like Style":"Pentane-1,2-diol","IUPAC Name Markup":"Pentane-1,2-diol","IUPAC Name Preferred":"Pentane-1,2-diol","IUPAC Name Systematic":"Pentane-1,2-diol","IUPAC Name Traditional":"Pentane-1,2-diol",InChI:"1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3",InChIKey:"WCVRQHFDJLLWFE-UHFFFAOYSA-N","Log P":.2,"Exact Mass":104.08372963,"Molecular Formula":"C5H12O2","Molecular Weight":104.15,"Monoisotopic Mass":104.08372963,Charge:0,"Easy Name":"Pentane-1, 2-diol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O2"},93017:{PUBCHEM:{CID:"93017","Compound Complexity":407,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid","IUPAC Name CAS-like Style":"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid","IUPAC Name Markup":"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid","IUPAC Name Preferred":"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid","IUPAC Name Systematic":"(1S,4aS,10aR)-1,4a-dimethyl-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid","IUPAC Name Traditional":"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",InChI:"1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1",InChIKey:"VJILEYKNALCDDV-OIISXLGYSA-N","Log P":4.1,"Exact Mass":274.15689457,"Molecular Formula":"C17H22O3","Molecular Weight":274.35,"Monoisotopic Mass":274.15689457,Charge:0,"Easy Name":"Podocarpic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C17H22O3"},93077:{PUBCHEM:{CID:"93077","Compound Complexity":301,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"Octadeca-9,11,13-trienoic acid","IUPAC Name CAS-like Style":"Octadeca-9,11,13-trienoic acid","IUPAC Name Markup":"Octadeca-9,11,13-trienoic acid","IUPAC Name Preferred":"Octadeca-9,11,13-trienoic acid","IUPAC Name Systematic":"Octadeca-9,11,13-trienoic acid","IUPAC Name Traditional":"Octadeca-9,11,13-trienoic acid",InChI:"1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)",InChIKey:"CUXYLFPMQMFGPL-UHFFFAOYSA-N","Log P":6.4,"Exact Mass":278.22458021,"Molecular Formula":"C18H30O2","Molecular Weight":278.4,"Monoisotopic Mass":278.22458021,Charge:0,"Easy Name":"Elaeostearic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H30O2"},93091:{PUBCHEM:{CID:"93091","Compound Complexity":10,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitridotitanium","IUPAC Name CAS-like Style":"Nitrilotitanium","IUPAC Name Markup":"Azanylidynetitanium","IUPAC Name Preferred":"Azanylidynetitanium","IUPAC Name Systematic":"Azanylidynetitanium","IUPAC Name Traditional":"Nitrilotitanium",InChI:"1S/N.Ti",InChIKey:"NRTOMJZYCJJWKI-UHFFFAOYSA-N","Exact Mass":61.951015,"Molecular Formula":"NTi","Molecular Weight":61.87,"Monoisotopic Mass":61.951015,Charge:0,"Easy Name":"Titanium nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"N1Ti1"},93093:{PUBCHEM:{CID:"93093","Compound Complexity":34.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"4-hydroxybutanal","IUPAC Name CAS-like Style":"4-hydroxybutanal","IUPAC Name Markup":"4-hydroxybutanal","IUPAC Name Preferred":"4-hydroxybutanal","IUPAC Name Systematic":"4-oxidanylbutanal","IUPAC Name Traditional":"4-hydroxybutyraldehyde",InChI:"1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",InChIKey:"PIAOXUVIBAKVSP-UHFFFAOYSA-N","Log P":-.7,"Exact Mass":88.052429497,"Molecular Formula":"C4H8O2","Molecular Weight":88.11,"Monoisotopic Mass":88.052429497,Charge:0,"Easy Name":"4-Hydroxybutanal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C4H8O2"},93160:{PUBCHEM:{CID:"93160","Compound Complexity":131,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4,7,10,13,16,19-heptaoxacyclohenicosane","IUPAC Name CAS-like Style":"1,4,7,10,13,16,19-heptaoxacycloheneicosane","IUPAC Name Markup":"1,4,7,10,13,16,19-heptaoxacyclohenicosane","IUPAC Name Preferred":"1,4,7,10,13,16,19-heptaoxacyclohenicosane","IUPAC Name Systematic":"1,4,7,10,13,16,19-heptaoxacyclohenicosane","IUPAC Name Traditional":"1,4,7,10,13,16,19-heptaoxacycloheneicosane",InChI:"1S/C14H28O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15-1/h1-14H2",InChIKey:"XKEHLMZHBXCJGZ-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":308.18350324,"Molecular Formula":"C14H28O7","Molecular Weight":308.37,"Monoisotopic Mass":308.18350324,Charge:0,"Easy Name":"1, 4, 7, 10, 13, 16, 19-Heptaoxacyclohenicosane","Easy Category":"Crown ether"},HSDB:{},ReducedFormula:"C14H28O7"},94143:{PUBCHEM:{CID:"94143","Compound Complexity":189,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde","IUPAC Name CAS-like Style":"2,6,6-trimethyl-1-cyclohex-2-enecarboxaldehyde","IUPAC Name Markup":"2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde","IUPAC Name Preferred":"2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde","IUPAC Name Systematic":"2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde","IUPAC Name Traditional":"2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde",InChI:"1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3",InChIKey:"ZVZRJSHOOULAGB-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":"Alpha-cyclociral","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C10H16O1"},94146:{PUBCHEM:{CID:"94146","Compound Complexity":249,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"4-hydroxy-2,5-dioxo-imidazolidine-4-carboxylic acid","IUPAC Name CAS-like Style":"4-hydroxy-2,5-dioxo-4-imidazolidinecarboxylic acid","IUPAC Name Markup":"4-hydroxy-2,5-dioxoimidazolidine-4-carboxylic acid","IUPAC Name Preferred":"4-hydroxy-2,5-dioxoimidazolidine-4-carboxylic acid","IUPAC Name Systematic":"4-oxidanyl-2,5-bis(oxidanylidene)imidazolidine-4-carboxylic acid","IUPAC Name Traditional":"4-hydroxy-2,5-diketo-imidazolidine-4-carboxylic acid",InChI:"1S/C4H4N2O5/c7-1-4(11,2(8)9)6-3(10)5-1/h11H,(H,8,9)(H2,5,6,7,10)",InChIKey:"BXTYRIKKNHXERN-UHFFFAOYSA-N","Log P":-1.5,"Exact Mass":160.01202124,"Molecular Formula":"C4H4N2O5","Molecular Weight":160.09,"Monoisotopic Mass":160.01202124,Charge:0,"Easy Name":"Alloxanic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H4N2O5"},94156:{PUBCHEM:{CID:"94156","Compound Complexity":220,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-phenylchromane","IUPAC Name CAS-like Style":"2-phenyl-3,4-dihydro-2H-1-benzopyran","IUPAC Name Markup":"2-phenyl-3,4-dihydro-2H-chromene","IUPAC Name Preferred":"2-phenyl-3,4-dihydro-2H-chromene","IUPAC Name Systematic":"2-phenyl-3,4-dihydro-2H-chromene","IUPAC Name Traditional":"Flavan",InChI:"1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2",InChIKey:"QOLIPNRNLBQTAU-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":210.10446507,"Molecular Formula":"C15H14O","Molecular Weight":210.27,"Monoisotopic Mass":210.10446507,Charge:0,"Easy Name":"Flavan","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H14O1"},94159:{PUBCHEM:{CID:"94159","Compound Complexity":258,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":17,"IUPAC Name Allowed":"Icos-9-enoic acid","IUPAC Name CAS-like Style":"9-eicosenoic acid","IUPAC Name Markup":"Icos-9-enoic acid","IUPAC Name Preferred":"Icos-9-enoic acid","IUPAC Name Systematic":"Icos-9-enoic acid","IUPAC Name Traditional":"Eicos-9-enoic acid",InChI:"1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)",InChIKey:"LQJBNNIYVWPHFW-UHFFFAOYSA-N","Log P":7.6,"Exact Mass":310.28718046,"Molecular Formula":"C20H38O2","Molecular Weight":310.5,"Monoisotopic Mass":310.28718046,Charge:0,"Easy Name":"Icos-9-enoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C20H38O2"},94270:{PUBCHEM:{CID:"94270","Compound Complexity":126,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name CAS-like Style":"(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name Markup":"(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name Preferred":"(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name Systematic":"(2R,3S,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal",InChI:"1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m1/s1",InChIKey:"PNNNRSAQSRJVSB-DPYQTVNSSA-N","Log P":-2.4,"Exact Mass":164.06847348,"Molecular Formula":"C6H12O5","Molecular Weight":164.16,"Monoisotopic Mass":164.06847348,Charge:0,"Easy Name":"D-Fucose","Easy Category":"Monosaccharide"},HSDB:{},ReducedFormula:"C6H12O5"},94318:{PUBCHEM:{CID:"94318","Compound Complexity":69.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(3S)-3-hydroxybutanoic acid","IUPAC Name CAS-like Style":"(3S)-3-hydroxybutanoic acid","IUPAC Name Markup":"(3S)-3-hydroxybutanoic acid","IUPAC Name Preferred":"(3S)-3-hydroxybutanoic acid","IUPAC Name Systematic":"(3S)-3-oxidanylbutanoic acid","IUPAC Name Traditional":"(3S)-3-hydroxybutyric acid",InChI:"1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1",InChIKey:"WHBMMWSBFZVSSR-VKHMYHEASA-N","Log P":-.5,"Exact Mass":104.047344117,"Molecular Formula":"C4H8O3","Molecular Weight":104.1,"Monoisotopic Mass":104.047344117,Charge:0,"Easy Name":" (S)-3-Hydroxybutyric acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C4H8O3"},94485:{PUBCHEM:{CID:"94485","Compound Complexity":406,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":32,"IUPAC Name Allowed":"Tetratriacontanoic acid","IUPAC Name CAS-like Style":"Tetratriacontanoic acid","IUPAC Name Markup":"Tetratriacontanoic acid","IUPAC Name Preferred":"Tetratriacontanoic acid","IUPAC Name Systematic":"Tetratriacontanoic acid","IUPAC Name Traditional":"Geddic acid",InChI:"1S/C34H68O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h2-33H2,1H3,(H,35,36)",InChIKey:"UTGPYHWDXYRYGT-UHFFFAOYSA-N","Log P":16.1,"Exact Mass":508.52193143,"Molecular Formula":"C34H68O2","Molecular Weight":508.9,"Monoisotopic Mass":508.52193143,Charge:0,"Easy Name":"Tetratriacontanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C34H68O2"},94780:{PUBCHEM:{CID:"94780","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6-/m1/s1",InChIKey:"GZCGUPFRVQAUEE-ARQDHWQXSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"D-Altrose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},95259:{PUBCHEM:{CID:"95259","Compound Complexity":104,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3R,4S)-2,3,4,5-tetrahydroxypentanal","IUPAC Name CAS-like Style":"(2S,3R,4S)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Markup":"(2S,3R,4S)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Preferred":"(2S,3R,4S)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Systematic":"(2S,3R,4S)-2,3,4,5-tetrakis(oxidanyl)pentanal","IUPAC Name Traditional":"(2S,3R,4S)-2,3,4,5-tetrahydroxyvaleraldehyde",InChI:"1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m1/s1",InChIKey:"PYMYPHUHKUWMLA-WISUUJSJSA-N","Log P":-2.3,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"L-Xylose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},95315:{PUBCHEM:{CID:"95315","Compound Complexity":88.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"3-methylhexanoic acid","IUPAC Name CAS-like Style":"3-methylhexanoic acid","IUPAC Name Markup":"3-methylhexanoic acid","IUPAC Name Preferred":"3-methylhexanoic acid","IUPAC Name Systematic":"3-methylhexanoic acid","IUPAC Name Traditional":"3-methylhexanoic acid",InChI:"1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",InChIKey:"NZQMQVJXSRMTCJ-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":130.09937969,"Molecular Formula":"C7H14O2","Molecular Weight":130.18,"Monoisotopic Mass":130.09937969,Charge:0,"Easy Name":"3-Methylhexanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H14O2"},95386:{PUBCHEM:{CID:"95386","Compound Complexity":94,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2,3-dibromobutanoic acid","IUPAC Name CAS-like Style":"2,3-dibromobutanoic acid","IUPAC Name Markup":"2,3-dibromobutanoic acid","IUPAC Name Preferred":"2,3-dibromobutanoic acid","IUPAC Name Systematic":"2,3-bis(bromanyl)butanoic acid","IUPAC Name Traditional":"2,3-dibromobutyric acid",InChI:"1S/C4H6Br2O2/c1-2(5)3(6)4(7)8/h2-3H,1H3,(H,7,8)",InChIKey:"HESQKTULJLBDRF-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":245.87141,"Molecular Formula":"C4H6Br2O2","Molecular Weight":245.9,"Monoisotopic Mass":243.87345,Charge:0,"Easy Name":"2, 3-Dibromobutyric acid","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C4H6O2"},95447:{PUBCHEM:{CID:"95447","Compound Complexity":171,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"1,2-diphenylethane-1,2-diol","IUPAC Name CAS-like Style":"1,2-diphenylethane-1,2-diol","IUPAC Name Markup":"1,2-diphenylethane-1,2-diol","IUPAC Name Preferred":"1,2-diphenylethane-1,2-diol","IUPAC Name Systematic":"1,2-diphenylethane-1,2-diol","IUPAC Name Traditional":"1,2-diphenylethane-1,2-diol",InChI:"1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H",InChIKey:"IHPDTPWNFBQHEB-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":214.09937969,"Molecular Formula":"C14H14O2","Molecular Weight":214.26,"Monoisotopic Mass":214.09937969,Charge:0,"Easy Name":"Hydrobenzoin","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C14H14O2"},95497:{PUBCHEM:{CID:"95497","Compound Complexity":55.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclopentane-1,2-diol","IUPAC Name CAS-like Style":"Cyclopentane-1,2-diol","IUPAC Name Markup":"Cyclopentane-1,2-diol","IUPAC Name Preferred":"Cyclopentane-1,2-diol","IUPAC Name Systematic":"Cyclopentane-1,2-diol","IUPAC Name Traditional":"Cyclopentane-1,2-diol",InChI:"1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2",InChIKey:"VCVOSERVUCJNPR-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"1, 2-Cyclopentanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H10O2"},95652:{PUBCHEM:{CID:"95652","Compound Complexity":88.9,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"4-hydroxytetrahydrofuran-2-one","IUPAC Name CAS-like Style":"4-hydroxy-2-oxolanone","IUPAC Name Markup":"4-hydroxyoxolan-2-one","IUPAC Name Preferred":"4-hydroxyoxolan-2-one","IUPAC Name Systematic":"4-oxidanyloxolan-2-one","IUPAC Name Traditional":"4-hydroxytetrahydrofuran-2-one",InChI:"1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2",InChIKey:"FUDDLSHBRSNCBV-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":102.031694052,"Molecular Formula":"C4H6O3","Molecular Weight":102.09,"Monoisotopic Mass":102.031694052,Charge:0,"Easy Name":"4-Hydroxydihydro-2 (3H)-furanone","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C4H6O3"},95775:{PUBCHEM:{CID:"95775","Compound Complexity":309,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,4-dimethyl-6-oxo-pyran-3-carboxylic acid","IUPAC Name CAS-like Style":"2,4-dimethyl-6-oxo-3-pyrancarboxylic acid","IUPAC Name Markup":"2,4-dimethyl-6-oxopyran-3-carboxylic acid","IUPAC Name Preferred":"2,4-dimethyl-6-oxopyran-3-carboxylic acid","IUPAC Name Systematic":"2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylic acid","IUPAC Name Traditional":"6-keto-2,4-dimethyl-pyran-3-carboxylic acid",InChI:"1S/C8H8O4/c1-4-3-6(9)12-5(2)7(4)8(10)11/h3H,1-2H3,(H,10,11)",InChIKey:"QOADIMYPCZMZSG-UHFFFAOYSA-N","Log P":.3,"Exact Mass":168.042258736,"Molecular Formula":"C8H8O4","Molecular Weight":168.15,"Monoisotopic Mass":168.042258736,Charge:0,"Easy Name":"Isodehydroacetic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C8H8O4"},95978:{PUBCHEM:{CID:"95978","Compound Complexity":119,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Pentyl 3-methylbutanoate","IUPAC Name CAS-like Style":"3-methylbutanoic acid pentyl ester","IUPAC Name Markup":"Pentyl 3-methylbutanoate","IUPAC Name Preferred":"Pentyl 3-methylbutanoate","IUPAC Name Systematic":"Pentyl 3-methylbutanoate","IUPAC Name Traditional":"3-methylbutyric acid amyl ester",InChI:"1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3",InChIKey:"QURFFFCYNQXLCU-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":172.14632988,"Molecular Formula":"C10H20O2","Molecular Weight":172.26,"Monoisotopic Mass":172.14632988,Charge:0,"Easy Name":"Amyl isovalerate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C10H20O2"},96316:{PUBCHEM:{CID:"96316","Compound Complexity":55.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"3-methylpentane-2,4-diol","IUPAC Name CAS-like Style":"3-methylpentane-2,4-diol","IUPAC Name Markup":"3-methylpentane-2,4-diol","IUPAC Name Preferred":"3-methylpentane-2,4-diol","IUPAC Name Systematic":"3-methylpentane-2,4-diol","IUPAC Name Traditional":"3-methylpentane-2,4-diol",InChI:"1S/C6H14O2/c1-4(5(2)7)6(3)8/h4-8H,1-3H3",InChIKey:"RBQLGIKHSXQZTB-UHFFFAOYSA-N","Log P":.5,"Exact Mass":118.09937969,"Molecular Formula":"C6H14O2","Molecular Weight":118.17,"Monoisotopic Mass":118.09937969,Charge:0,"Easy Name":"3-Methyl-2, 4-pentanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C6H14O2"},97428:{PUBCHEM:{CID:"97428","Compound Complexity":26.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3,4-oxadiazole","IUPAC Name CAS-like Style":"1,3,4-oxadiazole","IUPAC Name Markup":"1,3,4-oxadiazole","IUPAC Name Preferred":"1,3,4-oxadiazole","IUPAC Name Systematic":"1,3,4-oxadiazole","IUPAC Name Traditional":"1,3,4-oxadiazole",InChI:"1S/C2H2N2O/c1-3-4-2-5-1/h1-2H",InChIKey:"FKASFBLJDCHBNZ-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":70.016712693,"Molecular Formula":"C2H2N2O","Molecular Weight":70.05,"Monoisotopic Mass":70.016712693,Charge:0,"Easy Name":"1, 3, 4-oxadiazole","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C2H2N2O1"},97492:{PUBCHEM:{CID:"97492","Compound Complexity":356,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one","IUPAC Name CAS-like Style":"7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one","IUPAC Name Markup":"7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one","IUPAC Name Preferred":"7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one","IUPAC Name Systematic":"7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one","IUPAC Name Traditional":"7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one",InChI:"1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2",InChIKey:"YQMWQSMYVPLYDI-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":248.1888634,"Molecular Formula":"C15H24N2O","Molecular Weight":248.36,"Monoisotopic Mass":248.1888634,Charge:0,"Easy Name":"Spartein-10-one","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C15H24N2O1"},98009:{PUBCHEM:{CID:"98009","Compound Complexity":79.7,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"2-hydroxypentanoic acid","IUPAC Name CAS-like Style":"2-hydroxypentanoic acid","IUPAC Name Markup":"2-hydroxypentanoic acid","IUPAC Name Preferred":"2-hydroxypentanoic acid","IUPAC Name Systematic":"2-oxidanylpentanoic acid","IUPAC Name Traditional":"2-hydroxyvaleric acid",InChI:"1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",InChIKey:"JRHWHSJDIILJAT-UHFFFAOYSA-N","Log P":.4,"Exact Mass":118.06299418,"Molecular Formula":"C5H10O3","Molecular Weight":118.13,"Monoisotopic Mass":118.06299418,Charge:0,"Easy Name":"2-hydroxypentanoic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C5H10O3"},98504:{PUBCHEM:{CID:"98504","Compound Complexity":179,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":6,"IUPAC Name Allowed":"(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]sulfanyl-propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]thio]propanoic acid","IUPAC Name Markup":"(2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylpropanoic acid","IUPAC Name Preferred":"(2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylpropanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid","IUPAC Name Traditional":"(2R)-2-amino-3-[[(2R)-2-amino-2-carboxy-ethyl]thio]propionic acid",InChI:"1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1",InChIKey:"DWPCPZJAHOETAG-IMJSIDKUSA-N","Log P":-6.3,"Exact Mass":208.05177805,"Molecular Formula":"C6H12N2O4S","Molecular Weight":208.24,"Monoisotopic Mass":208.05177805,Charge:0,"Easy Name":"L-lanthionine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C6H12N2O4S1"},98521:{PUBCHEM:{CID:"98521","Compound Complexity":636,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one","IUPAC Name CAS-like Style":"(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one","IUPAC Name Markup":"(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one","IUPAC Name Preferred":"(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one","IUPAC Name Systematic":"(8R,9S,10R,13S,14S,17S)-4-chloranyl-10,13,17-trimethyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one","IUPAC Name Traditional":"(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one",InChI:"1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1",InChIKey:"AGUNEISBPXQOPA-XMUHMHRVSA-N","Log P":4.4,"Exact Mass":334.1699578,"Molecular Formula":"C20H27ClO2","Molecular Weight":334.9,"Monoisotopic Mass":334.1699578,Charge:0,"Easy Name":"4-Chlorodehydromethyltestosterone","Easy Category":"Steroid"},HSDB:{},ReducedFormula:"C20Cl1H27O2"},98527:{PUBCHEM:{CID:"98527","Compound Complexity":168,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(4-bromo-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(4-bromo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Markup":"2-(4-bromo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-bromo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-bromanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-(4-bromo-2,5-dimethoxy-phenyl)ethylamine",InChI:"1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3",InChIKey:"YMHOBZXQZVXHBM-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":259.02079,"Molecular Formula":"C10H14BrNO2","Molecular Weight":260.13,"Monoisotopic Mass":259.02079,Charge:0,"Easy Name":"2C-B","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C10H14N1O2"},98884:{PUBCHEM:{CID:"98884","Compound Complexity":127,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon monoxide;tungsten","IUPAC Name CAS-like Style":"Carbon monoxide;tungsten","IUPAC Name Markup":"Carbon monoxide;tungsten","IUPAC Name Preferred":"Carbon monoxide;tungsten","IUPAC Name Systematic":"Carbon monoxide;tungsten","IUPAC Name Traditional":"Carbon monoxide;tungsten",InChI:"1S/6CO.W/c6*1-2;",InChIKey:"FQNHWXHRAUXLFU-UHFFFAOYSA-N","Exact Mass":351.920421,"Molecular Formula":"C6O6W","Molecular Weight":351.9,"Monoisotopic Mass":351.920421,Charge:0,"Easy Name":"Tungsten hexacarbonyl","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C6O6W1"},98885:{PUBCHEM:{CID:"98885","Compound Complexity":127,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon monoxide;molybdenum","IUPAC Name CAS-like Style":"Carbon monoxide;molybdenum","IUPAC Name Markup":"Carbon monoxide;molybdenum","IUPAC Name Preferred":"Carbon monoxide;molybdenum","IUPAC Name Systematic":"Carbon monoxide;molybdenum","IUPAC Name Traditional":"Carbon monoxide;molybdenum",InChI:"1S/6CO.Mo/c6*1-2;",InChIKey:"KMKBZNSIJQWHJA-UHFFFAOYSA-N","Exact Mass":265.874891,"Molecular Formula":"C6MoO6","Molecular Weight":264,"Monoisotopic Mass":265.874891,Charge:0,"Easy Name":"Molybdenum hexacarbonyl","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C6Mo1O6"},99148:{PUBCHEM:{CID:"99148","Compound Complexity":547,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-1,4-benzoquinone","IUPAC Name CAS-like Style":"2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione","IUPAC Name Markup":"2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione","IUPAC Name Preferred":"2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione","IUPAC Name Systematic":"2,5-bis(4-hydroxyphenyl)-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione","IUPAC Name Traditional":"2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-p-benzoquinone",InChI:"1S/C18H12O6/c19-11-5-1-9(2-6-11)13-15(21)17(23)14(18(24)16(13)22)10-3-7-12(20)8-4-10/h1-8,19-21,24H",InChIKey:"FKQQKMGWCJGUCS-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":324.0633881,"Molecular Formula":"C18H12O6","Molecular Weight":324.3,"Monoisotopic Mass":324.0633881,Charge:0,"Easy Name":"Atromentin","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C18H12O6"},99289:{PUBCHEM:{CID:"99289","Compound Complexity":93.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,3S)-2-amino-3-hydroxy-butanoic acid","IUPAC Name CAS-like Style":"(2S,3S)-2-amino-3-hydroxybutanoic acid","IUPAC Name Markup":"(2S,3S)-2-amino-3-hydroxybutanoic acid","IUPAC Name Preferred":"(2S,3S)-2-amino-3-hydroxybutanoic acid","IUPAC Name Systematic":"(2S,3S)-2-azanyl-3-oxidanyl-butanoic acid","IUPAC Name Traditional":"(2S,3S)-2-amino-3-hydroxy-butyric acid",InChI:"1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1",InChIKey:"AYFVYJQAPQTCCC-HRFVKAFMSA-N","Log P":-2.9,"Exact Mass":119.058243153,"Molecular Formula":"C4H9NO3","Molecular Weight":119.12,"Monoisotopic Mass":119.058243153,Charge:0,"Easy Name":" (2S, 3S)-2-amino-3-hydroxybutanoic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C4H9N1O3"},99459:{PUBCHEM:{CID:"99459","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2S,3S,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6+/m1/s1",InChIKey:"GZCGUPFRVQAUEE-KAZBKCHUSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"D-Talose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},99474:{PUBCHEM:{CID:"99474","Compound Complexity":746,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-16-ol","IUPAC Name CAS-like Style":"(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-16-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-18-ene-6,2'-oxane]ol","IUPAC Name Markup":"(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol","IUPAC Name Preferred":"(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol","IUPAC Name Systematic":"(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol","IUPAC Name Traditional":"(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-18-ene-6,2'-tetrahydropyran]-16-ol",InChI:"1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",InChIKey:"WQLVFSAGQJTQCK-VKROHFNGSA-N","Log P":5.7,"Exact Mass":414.31339521,"Molecular Formula":"C27H42O3","Molecular Weight":414.6,"Monoisotopic Mass":414.31339521,Charge:0,"Easy Name":"Diosgenin","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C27H42O3"},99613:{PUBCHEM:{CID:"99613","Compound Complexity":452,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-6-methyl-benzoic acid","IUPAC Name CAS-like Style":"4-[(2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-6-methylbenzoic acid","IUPAC Name Markup":"4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid","IUPAC Name Preferred":"4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid","IUPAC Name Systematic":"2-methyl-4-[2-methyl-4,6-bis(oxidanyl)phenyl]carbonyloxy-6-oxidanyl-benzoic acid","IUPAC Name Traditional":"4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-6-methyl-benzoic acid",InChI:"1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)",InChIKey:"HEMSJKZDHNSSEW-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":318.07395279,"Molecular Formula":"C16H14O7","Molecular Weight":318.28,"Monoisotopic Mass":318.07395279,Charge:0,"Easy Name":"4-[ (2, 4-Dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C16H14O7"},99843:{PUBCHEM:{CID:"99843","Compound Complexity":220,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3,3-dimethylnorbornane-2-carboxylic acid","IUPAC Name CAS-like Style":"3,3-dimethyl-2-bicyclo[2.2.1]heptanecarboxylic acid","IUPAC Name Markup":"3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid","IUPAC Name Preferred":"3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid","IUPAC Name Systematic":"3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid","IUPAC Name Traditional":"3,3-dimethylnorbornane-2-carboxylic acid",InChI:"1S/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)",InChIKey:"KJKODDSNIDHCKV-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":168.11502976,"Molecular Formula":"C10H16O2","Molecular Weight":168.23,"Monoisotopic Mass":168.11502976,Charge:0,"Easy Name":"3, 3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O2"},99888:{PUBCHEM:{CID:"99888","Compound Complexity":55.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"5-methylhept-1-ene","IUPAC Name CAS-like Style":"5-methyl-1-heptene","IUPAC Name Markup":"5-methylhept-1-ene","IUPAC Name Preferred":"5-methylhept-1-ene","IUPAC Name Systematic":"5-methylhept-1-ene","IUPAC Name Traditional":"5-methylhept-1-ene",InChI:"1S/C8H16/c1-4-6-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3",InChIKey:"WNEYWVBECXCQRT-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"5-Methyl-1-heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},100165:{PUBCHEM:{CID:"100165","Compound Complexity":55.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclopentane-1,3-diol","IUPAC Name CAS-like Style":"Cyclopentane-1,3-diol","IUPAC Name Markup":"Cyclopentane-1,3-diol","IUPAC Name Preferred":"Cyclopentane-1,3-diol","IUPAC Name Systematic":"Cyclopentane-1,3-diol","IUPAC Name Traditional":"Cyclopentane-1,3-diol",InChI:"1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2",InChIKey:"NUUPJBRGQCEZSI-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"1, 3-Cyclopentanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H10O2"},100413:{PUBCHEM:{CID:"100413","Compound Complexity":234,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2-(4-chloro-1H-indol-3-yl)acetic acid","IUPAC Name CAS-like Style":"2-(4-chloro-1H-indol-3-yl)acetic acid","IUPAC Name Markup":"2-(4-chloro-1H-indol-3-yl)acetic acid","IUPAC Name Preferred":"2-(4-chloro-1H-indol-3-yl)acetic acid","IUPAC Name Systematic":"2-(4-chloranyl-1H-indol-3-yl)ethanoic acid","IUPAC Name Traditional":"2-(4-chloro-1H-indol-3-yl)acetic acid",InChI:"1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)",InChIKey:"WNCFBCKZRJDRKZ-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":209.0243562,"Molecular Formula":"C10H8ClNO2","Molecular Weight":209.63,"Monoisotopic Mass":209.0243562,Charge:0,"Easy Name":"4-Chloroindole-3-acetic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C10Cl1H8N1O2"},101325:{PUBCHEM:{CID:"101325","Compound Complexity":299,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Anthracene-2-carboxylic acid","IUPAC Name CAS-like Style":"2-anthracenecarboxylic acid","IUPAC Name Markup":"Anthracene-2-carboxylic acid","IUPAC Name Preferred":"Anthracene-2-carboxylic acid","IUPAC Name Systematic":"Anthracene-2-carboxylic acid","IUPAC Name Traditional":"Anthracene-2-carboxylic acid",InChI:"1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)",InChIKey:"RZRJYURCNBXIST-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":222.068079562,"Molecular Formula":"C15H10O2","Molecular Weight":222.24,"Monoisotopic Mass":222.068079562,Charge:0,"Easy Name":"Anthracene-2-carboxylic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C15H10O2"},101540:{PUBCHEM:{CID:"101540","Compound Complexity":207,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,2-dimethyl-5-oxo-tetrahydrofuran-3-carboxylic acid","IUPAC Name CAS-like Style":"2,2-dimethyl-5-oxo-3-oxolanecarboxylic acid","IUPAC Name Markup":"2,2-dimethyl-5-oxooxolane-3-carboxylic acid","IUPAC Name Preferred":"2,2-dimethyl-5-oxooxolane-3-carboxylic acid","IUPAC Name Systematic":"2,2-dimethyl-5-oxidanylidene-oxolane-3-carboxylic acid","IUPAC Name Traditional":"5-keto-2,2-dimethyl-tetrahydrofuran-3-carboxylic acid",InChI:"1S/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)",InChIKey:"UZBOWOQARWWIER-UHFFFAOYSA-N","Log P":0,"Exact Mass":158.0579088,"Molecular Formula":"C7H10O4","Molecular Weight":158.15,"Monoisotopic Mass":158.0579088,Charge:0,"Easy Name":"Terebinic Acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H10O4"},101689:{PUBCHEM:{CID:"101689","Compound Complexity":472,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name CAS-like Style":"(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name Markup":"(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name Preferred":"(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name Systematic":"(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name Traditional":"(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-1-ol",InChI:"1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1",InChIKey:"LZMRDTLRSDRUSU-SJORKVTESA-N","Log P":1.7,"Exact Mass":314.07903817,"Molecular Formula":"C17H14O6","Molecular Weight":314.29,"Monoisotopic Mass":314.07903817,Charge:0,"Easy Name":" (+)-Pisatin","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C17H14O6"},101698:{PUBCHEM:{CID:"101698","Compound Complexity":257,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"3-(1-carboxy-1-methyl-ethyl)cyclopentanecarboxylic acid","IUPAC Name CAS-like Style":"3-(2-carboxypropan-2-yl)-1-cyclopentanecarboxylic acid","IUPAC Name Markup":"3-(2-carboxypropan-2-yl)cyclopentane-1-carboxylic acid","IUPAC Name Preferred":"3-(2-carboxypropan-2-yl)cyclopentane-1-carboxylic acid","IUPAC Name Systematic":"3-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)cyclopentane-1-carboxylic acid","IUPAC Name Traditional":"3-(1-carboxy-1-methyl-ethyl)cyclopentanecarboxylic acid",InChI:"1S/C10H16O4/c1-10(2,9(13)14)7-4-3-6(5-7)8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)",InChIKey:"QSRHRQWRLFGZKS-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":200.10485899,"Molecular Formula":"C10H16O4","Molecular Weight":200.23,"Monoisotopic Mass":200.10485899,Charge:0,"Easy Name":"Camphenic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O4"},101706:{PUBCHEM:{CID:"101706","Compound Complexity":407,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"1-ethyl-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid","IUPAC Name CAS-like Style":"1-ethyl-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid","IUPAC Name Markup":"1-ethyl-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid","IUPAC Name Preferred":"1-ethyl-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid","IUPAC Name Systematic":"1-ethyl-2-methyl-7-oxidanyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid","IUPAC Name Traditional":"1-ethyl-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid",InChI:"1S/C18H24O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h5,7,10,14-16,19H,3-4,6,8-9H2,1-2H3,(H,20,21)",InChIKey:"GEGYYIFBFKSCPK-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":288.17254463,"Molecular Formula":"C18H24O3","Molecular Weight":288.4,"Monoisotopic Mass":288.17254463,Charge:0,"Easy Name":"Doisynolic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C18H24O3"},101709:{PUBCHEM:{CID:"101709","Compound Complexity":247,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid","IUPAC Name CAS-like Style":"8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid","IUPAC Name Markup":"8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid","IUPAC Name Preferred":"8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid","IUPAC Name Systematic":"8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid","IUPAC Name Traditional":"8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid",InChI:"1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)",InChIKey:"HZGRVVUQEIBCMS-UHFFFAOYSA-N","Log P":-1.5,"Exact Mass":167.09462866,"Molecular Formula":"C9H13NO2","Molecular Weight":167.2,"Monoisotopic Mass":167.09462866,Charge:0,"Easy Name":"Ecgonidine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C9H13N1O2"},101746:{PUBCHEM:{CID:"101746","Compound Complexity":544,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole","IUPAC Name CAS-like Style":"5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole","IUPAC Name Markup":"5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole","IUPAC Name Preferred":"5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole","IUPAC Name Systematic":"5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole","IUPAC Name Traditional":"5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole",InChI:"1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1",InChIKey:"ZZMNWJVJUKMZJY-AFHBHXEDSA-N","Log P":3,"Exact Mass":370.10525292,"Molecular Formula":"C20H18O7","Molecular Weight":370.4,"Monoisotopic Mass":370.10525292,Charge:0,"Easy Name":"Sesamolin","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C20H18O7"},101759:{PUBCHEM:{CID:"101759","Compound Complexity":169,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"Deca-2,4-dienoic acid","IUPAC Name CAS-like Style":"Deca-2,4-dienoic acid","IUPAC Name Markup":"Deca-2,4-dienoic acid","IUPAC Name Preferred":"Deca-2,4-dienoic acid","IUPAC Name Systematic":"Deca-2,4-dienoic acid","IUPAC Name Traditional":"Deca-2,4-dienoic acid",InChI:"1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)",InChIKey:"YKHVVNDSWHSBPA-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":168.11502976,"Molecular Formula":"C10H16O2","Molecular Weight":168.23,"Monoisotopic Mass":168.11502976,Charge:0,"Easy Name":"2, 4-Decadienoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C10H16O2"},101777:{PUBCHEM:{CID:"101777","Compound Complexity":398,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"2,4,5-triphenyl-4,5-dihydro-1H-imidazole","IUPAC Name CAS-like Style":"2,4,5-triphenyl-4,5-dihydro-1H-imidazole","IUPAC Name Markup":"2,4,5-triphenyl-4,5-dihydro-1H-imidazole","IUPAC Name Preferred":"2,4,5-triphenyl-4,5-dihydro-1H-imidazole","IUPAC Name Systematic":"2,4,5-triphenyl-4,5-dihydro-1H-imidazole","IUPAC Name Traditional":"2,4,5-triphenyl-2-imidazoline",InChI:"1S/C21H18N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15,19-20H,(H,22,23)",InChIKey:"UCCFUHZMGXEALP-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":298.14699859,"Molecular Formula":"C21H18N2","Molecular Weight":298.4,"Monoisotopic Mass":298.14699859,Charge:0,"Easy Name":"2, 4, 5-Triphenyl-4, 5-dihydro-1H-imidazole","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C21H18N2"},101798:{PUBCHEM:{CID:"101798","Compound Complexity":163,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol","IUPAC Name Markup":"(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol","IUPAC Name Traditional":"(2S,3S,4S,5S,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1",InChIKey:"HOVAGTYPODGVJG-VEIUFWFVSA-N","Log P":-2.2,"Exact Mass":194.07903817,"Molecular Formula":"C7H14O6","Molecular Weight":194.18,"Monoisotopic Mass":194.07903817,Charge:0,"Easy Name":"Methylmannoside","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C7H14O6"},102105:{PUBCHEM:{CID:"102105","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Gold;gold(1+);sulfanide","IUPAC Name CAS-like Style":"Gold;gold(1+);sulfanide","IUPAC Name Markup":"Gold;gold(1+);sulfanide","IUPAC Name Preferred":"Gold;gold(1+);sulfanide","IUPAC Name Systematic":"Gold;gold(1+);sulfanide","IUPAC Name Traditional":"Gold;gold(1+);bisulfide",InChI:"1S/2Au.H2S/h;;1H2/q;+1;/p-1",InChIKey:"NQSHARDUOZPOKY-UHFFFAOYSA-M","Exact Mass":426.91304,"Molecular Formula":"Au2HS","Molecular Weight":427.01,"Monoisotopic Mass":426.91304,Charge:0,"Easy Name":"Gold (I) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Au2H1S1"},102109:{PUBCHEM:{CID:"102109","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;sulfanide","IUPAC Name CAS-like Style":"Potassium;sulfanide","IUPAC Name Markup":"Potassium;sulfanide","IUPAC Name Preferred":"Potassium;sulfanide","IUPAC Name Systematic":"Potassium;sulfanide","IUPAC Name Traditional":"Potassium;bisulfide",InChI:"1S/K.H2S/h;1H2/q+1;/p-1",InChIKey:"ZOCLAPYLSUCOGI-UHFFFAOYSA-M","Exact Mass":71.94360269,"Molecular Formula":"HKS","Molecular Weight":72.17,"Monoisotopic Mass":71.94360269,Charge:0,"Easy Name":"Potassium hydrosulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H1K1S1"},102110:{PUBCHEM:{CID:"102110","Compound Complexity":61.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trioxorhenium","IUPAC Name CAS-like Style":"Trioxorhenium","IUPAC Name Markup":"Trioxorhenium","IUPAC Name Preferred":"Trioxorhenium","IUPAC Name Systematic":"Tris(oxidanylidene)rhenium","IUPAC Name Traditional":"Triketorhenium",InChI:"1S/3O.Re",InChIKey:"YSZJKUDBYALHQE-UHFFFAOYSA-N","Exact Mass":234.940496,"Molecular Formula":"O3Re","Molecular Weight":234.21,"Monoisotopic Mass":234.940496,Charge:0,"Easy Name":"Rhenium trioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O3Re1"},102190:{PUBCHEM:{CID:"102190","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2R,3S,4S,5S)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6-/m0/s1",InChIKey:"GZCGUPFRVQAUEE-AZGQCCRYSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"L-Altrose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},102204:{PUBCHEM:{CID:"102204","Compound Complexity":24.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;hydrogen carbonate","IUPAC Name CAS-like Style":"Magnesium;hydrogen carbonate","IUPAC Name Markup":"Magnesium;hydrogen carbonate","IUPAC Name Preferred":"Magnesium;hydrogen carbonate","IUPAC Name Systematic":"Magnesium;hydrogen carbonate","IUPAC Name Traditional":"Magnesium;dibicarbonate",InChI:"1S/2CH2O3.Mg/c2*2-1(3)4;/h2*(H2,2,3,4);/q;;+2/p-2",InChIKey:"QWDJLDTYWNBUKE-UHFFFAOYSA-L","Exact Mass":145.9701795,"Molecular Formula":"C2H2MgO6","Molecular Weight":146.34,"Monoisotopic Mass":145.9701795,Charge:0,"Easy Name":"Magnesium bicarbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C2H2Mg1O6"},102752:{PUBCHEM:{CID:"102752","Compound Complexity":57.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,3-dimethylbutanal","IUPAC Name CAS-like Style":"2,3-dimethylbutanal","IUPAC Name Markup":"2,3-dimethylbutanal","IUPAC Name Preferred":"2,3-dimethylbutanal","IUPAC Name Systematic":"2,3-dimethylbutanal","IUPAC Name Traditional":"2,3-dimethylbutyraldehyde",InChI:"1S/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3",InChIKey:"AKUUEDVRXOZTBF-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":100.08881501,"Molecular Formula":"C6H12O","Molecular Weight":100.16,"Monoisotopic Mass":100.08881501,Charge:0,"Easy Name":"2, 3-dimethylbutanal","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C6H12O1"},102804:{PUBCHEM:{CID:"102804","Compound Complexity":306,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"2,3-dimethylbutane-1,2,3-tricarboxylic acid","IUPAC Name CAS-like Style":"2,3-dimethylbutane-1,2,3-tricarboxylic acid","IUPAC Name Markup":"2,3-dimethylbutane-1,2,3-tricarboxylic acid","IUPAC Name Preferred":"2,3-dimethylbutane-1,2,3-tricarboxylic acid","IUPAC Name Systematic":"2,3-dimethylbutane-1,2,3-tricarboxylic acid","IUPAC Name Traditional":"2,3-dimethylbutane-1,2,3-tricarboxylic acid",InChI:"1S/C9H14O6/c1-8(2,6(12)13)9(3,7(14)15)4-5(10)11/h4H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)",InChIKey:"MJCJFUJXVGIUOD-UHFFFAOYSA-N","Log P":0,"Exact Mass":218.07903817,"Molecular Formula":"C9H14O6","Molecular Weight":218.2,"Monoisotopic Mass":218.07903817,Charge:0,"Easy Name":"Camphoronic Acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C9H14O6"},102832:{PUBCHEM:{CID:"102832","Compound Complexity":33.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2-dimethylcyclopropane","IUPAC Name CAS-like Style":"1,2-dimethylcyclopropane","IUPAC Name Markup":"1,2-dimethylcyclopropane","IUPAC Name Preferred":"1,2-dimethylcyclopropane","IUPAC Name Systematic":"1,2-dimethylcyclopropane","IUPAC Name Traditional":"1,2-dimethylcyclopropane",InChI:"1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3",InChIKey:"VKJLDXGFBJBTRQ-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"1, 2-dimethylcyclopropane","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C5H10"},102860:{PUBCHEM:{CID:"102860","Compound Complexity":72.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"3-bromobutanoic acid","IUPAC Name CAS-like Style":"3-bromobutanoic acid","IUPAC Name Markup":"3-bromobutanoic acid","IUPAC Name Preferred":"3-bromobutanoic acid","IUPAC Name Systematic":"3-bromanylbutanoic acid","IUPAC Name Traditional":"3-bromobutyric acid",InChI:"1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)",InChIKey:"HAIUIAZIUDPZIE-UHFFFAOYSA-N","Log P":.9,"Exact Mass":165.96294,"Molecular Formula":"C4H7BrO2","Molecular Weight":167,"Monoisotopic Mass":165.96294,Charge:0,"Easy Name":"3-bromobutanoic acid","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C4H7O2"},103002:{PUBCHEM:{CID:"103002","Compound Complexity":53.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"4-methylhex-2-ene","IUPAC Name CAS-like Style":"4-methyl-2-hexene","IUPAC Name Markup":"4-methylhex-2-ene","IUPAC Name Preferred":"4-methylhex-2-ene","IUPAC Name Systematic":"4-methylhex-2-ene","IUPAC Name Traditional":"4-methylhex-2-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h4,6-7H,5H2,1-3H3",InChIKey:"MBNDKEPQUVZHCM-UHFFFAOYSA-N","Log P":3,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"4-Methyl-2-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},103315:{PUBCHEM:{CID:"103315","Compound Complexity":660,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"3-methyl-N-[4-[4-[N-(m-tolyl)anilino]phenyl]phenyl]-N-phenyl-aniline","IUPAC Name CAS-like Style":"3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline","IUPAC Name Markup":"3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline","IUPAC Name Preferred":"3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline","IUPAC Name Systematic":"3-methyl-N-[4-[4-[(3-methylphenyl)-phenyl-amino]phenyl]phenyl]-N-phenyl-aniline","IUPAC Name Traditional":"M-tolyl-[4-[4-[N-(m-tolyl)anilino]phenyl]phenyl]-phenyl-amine",InChI:"1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3",InChIKey:"OGGKVJMNFFSDEV-UHFFFAOYSA-N","Log P":10.8,"Exact Mass":516.25654904,"Molecular Formula":"C38H32N2","Molecular Weight":516.7,"Monoisotopic Mass":516.25654904,Charge:0,"Easy Name":"N, N'-Bis (3-methylphenyl)-N, N'-diphenyl-4, 4'-biphenyldiamine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C38H32N2"},104730:{PUBCHEM:{CID:"104730","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobalt","IUPAC Name CAS-like Style":"Cobalt","IUPAC Name Markup":"Cobalt","IUPAC Name Preferred":"Cobalt","IUPAC Name Systematic":"Cobalt","IUPAC Name Traditional":"Cobalt",InChI:"1S/Co",InChIKey:"GUTLYIVDDKVIGB-UHFFFAOYSA-N","Exact Mass":58.933194,"Molecular Formula":"Co","Molecular Weight":58.93319,"Monoisotopic Mass":58.933194,Charge:0,"Easy Name":"Cobalt","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2,927 °C"},"Color And Form":{Value:"Gray metal, hexagonal or cubic"},Density:{Value:"8.9 g/cu m at 20 °C"},"Heat Of Vaporization":{Value:"6276 J/g"},"Melting Point":{Value:"1,495 °C"},Odor:{Value:"Odorless (cobalt metal dust and cobalt fumes)"},Solubility:{Value:"Soluble in dilute acids"},Uses:{Value:"Chemical (cobalt salts, oxidizing agent); electroplating ceramics; lamp filaments; catalyst (sulfur removal from petroleum, Oxo process, organic synthesis); trace element in fertilizers; glass; drier in printing inks, paints, and varnishes; color; cements. Principal use in alloys, especially cobalt steels for permanent and soft magnets and cobalt-chromium high-speed tool steels. Cemented carbides, jet engines, coordination, and complexing agent."},"Vapor Pressure":{Value:"1 Pa at 1517 °C, 10 Pa at 1687 °C, 100 Pa at 1982 °C, 1 kPa at 2150 °C"}},ReducedFormula:"Co1"},104748:{PUBCHEM:{CID:"104748","Compound Complexity":24.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrogen sulfite","IUPAC Name CAS-like Style":"Hydrogen sulfite","IUPAC Name Markup":"Hydrogen sulfite","IUPAC Name Preferred":"Hydrogen sulfite","IUPAC Name Systematic":"Hydrogen sulfite","IUPAC Name Traditional":"Bisulfite",InChI:"1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1",InChIKey:"LSNNMFCWUKXFEE-UHFFFAOYSA-M","Log P":-1,"Exact Mass":80.96464007,"Molecular Formula":"HO3S-","Molecular Weight":81.07,"Monoisotopic Mass":80.96464007,Charge:-1,"Easy Name":"Bisulfite","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1H1O3S1"},104756:{PUBCHEM:{CID:"104756","Compound Complexity":684,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]icosa-1,10,12,14(18)-tetraene-17,19-dione","IUPAC Name CAS-like Style":"(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]eicosa-1,10,12,14(18)-tetraene-17,19-dione","IUPAC Name Markup":"(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]icosa-1,10,12,14(18)-tetraene-17,19-dione","IUPAC Name Preferred":"(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]icosa-1,10,12,14(18)-tetraene-17,19-dione","IUPAC Name Systematic":"(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]icosa-1,10,12,14(18)-tetraene-17,19-dione","IUPAC Name Traditional":"(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]eicosa-1,10,12,14(18)-tetraene-17,19-quinone",InChI:"1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1",InChIKey:"KHBXRZGALJGBPA-IRWJRLHMSA-N","Log P":.8,"Exact Mass":328.05830272,"Molecular Formula":"C17H12O7","Molecular Weight":328.27,"Monoisotopic Mass":328.05830272,Charge:0,"Easy Name":"Aflatoxin B1 exo-8, 9-epoxide","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C17H12O7"},104758:{PUBCHEM:{CID:"104758","Compound Complexity":790,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":9,"IUPAC Name Allowed":"(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid","IUPAC Name CAS-like Style":"(2S)-2-[[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]-2-thiophenyl]-oxomethyl]amino]pentanedioic acid","IUPAC Name Markup":"(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid","IUPAC Name Preferred":"(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid","IUPAC Name Systematic":"(2S)-2-[[5-[methyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]thiophen-2-yl]carbonylamino]pentanedioic acid","IUPAC Name Traditional":"(2S)-2-[[5-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-methyl-amino]thiophene-2-carbonyl]amino]glutaric acid",InChI:"1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1",InChIKey:"IVTVGDXNLFLDRM-HNNXBMFYSA-N","Log P":1.4,"Exact Mass":458.12600562,"Molecular Formula":"C21H22N4O6S","Molecular Weight":458.5,"Monoisotopic Mass":458.12600562,Charge:0,"Easy Name":"Raltitrexed","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C21H22N4O6S1"},104822:{PUBCHEM:{CID:"104822","Compound Complexity":71.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4-dihydropyridine","IUPAC Name CAS-like Style":"1,4-dihydropyridine","IUPAC Name Markup":"1,4-dihydropyridine","IUPAC Name Preferred":"1,4-dihydropyridine","IUPAC Name Systematic":"1,4-dihydropyridine","IUPAC Name Traditional":"1,4-dihydropyridine",InChI:"1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2",InChIKey:"YNGDWRXWKFWCJY-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":81.05784923,"Molecular Formula":"C5H7N","Molecular Weight":81.12,"Monoisotopic Mass":81.05784923,Charge:0,"Easy Name":"Dihydropyridine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C5H7N1"},104883:{PUBCHEM:{CID:"104883","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tin(2+)","IUPAC Name CAS-like Style":"Tin(2+)","IUPAC Name Markup":"Tin(2+)","IUPAC Name Preferred":"Tin(2+)","IUPAC Name Systematic":"Tin(2+)","IUPAC Name Traditional":"Tin(2+)",InChI:"1S/Sn/q+2",InChIKey:"IUTCEZPPWBHGIX-UHFFFAOYSA-N","Exact Mass":119.902202,"Molecular Formula":"Sn+2","Molecular Weight":118.71,"Monoisotopic Mass":119.902202,Charge:2,"Easy Name":"Tin (II) ion","Easy Category":"Cation"},HSDB:{},ReducedFormula:"+2Sn1"},104926:{PUBCHEM:{CID:"104926","Compound Complexity":679,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"[cyano-(4-fluoro-3-phenoxy-phenyl)methyl] 3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylate","IUPAC Name CAS-like Style":"3-(2,2-dichloroethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [cyano-(4-fluoro-3-phenoxyphenyl)methyl] ester","IUPAC Name Markup":"[cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Preferred":"[cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Systematic":"[cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 3-[2,2-bis(chloranyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate","IUPAC Name Traditional":"3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylic acid [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] ester",InChI:"1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3",InChIKey:"QQODLKZGRKWIFG-UHFFFAOYSA-N","Log P":6.2,"Exact Mass":433.064777,"Molecular Formula":"C22H18Cl2FNO3","Molecular Weight":434.3,"Monoisotopic Mass":433.064777,Charge:0,"Easy Name":"Beta-cyfluthrin","Easy Category":"Insecticide"},HSDB:{"Color And Form":{Value:"Yellowish-brown oil"},Density:{Value:"1.34 g/cu cm at 22 °C"},"Melting Point":{Value:"60 °C"},Odor:{Value:"Aromatic solvent odor at room temp"},"Refractive Index":{Value:"Index of refraction: 1.5511 at 23 °C/D"},Solubility:{Value:">1000 g/L dichloromethane"},Uses:{Value:"For cyfluthrin (USEPA/OPP Pesticide Code: 128831) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.50X10-10 mm Hg at 20 °C"}},ReducedFormula:"C22Cl2F1H18N1O3"},104981:{PUBCHEM:{CID:"104981","Compound Complexity":555,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":7,"IUPAC Name Allowed":"3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium;diiodide","IUPAC Name CAS-like Style":"3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propyl-diethyl-methylammonium;diiodide","IUPAC Name Markup":"3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide","IUPAC Name Preferred":"3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide","IUPAC Name Systematic":"3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium;diiodide","IUPAC Name Traditional":"3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium;diiodide",InChI:"1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1",InChIKey:"XJMOSONTPMZWPB-UHFFFAOYSA-M","Exact Mass":668.08729,"Molecular Formula":"C27H34I2N4","Molecular Weight":668.4,"Monoisotopic Mass":668.08729,Charge:0,"Easy Name":"Propidium iodide","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C27H34I2N4"},105034:{PUBCHEM:{CID:"105034","Compound Complexity":27.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Isocyanate","IUPAC Name CAS-like Style":"Isocyanate","IUPAC Name Markup":"Isocyanate","IUPAC Name Preferred":"Isocyanate","IUPAC Name Systematic":"Isocyanate","IUPAC Name Traditional":"Isocyanate",InChI:"1S/CNO/c2-1-3/q-1",InChIKey:"IQPQWNKOIGAROB-UHFFFAOYSA-N","Log P":1,"Exact Mass":41.997988624,"Molecular Formula":"CNO-","Molecular Weight":42.017,"Monoisotopic Mass":41.997988624,Charge:-1,"Easy Name":"Cyanate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C1N1O1"},105052:{PUBCHEM:{CID:"105052","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;hydride","IUPAC Name CAS-like Style":"Calcium;hydride","IUPAC Name Markup":"Calcium;hydride","IUPAC Name Preferred":"Calcium;hydride","IUPAC Name Systematic":"Calcium;hydride","IUPAC Name Traditional":"Calcium;hydride",InChI:"1S/Ca.2H/q+2;2*-1",InChIKey:"UUGAXJGDKREHIO-UHFFFAOYSA-N","Exact Mass":41.9782409,"Molecular Formula":"CaH2","Molecular Weight":42.09,"Monoisotopic Mass":41.9782409,Charge:0,"Easy Name":"Calcium hydride","Easy Category":"Hydride"},HSDB:{},ReducedFormula:"Ca1H2"},105053:{PUBCHEM:{CID:"105053","Compound Complexity":3.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;triiodide","IUPAC Name CAS-like Style":"Potassium;triiodide","IUPAC Name Markup":"Potassium;triiodide","IUPAC Name Preferred":"Potassium;triiodide","IUPAC Name Systematic":"Potassium;triiodide","IUPAC Name Traditional":"Potassium;triiodide",InChI:"1S/I3.K/c1-3-2;/q-1;+1",InChIKey:"DKNPRRRKHAEUMW-UHFFFAOYSA-N","Exact Mass":419.6771,"Molecular Formula":"I3K","Molecular Weight":419.812,"Monoisotopic Mass":419.6771,Charge:0,"Easy Name":"Potassium triiodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I3K1"},105054:{PUBCHEM:{CID:"105054","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodide","IUPAC Name CAS-like Style":"Triiodide","IUPAC Name Markup":"Triiodide","IUPAC Name Preferred":"Triiodide","IUPAC Name Systematic":"Triiodide","IUPAC Name Traditional":"Triiodide",InChI:"1S/I3/c1-3-2/q-1",InChIKey:"WRTMQOHKMFDUKX-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":380.7134,"Molecular Formula":"I3-","Molecular Weight":380.7134,"Monoisotopic Mass":380.7134,Charge:-1,"Easy Name":"Triiodide","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1I3"},105362:{PUBCHEM:{CID:"105362","Compound Complexity":214,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-methylbenzenesulfonic acid","IUPAC Name CAS-like Style":"3-methylbenzenesulfonic acid","IUPAC Name Markup":"3-methylbenzenesulfonic acid","IUPAC Name Preferred":"3-methylbenzenesulfonic acid","IUPAC Name Systematic":"3-methylbenzenesulfonic acid","IUPAC Name Traditional":"3-methylbesylic acid",InChI:"1S/C7H8O3S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)",InChIKey:"JDQDSEVNMTYMOC-UHFFFAOYSA-N","Log P":1,"Exact Mass":172.01941529,"Molecular Formula":"C7H8O3S","Molecular Weight":172.2,"Monoisotopic Mass":172.01941529,Charge:0,"Easy Name":"3-methylbenzenesulfonic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C7H8O3S1"},105432:{PUBCHEM:{CID:"105432","Compound Complexity":256,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"1-(2,5-dimethoxy-4-nitro-phenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(2,5-dimethoxy-4-nitrophenyl)-2-propanamine","IUPAC Name Markup":"1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine","IUPAC Name Preferred":"1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine","IUPAC Name Systematic":"1-(2,5-dimethoxy-4-nitro-phenyl)propan-2-amine","IUPAC Name Traditional":"[2-(2,5-dimethoxy-4-nitro-phenyl)-1-methyl-ethyl]amine",InChI:"1S/C11H16N2O4/c1-7(12)4-8-5-11(17-3)9(13(14)15)6-10(8)16-2/h5-7H,4,12H2,1-3H3",InChIKey:"JQJRESSXOVAECC-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":240.111007,"Molecular Formula":"C11H16N2O4","Molecular Weight":240.26,"Monoisotopic Mass":240.111007,Charge:0,"Easy Name":"2, 5-Dimethoxy-4-nitroamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C11H16N2O4"},107526:{PUBCHEM:{CID:"107526","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1",InChIKey:"GZCGUPFRVQAUEE-SLPGGIOYSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Aldehydo-D-glucose","Easy Category":"Aldohexose"},HSDB:{"Color And Form":{Value:"Colorless crystals or white granular powder"},"Critical Temperature And Pressure":{Value:"Critical temperature: 755 deg K (est); critical pressure: 4820 kPa (est)"},Density:{Value:"1.544"},"Melting Point":{Value:"146 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH of 0.5 molar aqueous solution = 5.9 /alpha-glucose/"},Solubility:{Value:"In water, 5.46X10+5 mg/L at 30 °C, 4.79X10+5 mg/L at 20 °C"},Taste:{Value:"Sweet"},Uses:{Value:"Confectionary, infant foods, medicine, brewing and wine making, intermediate, caramel coloring, baking and canning, source of methane by anaerobic fermentation, source of certain amino acids (e.g. lysine) by fermentation."},"Vapor Pressure":{Value:"8.0X10-14 mm Hg at 25 °C /extrapolated from a higher solid-phase temperature range/"}},ReducedFormula:"C6H12O6"},107711:{PUBCHEM:{CID:"107711","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bismuth;trinitrate","IUPAC Name CAS-like Style":"Bismuth;trinitrate","IUPAC Name Markup":"Bismuth;trinitrate","IUPAC Name Preferred":"Bismuth;trinitrate","IUPAC Name Systematic":"Bismuth;trinitrate","IUPAC Name Traditional":"Bismuth;trinitrate",InChI:"1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1",InChIKey:"PPNKDDZCLDMRHS-UHFFFAOYSA-N","Exact Mass":394.94385,"Molecular Formula":"BiN3O9","Molecular Weight":395,"Monoisotopic Mass":394.94385,Charge:0,"Easy Name":"Bismuth (III) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi1N3O9"},107720:{PUBCHEM:{CID:"107720","Compound Complexity":912,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"Methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate","IUPAC Name CAS-like Style":"(4aS)-7-chloro-2-[[N-methoxycarbonyl-4-(trifluoromethoxy)anilino]-oxomethyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylic acid methyl ester","IUPAC Name Markup":"Methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate","IUPAC Name Preferred":"Methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate","IUPAC Name Systematic":"Methyl (4aS)-7-chloranyl-2-[methoxycarbonyl-[4-(trifluoromethyloxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate","IUPAC Name Traditional":"(4aS)-2-[carbomethoxy-[4-(trifluoromethoxy)phenyl]carbamoyl]-7-chloro-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylic acid methyl ester",InChI:"1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1",InChIKey:"VBCVPMMZEGZULK-NRFANRHFSA-N","Log P":4.8,"Exact Mass":527.0707121,"Molecular Formula":"C22H17ClF3N3O7","Molecular Weight":527.8,"Monoisotopic Mass":527.0707121,Charge:0,"Easy Name":"Indoxacarb","Easy Category":"Insecticide"},HSDB:{"Color And Form":{Value:"White powder"},Density:{Value:"1.44 g/cu cm at 20 °C"},"Melting Point":{Value:"88.1 °C"},Solubility:{Value:"Solubility in n-octanol 14.5 g/L, methanol 103 g/L, acetonitrile 139 g/L, acetone >250 g/kg (all at 25 °C)"},Uses:{Value:"For indoxacarb (USEPA/OPP Pesticide Code: 067710) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.9X10-10 mm Hg at 25 °C"}},ReducedFormula:"C22Cl1F3H17N3O7"},107735:{PUBCHEM:{CID:"107735","Compound Complexity":78.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2-oxopropanoate","IUPAC Name CAS-like Style":"2-oxopropanoate","IUPAC Name Markup":"2-oxopropanoate","IUPAC Name Preferred":"2-oxopropanoate","IUPAC Name Systematic":"2-oxidanylidenepropanoate","IUPAC Name Traditional":"Pyruvate",InChI:"1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1",InChIKey:"LCTONWCANYUPML-UHFFFAOYSA-M","Log P":-.6,"Exact Mass":87.008218956,"Molecular Formula":"C3H3O3-","Molecular Weight":87.05,"Monoisotopic Mass":87.008218956,Charge:-1,"Easy Name":"Pyruvate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C3H3O3"},107765:{PUBCHEM:{CID:"107765","Compound Complexity":732,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(1S,2S,6R,14R,15R,16R)-16-[(1R)-1-hydroxy-1-methyl-butyl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol","IUPAC Name CAS-like Style":"(1S,2S,6R,14R,15R,16R)-16-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]eicosa-8(20),9,11-trien-11-ol","IUPAC Name Markup":"(1S,2S,6R,14R,15R,16R)-16-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol","IUPAC Name Preferred":"(1S,2S,6R,14R,15R,16R)-16-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol","IUPAC Name Systematic":"(1S,2S,6R,14R,15R,16R)-15-methoxy-5-methyl-16-[(2R)-2-oxidanylpentan-2-yl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol","IUPAC Name Traditional":"(1S,2S,6R,14R,15R,16R)-16-[(1R)-1-hydroxy-1-methyl-butyl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]eicosa-8(20),9,11-trien-11-ol",InChI:"1S/C25H35NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1",InChIKey:"BRTSNYPDACNMIP-FAWZKKEFSA-N","Log P":3.8,"Exact Mass":413.25660861,"Molecular Formula":"C25H35NO4","Molecular Weight":413.5,"Monoisotopic Mass":413.25660861,Charge:0,"Easy Name":"Dihydroetorphine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C25H35N1O4"},107876:{PUBCHEM:{CID:"107876","Compound Complexity":957,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":10,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-chromane-3,4,5,7-tetrol","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-2-[[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-chroman-3,4,5,7-tetrol",InChI:"1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2",InChIKey:"HGVVOUNEGQIPMS-UHFFFAOYSA-N","Log P":2,"Exact Mass":594.13734089,"Molecular Formula":"C30H26O13","Molecular Weight":594.5,"Monoisotopic Mass":594.13734089,Charge:0,"Easy Name":"Procyanidin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C30H26O13"},107879:{PUBCHEM:{CID:"107879","Compound Complexity":206,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Sulfonatooxy sulfate","IUPAC Name CAS-like Style":"Sulfonatooxy sulfate","IUPAC Name Markup":"Sulfonatooxy sulfate","IUPAC Name Preferred":"Sulfonatooxy sulfate","IUPAC Name Systematic":"Sulfonatooxy sulfate","IUPAC Name Traditional":"Sulfato sulfate",InChI:"1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2",InChIKey:"JRKICGRDRMAZLK-UHFFFAOYSA-L","Log P":-1.9,"Exact Mass":191.90345931,"Molecular Formula":"O8S2-2","Molecular Weight":192.13,"Monoisotopic Mass":191.90345931,Charge:-2,"Easy Name":"Peroxydisulfate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2O8S2"},107880:{PUBCHEM:{CID:"107880","Compound Complexity":472,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(1S,12S)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name CAS-like Style":"(1S,12S)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name Markup":"(1S,12S)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name Preferred":"(1S,12S)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name Systematic":"(1S,12S)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol","IUPAC Name Traditional":"(1S,12S)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-1-ol",InChI:"1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m0/s1",InChIKey:"LZMRDTLRSDRUSU-DLBZAZTESA-N","Log P":1.7,"Exact Mass":314.07903817,"Molecular Formula":"C17H14O6","Molecular Weight":314.29,"Monoisotopic Mass":314.07903817,Charge:0,"Easy Name":" (-)-Pisatin","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C17H14O6"},107905:{PUBCHEM:{CID:"107905","Compound Complexity":649,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":7,"Rotatable Bond":4,"IUPAC Name Allowed":"[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name CAS-like Style":"3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester","IUPAC Name Markup":"[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name Preferred":"[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name Systematic":"[(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate","IUPAC Name Traditional":"3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester",InChI:"1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1",InChIKey:"LSHVYAFMTMFKBA-TZIWHRDSSA-N","Log P":1.5,"Exact Mass":442.08999678,"Molecular Formula":"C22H18O10","Molecular Weight":442.4,"Monoisotopic Mass":442.08999678,Charge:0,"Easy Name":" (-)-Epicatechin gallate","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C22H18O10"},107982:{PUBCHEM:{CID:"107982","Compound Complexity":307,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-nonanamide","IUPAC Name CAS-like Style":"N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide","IUPAC Name Markup":"N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide","IUPAC Name Preferred":"N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide","IUPAC Name Systematic":"N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-nonanamide","IUPAC Name Traditional":"8-methyl-N-vanillyl-pelargonamide",InChI:"1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)",InChIKey:"XJQPQKLURWNAAH-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":307.2147438,"Molecular Formula":"C18H29NO3","Molecular Weight":307.4,"Monoisotopic Mass":307.2147438,Charge:0,"Easy Name":"Dihydrocapsaicin","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C18H29N1O3"},108079:{PUBCHEM:{CID:"108079","Compound Complexity":250,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S)-2-amino-5-[(1-hydroxycyclopropyl)amino]-5-oxo-pentanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid","IUPAC Name Markup":"(2S)-2-amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid","IUPAC Name Preferred":"(2S)-2-amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-5-[(1-oxidanylcyclopropyl)amino]-5-oxidanylidene-pentanoic acid","IUPAC Name Traditional":"(2S)-2-amino-5-[(1-hydroxycyclopropyl)amino]-5-keto-valeric acid",InChI:"1S/C8H14N2O4/c9-5(7(12)13)1-2-6(11)10-8(14)3-4-8/h5,14H,1-4,9H2,(H,10,11)(H,12,13)/t5-/m0/s1",InChIKey:"OEEZRBUCLFMTLD-YFKPBYRVSA-N","Log P":-3.4,"Exact Mass":202.09535694,"Molecular Formula":"C8H14N2O4","Molecular Weight":202.21,"Monoisotopic Mass":202.09535694,Charge:0,"Easy Name":"L-coprine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C8H14N2O4"},108168:{PUBCHEM:{CID:"108168","Compound Complexity":505,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name CAS-like Style":"6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid","IUPAC Name Markup":"6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Preferred":"6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Systematic":"6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Traditional":"6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid",InChI:"1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)",InChIKey:"MEEXETVZNQYRSP-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":311.04298701,"Molecular Formula":"C16H9NO6","Molecular Weight":311.24,"Monoisotopic Mass":311.04298701,Charge:0,"Easy Name":"Aristolochic acid II","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C16H9N1O6"},108436:{PUBCHEM:{CID:"108436","Compound Complexity":190,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-(1-methyl-5-oxo-pyrrolidin-2-yl)acetic acid","IUPAC Name CAS-like Style":"2-(1-methyl-5-oxo-2-pyrrolidinyl)acetic acid","IUPAC Name Markup":"2-(1-methyl-5-oxopyrrolidin-2-yl)acetic acid","IUPAC Name Preferred":"2-(1-methyl-5-oxopyrrolidin-2-yl)acetic acid","IUPAC Name Systematic":"2-(1-methyl-5-oxidanylidene-pyrrolidin-2-yl)ethanoic acid","IUPAC Name Traditional":"2-(5-keto-1-methyl-pyrrolidin-2-yl)acetic acid",InChI:"1S/C7H11NO3/c1-8-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)",InChIKey:"QSTXMZUAMCBUQU-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":157.07389322,"Molecular Formula":"C7H11NO3","Molecular Weight":157.17,"Monoisotopic Mass":157.07389322,Charge:0,"Easy Name":"ERGONINIC ACID","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H11N1O3"},110680:{PUBCHEM:{CID:"110680","Compound Complexity":246,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":11,"IUPAC Name Allowed":"11-cyclopent-2-en-1-ylundecanoic acid","IUPAC Name CAS-like Style":"11-(1-cyclopent-2-enyl)undecanoic acid","IUPAC Name Markup":"11-cyclopent-2-en-1-ylundecanoic acid","IUPAC Name Preferred":"11-cyclopent-2-en-1-ylundecanoic acid","IUPAC Name Systematic":"11-cyclopent-2-en-1-ylundecanoic acid","IUPAC Name Traditional":"11-cyclopent-2-en-1-ylundecanoic acid",InChI:"1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)",InChIKey:"SRELFLQJDOTNLJ-UHFFFAOYSA-N","Log P":5.9,"Exact Mass":252.20893014,"Molecular Formula":"C16H28O2","Molecular Weight":252.39,"Monoisotopic Mass":252.20893014,Charge:0,"Easy Name":"Hydnocarpic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C16H28O2"},110918:{PUBCHEM:{CID:"110918","Compound Complexity":214,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,2,3-trimethylcyclopent-3-ene-1-carboxylic acid","IUPAC Name CAS-like Style":"2,2,3-trimethyl-1-cyclopent-3-enecarboxylic acid","IUPAC Name Markup":"2,2,3-trimethylcyclopent-3-ene-1-carboxylic acid","IUPAC Name Preferred":"2,2,3-trimethylcyclopent-3-ene-1-carboxylic acid","IUPAC Name Systematic":"2,2,3-trimethylcyclopent-3-ene-1-carboxylic acid","IUPAC Name Traditional":"2,2,3-trimethylcyclopent-3-ene-1-carboxylic acid",InChI:"1S/C9H14O2/c1-6-4-5-7(8(10)11)9(6,2)3/h4,7H,5H2,1-3H3,(H,10,11)",InChIKey:"ZRVJUIDXQSYDBJ-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":154.09937969,"Molecular Formula":"C9H14O2","Molecular Weight":154.21,"Monoisotopic Mass":154.09937969,Charge:0,"Easy Name":"A-Campholytic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C9H14O2"},110944:{PUBCHEM:{CID:"110944","Compound Complexity":58.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3-dichlorobut-1-ene","IUPAC Name CAS-like Style":"2,3-dichloro-1-butene","IUPAC Name Markup":"2,3-dichlorobut-1-ene","IUPAC Name Preferred":"2,3-dichlorobut-1-ene","IUPAC Name Systematic":"2,3-bis(chloranyl)but-1-ene","IUPAC Name Traditional":"2,3-dichlorobut-1-ene",InChI:"1S/C4H6Cl2/c1-3(5)4(2)6/h4H,1H2,2H3",InChIKey:"LKINOBKAEGPXMI-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":123.9846556,"Molecular Formula":"C4H6Cl2","Molecular Weight":124.99,"Monoisotopic Mass":123.9846556,Charge:0,"Easy Name":"2, 3-Dichlorobut-1-ene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C4Cl2H6"},111037:{PUBCHEM:{CID:"111037","Compound Complexity":251,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"[1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] acetate","IUPAC Name CAS-like Style":"Acetic acid 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl ester","IUPAC Name Markup":"2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate","IUPAC Name Preferred":"2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate","IUPAC Name Systematic":"2-(4-methylcyclohex-3-en-1-yl)propan-2-yl ethanoate","IUPAC Name Traditional":"Acetic acid [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] ester",InChI:"1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",InChIKey:"IGODOXYLBBXFDW-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":196.14632988,"Molecular Formula":"C12H20O2","Molecular Weight":196.29,"Monoisotopic Mass":196.14632988,Charge:0,"Easy Name":" (±)-α-Terpinyl acetate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C12H20O2"},111042:{PUBCHEM:{CID:"111042","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodobismuthane","IUPAC Name CAS-like Style":"Triiodobismuthine","IUPAC Name Markup":"Triiodobismuthane","IUPAC Name Preferred":"Triiodobismuthane","IUPAC Name Systematic":"Tris(iodanyl)bismuthane","IUPAC Name Traditional":"Triiodobismuthine",InChI:"1S/Bi.3HI/h;3*1H/q+3;;;/p-3",InChIKey:"KOECRLKKXSXCPB-UHFFFAOYSA-K","Exact Mass":589.6938,"Molecular Formula":"BiI3","Molecular Weight":589.6938,"Monoisotopic Mass":589.6938,Charge:0,"Easy Name":"Bismuth (III) iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi1I3"},111112:{PUBCHEM:{CID:"111112","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2R,3S,4R,5S)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6+/m0/s1",InChIKey:"GZCGUPFRVQAUEE-UNTFVMJOSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"L-Idose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},111123:{PUBCHEM:{CID:"111123","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2S,3R,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6+/m1/s1",InChIKey:"GZCGUPFRVQAUEE-ZXXMMSQZSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"D-Idose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},111317:{PUBCHEM:{CID:"111317","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2S,3S,4S,5S)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1",InChIKey:"GZCGUPFRVQAUEE-MOJAZDJTSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"L-Allose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},111328:{PUBCHEM:{CID:"111328","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetraiodotitanium","IUPAC Name CAS-like Style":"Tetraiodotitanium","IUPAC Name Markup":"Tetraiodotitanium","IUPAC Name Preferred":"Tetraiodotitanium","IUPAC Name Systematic":"Tetrakis(iodanyl)titanium","IUPAC Name Traditional":"Tetraiodotitanium",InChI:"1S/4HI.Ti/h4*1H;/q;;;;+4/p-4",InChIKey:"NLLZTRMHNHVXJJ-UHFFFAOYSA-J","Exact Mass":555.5658,"Molecular Formula":"I4Ti","Molecular Weight":555.48,"Monoisotopic Mass":555.5658,Charge:0,"Easy Name":"Titanium tetraiodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I4Ti1"},111843:{PUBCHEM:{CID:"111843","Compound Complexity":43.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"1-ethoxyhexane","IUPAC Name CAS-like Style":"1-ethoxyhexane","IUPAC Name Markup":"1-ethoxyhexane","IUPAC Name Preferred":"1-ethoxyhexane","IUPAC Name Systematic":"1-ethoxyhexane","IUPAC Name Traditional":"1-ethoxyhexane",InChI:"1S/C8H18O/c1-3-5-6-7-8-9-4-2/h3-8H2,1-2H3",InChIKey:"ZXHQLEQLZPJIFG-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":130.1357652,"Molecular Formula":"C8H18O","Molecular Weight":130.23,"Monoisotopic Mass":130.1357652,Charge:0,"Easy Name":"1-Ethoxyhexane","Easy Category":"Ether"},HSDB:{},ReducedFormula:"C8H18O1"},112918:{PUBCHEM:{CID:"112918","Compound Complexity":1200,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":6,"Rotatable Bond":16,"IUPAC Name Allowed":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-isopropyl-2-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-isopropyl-6-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name CAS-like Style":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Markup":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Preferred":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid","IUPAC Name Systematic":"2-[[3-[1-[3-[[bis(2-hydroxy-2-oxoethyl)amino]methyl]-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-2-methyl-6-oxidanyl-5-propan-2-yl-phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid","IUPAC Name Traditional":"2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-isopropyl-2-methyl-phenyl]-3-keto-phthalan-1-yl]-2-hydroxy-3-isopropyl-6-methyl-benzyl]-(carboxymethyl)amino]acetic acid",InChI:"1S/C38H44N2O12/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)",InChIKey:"AGXCADFSYJNMEG-UHFFFAOYSA-N","Log P":.3,"Exact Mass":720.28942486,"Molecular Formula":"C38H44N2O12","Molecular Weight":720.8,"Monoisotopic Mass":720.28942486,Charge:0,"Easy Name":"Thymolphthalexone","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C38H44N2O12"},114518:{PUBCHEM:{CID:"114518","Compound Complexity":333,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid","IUPAC Name CAS-like Style":"4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid","IUPAC Name Markup":"4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid","IUPAC Name Preferred":"4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid","IUPAC Name Systematic":"4,7,7-trimethyl-3-oxidanylidene-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid","IUPAC Name Traditional":"3-keto-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid",InChI:"1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)",InChIKey:"KPWKPGFLZGMMFX-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":198.08920893,"Molecular Formula":"C10H14O4","Molecular Weight":198.22,"Monoisotopic Mass":198.08920893,Charge:0,"Easy Name":" (1S)- (-)-Camphanic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H14O4"},114539:{PUBCHEM:{CID:"114539","Compound Complexity":79.7,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"4-hydroxypentanoic acid","IUPAC Name CAS-like Style":"4-hydroxypentanoic acid","IUPAC Name Markup":"4-hydroxypentanoic acid","IUPAC Name Preferred":"4-hydroxypentanoic acid","IUPAC Name Systematic":"4-oxidanylpentanoic acid","IUPAC Name Traditional":"4-hydroxyvaleric acid",InChI:"1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",InChIKey:"FMHKPLXYWVCLME-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":118.06299418,"Molecular Formula":"C5H10O3","Molecular Weight":118.13,"Monoisotopic Mass":118.06299418,Charge:0,"Easy Name":"4-hydroxypentanoic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C5H10O3"},114776:{PUBCHEM:{CID:"114776","Compound Complexity":729,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone",InChI:"1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",InChIKey:"ODBRNZZJSYPIDI-VJXVFPJBSA-N","Log P":-.2,"Exact Mass":448.10056146,"Molecular Formula":"C21H20O11","Molecular Weight":448.4,"Monoisotopic Mass":448.10056146,Charge:0,"Easy Name":"Isoorientin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C21H20O11"},114880:{PUBCHEM:{CID:"114880","Compound Complexity":554,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":7,"Rotatable Bond":16,"IUPAC Name Allowed":"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-dodecoxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-6-dodecoxy-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Markup":"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-dodecoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-dodecoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-dodecoxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Traditional":"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-lauryloxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1",InChIKey:"NLEBIOOXCVAHBD-QKMCSOCLSA-N","Log P":1.4,"Exact Mass":510.3040123,"Molecular Formula":"C24H46O11","Molecular Weight":510.6,"Monoisotopic Mass":510.3040123,Charge:0,"Easy Name":"Dodecyl-beta-D-maltoside","Easy Category":"Sugar"},HSDB:{},ReducedFormula:"C24H46O11"},114934:{PUBCHEM:{CID:"114934","Compound Complexity":36.6,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloro nitrate","IUPAC Name CAS-like Style":"Nitric acid chloro ester","IUPAC Name Markup":"Chloro nitrate","IUPAC Name Preferred":"Chloro nitrate","IUPAC Name Systematic":"Chloranyl nitrate","IUPAC Name Traditional":"Nitric acid chloro ester",InChI:"1S/ClNO3/c1-5-2(3)4",InChIKey:"XYLGPCWDPLOBGP-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":96.9566706,"Molecular Formula":"ClNO3","Molecular Weight":97.46,"Monoisotopic Mass":96.9566706,Charge:0,"Easy Name":"Chlorine nitrate","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Cl1N1O3"},115035:{PUBCHEM:{CID:"115035","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxido(oxo)silane","IUPAC Name CAS-like Style":"Dioxido(oxo)silane","IUPAC Name Markup":"Dioxido(oxo)silane","IUPAC Name Preferred":"Dioxido(oxo)silane","IUPAC Name Systematic":"Bis(oxidanidyl)-oxidanylidene-silane","IUPAC Name Traditional":"Keto(dioxido)silane",InChI:"1S/O3Si/c1-4(2)3/q-2",InChIKey:"WTOAJNCLCKBIMK-UHFFFAOYSA-N","Exact Mass":75.961670394,"Molecular Formula":"O3Si-2","Molecular Weight":76.083,"Monoisotopic Mass":75.961670394,Charge:-2,"Easy Name":"Silicate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2O3Si1"},115089:{PUBCHEM:{CID:"115089","Compound Complexity":280,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol","IUPAC Name CAS-like Style":"(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol","IUPAC Name Markup":"(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol","IUPAC Name Preferred":"(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol","IUPAC Name Systematic":"(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol","IUPAC Name Traditional":"(2R,3R)-2,3-bis(3-hydroxybenzyl)butane-1,4-diol",InChI:"1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1",InChIKey:"DWONJCNDULPHLV-HOTGVXAUSA-N","Log P":2.6,"Exact Mass":302.15180919,"Molecular Formula":"C18H22O4","Molecular Weight":302.4,"Monoisotopic Mass":302.15180919,Charge:0,"Easy Name":" (-)-Enterodiol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C18H22O4"},115128:{PUBCHEM:{CID:"115128","Compound Complexity":61.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/O3Se/c1-4(2)3",InChIKey:"VFLXBUJKRRJAKY-UHFFFAOYSA-N","Exact Mass":127.90127,"Molecular Formula":"O3Se","Molecular Weight":126.97,"Monoisotopic Mass":127.90127,Charge:0,"Easy Name":"Selenium trioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O3Se1"},115201:{PUBCHEM:{CID:"115201","Compound Complexity":470,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":6,"Rotatable Bond":18,"IUPAC Name Allowed":"N-[(1S)-2-[4-[3-(3-aminopropylamino)propylamino]butylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide","IUPAC Name CAS-like Style":"N-[(2S)-1-[4-[3-(3-aminopropylamino)propylamino]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide","IUPAC Name Markup":"N-[(2S)-1-[4-[3-(3-aminopropylamino)propylamino]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide","IUPAC Name Preferred":"N-[(2S)-1-[4-[3-(3-aminopropylamino)propylamino]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide","IUPAC Name Systematic":"N-[(2S)-1-[4-[3-(3-azanylpropylamino)propylamino]butylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide","IUPAC Name Traditional":"N-[(1S)-2-[4-[3-(3-aminopropylamino)propylamino]butylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide",InChI:"1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-4-3-13-25-15-6-16-26-14-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1",InChIKey:"VRQNABCCOFCGJL-NRFANRHFSA-N","Log P":1,"Exact Mass":435.3209402,"Molecular Formula":"C23H41N5O3","Molecular Weight":435.6,"Monoisotopic Mass":435.3209402,Charge:0,"Easy Name":"Philanthotoxin","Easy Category":"Amide"},HSDB:{},ReducedFormula:"C23H41N5O3"},115244:{PUBCHEM:{CID:"115244","Compound Complexity":148,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate","IUPAC Name CAS-like Style":"(2S)-1,1-dimethyl-2-pyrrolidin-1-iumcarboxylate","IUPAC Name Markup":"(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate","IUPAC Name Preferred":"(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate","IUPAC Name Systematic":"(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate","IUPAC Name Traditional":"(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate",InChI:"1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1",InChIKey:"CMUNUTVVOOHQPW-LURJTMIESA-N","Log P":1,"Exact Mass":143.09462866,"Molecular Formula":"C7H13NO2","Molecular Weight":143.18,"Monoisotopic Mass":143.09462866,Charge:0,"Easy Name":"L-Stachydrine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C7H13N1O2"},117235:{PUBCHEM:{CID:"117235","Compound Complexity":226,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetic acid","IUPAC Name CAS-like Style":"2-(2,2,3-trimethyl-1-cyclopent-3-enyl)acetic acid","IUPAC Name Markup":"2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetic acid","IUPAC Name Preferred":"2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetic acid","IUPAC Name Systematic":"2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanoic acid","IUPAC Name Traditional":"2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetic acid",InChI:"1S/C10H16O2/c1-7-4-5-8(6-9(11)12)10(7,2)3/h4,8H,5-6H2,1-3H3,(H,11,12)",InChIKey:"RKLDHGIEBMSKAK-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":168.11502976,"Molecular Formula":"C10H16O2","Molecular Weight":168.23,"Monoisotopic Mass":168.11502976,Charge:0,"Easy Name":"Α-Campholenic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O2"},117328:{PUBCHEM:{CID:"117328","Compound Complexity":219,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-(2,2-dimethyl-5-oxo-tetrahydrofuran-3-yl)acetic acid","IUPAC Name CAS-like Style":"2-(2,2-dimethyl-5-oxo-3-oxolanyl)acetic acid","IUPAC Name Markup":"2-(2,2-dimethyl-5-oxooxolan-3-yl)acetic acid","IUPAC Name Preferred":"2-(2,2-dimethyl-5-oxooxolan-3-yl)acetic acid","IUPAC Name Systematic":"2-(2,2-dimethyl-5-oxidanylidene-oxolan-3-yl)ethanoic acid","IUPAC Name Traditional":"2-(5-keto-2,2-dimethyl-tetrahydrofuran-3-yl)acetic acid",InChI:"1S/C8H12O4/c1-8(2)5(3-6(9)10)4-7(11)12-8/h5H,3-4H2,1-2H3,(H,9,10)",InChIKey:"NQWMPKJASNNZMJ-UHFFFAOYSA-N","Log P":.2,"Exact Mass":172.07355887,"Molecular Formula":"C8H12O4","Molecular Weight":172.18,"Monoisotopic Mass":172.07355887,Charge:0,"Easy Name":" (2, 2-Dimethyl-5-oxotetrahydro-3-furanyl)acetic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C8H12O4"},117559:{PUBCHEM:{CID:"117559","Compound Complexity":10,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitridogallane","IUPAC Name CAS-like Style":"Nitrilogallane","IUPAC Name Markup":"Azanylidynegallane","IUPAC Name Preferred":"Azanylidynegallane","IUPAC Name Systematic":"Azanylidynegallane","IUPAC Name Traditional":"Nitrilogallane",InChI:"1S/Ga.N",InChIKey:"JMASRVWKEDWRBT-UHFFFAOYSA-N","Exact Mass":82.92865,"Molecular Formula":"GaN","Molecular Weight":83.73,"Monoisotopic Mass":82.92865,Charge:0,"Easy Name":"Gallium nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"Ga1N1"},117803:{PUBCHEM:{CID:"117803","Compound Complexity":10,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Phosphanylidyneiron","IUPAC Name CAS-like Style":"Phosphinidyneiron","IUPAC Name Markup":"Phosphanylidyneiron","IUPAC Name Preferred":"Phosphanylidyneiron","IUPAC Name Systematic":"Phosphanylidyneiron","IUPAC Name Traditional":"Phosphinidyneiron",InChI:"1S/Fe.P",InChIKey:"DPTATFGPDCLUTF-UHFFFAOYSA-N","Exact Mass":86.908698,"Molecular Formula":"FeP","Molecular Weight":86.82,"Monoisotopic Mass":86.908698,Charge:0,"Easy Name":"Phosphinidyneiron","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Fe1P1"},119171:{PUBCHEM:{CID:"119171","Compound Complexity":1170,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":10,"IUPAC Name Allowed":"2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","IUPAC Name CAS-like Style":"5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-(N-(phenylmethyl)anilino)ethyl ester","IUPAC Name Markup":"2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","IUPAC Name Preferred":"2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","IUPAC Name Systematic":"2-[phenyl-(phenylmethyl)amino]ethyl 5-(5,5-dimethyl-2-oxidanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","IUPAC Name Traditional":"5-(2-keto-5,5-dimethyl-1,3,2lambda5-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-(N-benzylanilino)ethyl ester",InChI:"1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3",InChIKey:"NSVFSAJIGAJDMR-UHFFFAOYSA-N","Log P":5.9,"Exact Mass":631.24473757,"Molecular Formula":"C34H38N3O7P","Molecular Weight":631.7,"Monoisotopic Mass":631.24473757,Charge:0,"Easy Name":"Efonidipine","Easy Category":"Calcium channel blockers"},HSDB:{},ReducedFormula:"C34H38N3O7P1"},119205:{PUBCHEM:{CID:"119205","Compound Complexity":469,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"(3R,4R)-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one","IUPAC Name CAS-like Style":"(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone","IUPAC Name Markup":"(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one","IUPAC Name Preferred":"(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one","IUPAC Name Systematic":"(3R,4R)-3,4-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one","IUPAC Name Traditional":"(3R,4R)-3,4-divanillyltetrahydrofuran-2-one",InChI:"1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",InChIKey:"MATGKVZWFZHCLI-LSDHHAIUSA-N","Log P":3.3,"Exact Mass":358.14163843,"Molecular Formula":"C20H22O6","Molecular Weight":358.4,"Monoisotopic Mass":358.14163843,Charge:0,"Easy Name":"Matairesinol","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C20H22O6"},119418:{PUBCHEM:{CID:"119418","Compound Complexity":381,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"(5S)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","IUPAC Name CAS-like Style":"(5S)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","IUPAC Name Markup":"(5S)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","IUPAC Name Preferred":"(5S)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","IUPAC Name Systematic":"(5S)-5-methyl-13,15-bis(oxidanyl)-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","IUPAC Name Traditional":"(5S)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-quinone",InChI:"1S/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3/t10-/m0/s1",InChIKey:"VDUIGYAPSXCJFC-JTQLQIEISA-N","Log P":3.1,"Exact Mass":292.13107374,"Molecular Formula":"C16H20O5","Molecular Weight":292.33,"Monoisotopic Mass":292.13107374,Charge:0,"Easy Name":"Curvularin","Easy Category":"Antibacterial"},HSDB:{},ReducedFormula:"C16H20O5"},120096:{PUBCHEM:{CID:"120096","Compound Complexity":117,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Calcium;2,3-dihydroxypropyl phosphate","IUPAC Name CAS-like Style":"Calcium;2,3-dihydroxypropyl phosphate","IUPAC Name Markup":"Calcium;2,3-dihydroxypropyl phosphate","IUPAC Name Preferred":"Calcium;2,3-dihydroxypropyl phosphate","IUPAC Name Systematic":"Calcium;2,3-bis(oxidanyl)propyl phosphate","IUPAC Name Traditional":"Calcium;glyceryl phosphate",InChI:"1S/C3H9O6P.Ca/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",InChIKey:"IWIRHXNCFWGFJE-UHFFFAOYSA-L","Exact Mass":209.9606158,"Molecular Formula":"C3H7CaO6P","Molecular Weight":210.14,"Monoisotopic Mass":209.9606158,Charge:0,"Easy Name":"Calcium 1-glycerophosphate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C3Ca1H7O6P1"},120280:{PUBCHEM:{CID:"120280","Compound Complexity":38.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3-thiazinane","IUPAC Name CAS-like Style":"1,3-thiazinane","IUPAC Name Markup":"1,3-thiazinane","IUPAC Name Preferred":"1,3-thiazinane","IUPAC Name Systematic":"1,3-thiazinane","IUPAC Name Traditional":"1,3-thiazinane",InChI:"1S/C4H9NS/c1-2-5-4-6-3-1/h5H,1-4H2",InChIKey:"HOQOADCYROWGQA-UHFFFAOYSA-N","Log P":.7,"Exact Mass":103.04557047,"Molecular Formula":"C4H9NS","Molecular Weight":103.19,"Monoisotopic Mass":103.04557047,Charge:0,"Easy Name":"1, 3-Thiazinane","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H9N1S1"},121531:{PUBCHEM:{CID:"121531","Compound Complexity":116,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"1-(2-fluorophenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(2-fluorophenyl)-2-propanamine","IUPAC Name Markup":"1-(2-fluorophenyl)propan-2-amine","IUPAC Name Preferred":"1-(2-fluorophenyl)propan-2-amine","IUPAC Name Systematic":"1-(2-fluorophenyl)propan-2-amine","IUPAC Name Traditional":"[2-(2-fluorophenyl)-1-methyl-ethyl]amine",InChI:"1S/C9H12FN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3",InChIKey:"GDSXNLDTQFFIEU-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":153.09537755,"Molecular Formula":"C9H12FN","Molecular Weight":153.2,"Monoisotopic Mass":153.09537755,Charge:0,"Easy Name":"2-Fluoroamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C9F1H12N1"},121599:{PUBCHEM:{CID:"121599","Compound Complexity":70.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrahydropyran-4-one","IUPAC Name CAS-like Style":"4-oxanone","IUPAC Name Markup":"Oxan-4-one","IUPAC Name Preferred":"Oxan-4-one","IUPAC Name Systematic":"Oxan-4-one","IUPAC Name Traditional":"Tetrahydropyran-4-one",InChI:"1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2",InChIKey:"JMJRYTGVHCAYCT-UHFFFAOYSA-N","Log P":-.5,"Exact Mass":100.052429497,"Molecular Formula":"C5H8O2","Molecular Weight":100.12,"Monoisotopic Mass":100.052429497,Charge:0,"Easy Name":"Tetrahydro-4H-pyran-4-one","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C5H8O2"},121824:{PUBCHEM:{CID:"121824","Compound Complexity":19.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrafluorotitanium","IUPAC Name CAS-like Style":"Tetrafluorotitanium","IUPAC Name Markup":"Tetrafluorotitanium","IUPAC Name Preferred":"Tetrafluorotitanium","IUPAC Name Systematic":"Tetrakis(fluoranyl)titanium","IUPAC Name Traditional":"Tetrafluorotitanium",InChI:"1S/4FH.Ti/h4*1H;/q;;;;+4/p-4",InChIKey:"XROWMBWRMNHXMF-UHFFFAOYSA-J","Exact Mass":123.941554,"Molecular Formula":"F4Ti","Molecular Weight":123.86,"Monoisotopic Mass":123.941554,Charge:0,"Easy Name":"Titanium tetrafluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F4Ti1"},122143:{PUBCHEM:{CID:"122143","Compound Complexity":1690,"Hydrogen Bond Acceptor":35,"Hydrogen Bond Donor":7,"Rotatable Bond":21,"IUPAC Name Allowed":"37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol","IUPAC Name CAS-like Style":"37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol","IUPAC Name Markup":"37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol","IUPAC Name Preferred":"37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol","IUPAC Name Systematic":"37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol","IUPAC Name Traditional":"37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol",InChI:"1S/C56H98O35/c1-64-15-22-36-29(57)43(71-8)50(78-22)86-37-23(16-65-2)80-52(45(73-10)30(37)58)88-39-25(18-67-4)82-54(47(75-12)32(39)60)90-41-27(20-69-6)84-56(49(77-14)34(41)62)91-42-28(21-70-7)83-55(48(76-13)35(42)63)89-40-26(19-68-5)81-53(46(74-11)33(40)61)87-38-24(17-66-3)79-51(85-36)44(72-9)31(38)59/h22-63H,15-21H2,1-14H3",InChIKey:"QGKBSGBYSPTPKJ-UHFFFAOYSA-N","Log P":-7.5,"Exact Mass":1330.5888648,"Molecular Formula":"C56H98O35","Molecular Weight":1331.4,"Monoisotopic Mass":1330.5888648,Charge:0,"Easy Name":"Heptakis (2, 6-O-dimethyl)beta-cyclodextrin","Easy Category":"Carbohydrate"},HSDB:{},ReducedFormula:"C56H98O35"},122250:{PUBCHEM:{CID:"122250","Compound Complexity":277,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":6,"Rotatable Bond":3,"IUPAC Name Allowed":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate","IUPAC Name CAS-like Style":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] dihydrogen phosphate","IUPAC Name Markup":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate","IUPAC Name Preferred":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate","IUPAC Name Systematic":"[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate","IUPAC Name Traditional":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] dihydrogen phosphate",InChI:"1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1",InChIKey:"HXXFSFRBOHSIMQ-DVKNGEFBSA-N","Log P":-3.8,"Exact Mass":260.02971899,"Molecular Formula":"C6H13O9P","Molecular Weight":260.14,"Monoisotopic Mass":260.02971899,Charge:0,"Easy Name":"Β-D-glucose 1-phosphate","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H13O9P1"},122690:{PUBCHEM:{CID:"122690","Compound Complexity":1460,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":9,"Rotatable Bond":7,"IUPAC Name Allowed":"(2R,4S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,4S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-7,7,12,16-tetramethyl-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Markup":"(2R,4S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Preferred":"(2R,4S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Systematic":"(2R,4S,6R)-2-(hydroxymethyl)-6-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,5S)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-14-oxidanyl-6-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol","IUPAC Name Traditional":"(2R,4S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27?,28-,29+,30?,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1",InChIKey:"QMNWISYXSJWHRY-XZFBGSIGSA-N","Log P":1.3,"Exact Mass":784.46090687,"Molecular Formula":"C41H68O14","Molecular Weight":785,"Monoisotopic Mass":784.46090687,Charge:0,"Easy Name":"Astragaloside A","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C41H68O14"},122850:{PUBCHEM:{CID:"122850","Compound Complexity":392,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one","IUPAC Name CAS-like Style":"(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"(2R,3R)-2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one",InChI:"1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",InChIKey:"PADQINQHPQKXNL-LSDHHAIUSA-N","Log P":1.8,"Exact Mass":288.0633881,"Molecular Formula":"C15H12O6","Molecular Weight":288.25,"Monoisotopic Mass":288.0633881,Charge:0,"Easy Name":"Aromadendrin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O6"},123044:{PUBCHEM:{CID:"123044","Compound Complexity":418,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexacene","IUPAC Name CAS-like Style":"Hexacene","IUPAC Name Markup":"Hexacene","IUPAC Name Preferred":"Hexacene","IUPAC Name Systematic":"Hexacene","IUPAC Name Traditional":"Hexacene",InChI:"1S/C26H16/c1-2-6-18-10-22-14-26-16-24-12-20-8-4-3-7-19(20)11-23(24)15-25(26)13-21(22)9-17(18)5-1/h1-16H",InChIKey:"QSQIGGCOCHABAP-UHFFFAOYSA-N","Log P":8.2,"Exact Mass":328.12520052,"Molecular Formula":"C26H16","Molecular Weight":328.4,"Monoisotopic Mass":328.12520052,Charge:0,"Easy Name":"Hexacene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C26H16"},123047:{PUBCHEM:{CID:"123047","Compound Complexity":33,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triazine","IUPAC Name CAS-like Style":"Triazine","IUPAC Name Markup":"Triazine","IUPAC Name Preferred":"Triazine","IUPAC Name Systematic":"1,2,3-triazine","IUPAC Name Traditional":"Triazine",InChI:"1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H",InChIKey:"JYEUMXHLPRZUAT-UHFFFAOYSA-N","Log P":-.7,"Exact Mass":81.03269711,"Molecular Formula":"C3H3N3","Molecular Weight":81.08,"Monoisotopic Mass":81.03269711,Charge:0,"Easy Name":"1, 2, 3-triazine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H3N3"},123076:{PUBCHEM:{CID:"123076","Compound Complexity":289,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,4-trinitrobenzene","IUPAC Name CAS-like Style":"1,2,4-trinitrobenzene","IUPAC Name Markup":"1,2,4-trinitrobenzene","IUPAC Name Preferred":"1,2,4-trinitrobenzene","IUPAC Name Systematic":"1,2,4-trinitrobenzene","IUPAC Name Traditional":"1,2,4-trinitrobenzene",InChI:"1S/C6H3N3O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H",InChIKey:"OJJRABFYHOHGGU-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":213.00218483,"Molecular Formula":"C6H3N3O6","Molecular Weight":213.1,"Monoisotopic Mass":213.00218483,Charge:0,"Easy Name":"1, 2, 4-Trinitrobenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C6H3N3O6"},123106:{PUBCHEM:{CID:"123106","Compound Complexity":283,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trioxo(trioxorheniooxy)rhenium","IUPAC Name CAS-like Style":"Trioxo(trioxorheniooxy)rhenium","IUPAC Name Markup":"Trioxo(trioxorheniooxy)rhenium","IUPAC Name Preferred":"Trioxo(trioxorheniooxy)rhenium","IUPAC Name Systematic":"Tris(oxidanylidene)-[tris(oxidanylidene)rheniooxy]rhenium","IUPAC Name Traditional":"Triketo(triketorheniooxy)rhenium",InChI:"1S/7O.2Re",InChIKey:"NBGOSNNAAHDRLK-UHFFFAOYSA-N","Exact Mass":483.87311,"Molecular Formula":"O7Re2","Molecular Weight":484.41,"Monoisotopic Mass":485.87591,Charge:0,"Easy Name":"Rhenium (VII) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O7Re2"},123110:{PUBCHEM:{CID:"123110","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/Fe.S2/c;1-2/q+2;-2",InChIKey:"NIFIFKQPDTWWGU-UHFFFAOYSA-N","Exact Mass":119.879078,"Molecular Formula":"FeS2","Molecular Weight":120,"Monoisotopic Mass":119.879078,Charge:0,"Easy Name":"Iron (II) disulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1S2"},123161:{PUBCHEM:{CID:"123161","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Stannane","IUPAC Name CAS-like Style":"Stannane","IUPAC Name Markup":"Stannane","IUPAC Name Preferred":"Stannane","IUPAC Name Systematic":"Stannane","IUPAC Name Traditional":"Stannane",InChI:"1S/Sn.4H",InChIKey:"KXCAEQNNTZANTK-UHFFFAOYSA-N","Exact Mass":123.933502,"Molecular Formula":"H4Sn","Molecular Weight":122.74,"Monoisotopic Mass":123.933502,Charge:0,"Easy Name":"Stannane","Easy Category":"Hydride"},HSDB:{},ReducedFormula:"H4Sn1"},123195:{PUBCHEM:{CID:"123195","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diazene","IUPAC Name CAS-like Style":"Diazene","IUPAC Name Markup":"Diazene","IUPAC Name Preferred":"Diazene","IUPAC Name Systematic":"Diazene","IUPAC Name Traditional":"Diazene",InChI:"1S/H2N2/c1-2/h1-2H",InChIKey:"RAABOESOVLLHRU-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":30.021798073,"Molecular Formula":"H2N2","Molecular Weight":30.03,"Monoisotopic Mass":30.021798073,Charge:0,"Easy Name":"Diazene","Easy Category":"Hydride"},HSDB:{},ReducedFormula:"H2N2"},123260:{PUBCHEM:{CID:"123260","Compound Complexity":37.1,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentafluorobismuth","IUPAC Name CAS-like Style":"Pentafluorobismuth","IUPAC Name Markup":"Pentafluorobismuth","IUPAC Name Preferred":"Pentafluorobismuth","IUPAC Name Systematic":"Pentakis(fluoranyl)bismuth","IUPAC Name Traditional":"Pentafluorobismuth",InChI:"1S/Bi.5FH/h;5*1H/q+5;;;;;/p-5",InChIKey:"BAHXPLXDFQOVHO-UHFFFAOYSA-I","Exact Mass":303.97241,"Molecular Formula":"BiF5","Molecular Weight":303.9724,"Monoisotopic Mass":303.97241,Charge:0,"Easy Name":"Bismuth pentafluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi1F5"},123261:{PUBCHEM:{CID:"123261","Compound Complexity":12.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitrosyl fluoride","IUPAC Name CAS-like Style":"Nitrosyl fluoride","IUPAC Name Markup":"Nitrosyl fluoride","IUPAC Name Preferred":"Nitrosyl fluoride","IUPAC Name Systematic":"Nitrosyl fluoride","IUPAC Name Traditional":"Nitrosyl fluoride",InChI:"1S/FNO/c1-2-3",InChIKey:"ZEIYBPGWHWECHV-UHFFFAOYSA-N","Log P":.2,"Exact Mass":48.996391787,"Molecular Formula":"FNO","Molecular Weight":49.005,"Monoisotopic Mass":48.996391787,Charge:0,"Easy Name":"Nitrosyl fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1N1O1"},123263:{PUBCHEM:{CID:"123263","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrabromotitanium","IUPAC Name CAS-like Style":"Tetrabromotitanium","IUPAC Name Markup":"Tetrabromotitanium","IUPAC Name Preferred":"Tetrabromotitanium","IUPAC Name Systematic":"Tetrakis(bromanyl)titanium","IUPAC Name Traditional":"Tetrabromotitanium",InChI:"1S/4BrH.Ti/h4*1H;/q;;;;+4/p-4",InChIKey:"UBZYKBZMAMTNKW-UHFFFAOYSA-J","Exact Mass":367.61719,"Molecular Formula":"Br4Ti","Molecular Weight":367.48,"Monoisotopic Mass":363.62129,Charge:0,"Easy Name":"Titanium tetrabromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br4Ti1"},123264:{PUBCHEM:{CID:"123264","Compound Complexity":85.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dioxido(dioxo)tungsten","IUPAC Name CAS-like Style":"Calcium;dioxido(dioxo)tungsten","IUPAC Name Markup":"Calcium;dioxido(dioxo)tungsten","IUPAC Name Preferred":"Calcium;dioxido(dioxo)tungsten","IUPAC Name Systematic":"Calcium;bis(oxidanidyl)-bis(oxidanylidene)tungsten","IUPAC Name Traditional":"Calcium;diketo(dioxido)tungsten",InChI:"1S/Ca.4O.W/q+2;;;2*-1;",InChIKey:"FDMFQOCGNBYKPY-UHFFFAOYSA-N","Exact Mass":287.893183,"Molecular Formula":"CaO4W","Molecular Weight":287.9,"Monoisotopic Mass":287.893183,Charge:0,"Easy Name":"Calcium tungstate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1O4W1"},123266:{PUBCHEM:{CID:"123266","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/ClF/c1-2",InChIKey:"OMRRUNXAWXNVFW-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":53.9672559,"Molecular Formula":"ClF","Molecular Weight":54.45,"Monoisotopic Mass":53.9672559,Charge:0,"Easy Name":"Chlorine monofluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cl1F1"},123272:{PUBCHEM:{CID:"123272","Compound Complexity":283,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Perchloryl perchlorate","IUPAC Name CAS-like Style":"Perchloric acid perchloryl ester","IUPAC Name Markup":"Perchloryl perchlorate","IUPAC Name Preferred":"Perchloryl perchlorate","IUPAC Name Systematic":"Perchloryl perchlorate","IUPAC Name Traditional":"Perchloric acid perchloryl ester",InChI:"1S/Cl2O7/c3-1(4,5)9-2(6,7)8",InChIKey:"SCDFUIZLRPEIIH-UHFFFAOYSA-N","Log P":5.5,"Exact Mass":181.9021077,"Molecular Formula":"Cl2O7","Molecular Weight":182.9,"Monoisotopic Mass":181.9021077,Charge:0,"Easy Name":"Dichlorine heptoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Cl2O7"},123279:{PUBCHEM:{CID:"123279","Compound Complexity":106,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane","IUPAC Name CAS-like Style":"2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane","IUPAC Name Markup":"2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane","IUPAC Name Preferred":"2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane","IUPAC Name Systematic":"2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane","IUPAC Name Traditional":"2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane",InChI:"1S/CB4/c2-1-3(2)5(1)4(1)2",InChIKey:"INAHAJYZKVIDIZ-UHFFFAOYSA-N","Exact Mass":56.0372207,"Molecular Formula":"CB4","Molecular Weight":55.3,"Monoisotopic Mass":56.0372207,Charge:0,"Easy Name":"Boron carbide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"B4C1"},123286:{PUBCHEM:{CID:"123286","Compound Complexity":43,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane","IUPAC Name CAS-like Style":"1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane","IUPAC Name Markup":"1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane","IUPAC Name Preferred":"1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane","IUPAC Name Systematic":"1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane","IUPAC Name Traditional":"1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane",InChI:"1S/P4/c1-2-3(1)4(1)2",InChIKey:"OBSZRRSYVTXPNB-UHFFFAOYSA-N","Log P":-.5,"Exact Mass":123.89504799,"Molecular Formula":"P4","Molecular Weight":123.895048,"Monoisotopic Mass":123.89504799,Charge:0,"Easy Name":"White phosphorus","Easy Category":"Simple substances"},HSDB:{},ReducedFormula:"P4"},123287:{PUBCHEM:{CID:"123287","Compound Complexity":6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chlorooxy hypochlorite","IUPAC Name CAS-like Style":"Hypochlorous acid chlorooxy ester","IUPAC Name Markup":"Chlorooxy hypochlorite","IUPAC Name Preferred":"Chlorooxy hypochlorite","IUPAC Name Systematic":"Chloranyloxy hypochlorite","IUPAC Name Traditional":"Hypochlorous acid chlorooxy ester",InChI:"1S/Cl2O2/c1-3-4-2",InChIKey:"MAYPHUUCLRDEAZ-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":101.9275346,"Molecular Formula":"Cl2O2","Molecular Weight":102.9,"Monoisotopic Mass":101.9275346,Charge:0,"Easy Name":"Dichlorine dioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Cl2O2"},123290:{PUBCHEM:{CID:"123290","Compound Complexity":84.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name CAS-like Style":"2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name Markup":"2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name Preferred":"2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name Systematic":"2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane","IUPAC Name Traditional":"2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane",InChI:"1S/O6P4/c1-7-2-9-4-8(1)5-10(3-7)6-9",InChIKey:"VSAISIQCTGDGPU-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":219.86453571,"Molecular Formula":"O6P4","Molecular Weight":219.89,"Monoisotopic Mass":219.86453571,Charge:0,"Easy Name":"Phosphorus trioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O6P4"},123296:{PUBCHEM:{CID:"123296","Compound Complexity":6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bromosulfanyl thiohypobromite","IUPAC Name CAS-like Style":"Thiohypobromous acid (bromothio) ester","IUPAC Name Markup":"Bromosulfanyl thiohypobromite","IUPAC Name Preferred":"Bromosulfanyl thiohypobromite","IUPAC Name Systematic":"Bromanylsulfanyl thiohypobromite","IUPAC Name Traditional":"Thiohypobromous acid (bromothio) ester",InChI:"1S/Br2S2/c1-3-4-2",InChIKey:"JIRDGEGGAWJQHQ-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":223.77877,"Molecular Formula":"Br2S2","Molecular Weight":223.9,"Monoisotopic Mass":221.78082,Charge:0,"Easy Name":"Disulfur dibromide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Br2S2"},123298:{PUBCHEM:{CID:"123298","Compound Complexity":140,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,3-dibromonaphthalene","IUPAC Name CAS-like Style":"2,3-dibromonaphthalene","IUPAC Name Markup":"2,3-dibromonaphthalene","IUPAC Name Preferred":"2,3-dibromonaphthalene","IUPAC Name Systematic":"2,3-bis(bromanyl)naphthalene","IUPAC Name Traditional":"2,3-dibromonaphthalene",InChI:"1S/C10H6Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H",InChIKey:"GTILXPRQNNYDHT-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":285.88158,"Molecular Formula":"C10H6Br2","Molecular Weight":285.96,"Monoisotopic Mass":283.88363,Charge:0,"Easy Name":"2, 3-Dibromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br2C10H6"},123304:{PUBCHEM:{CID:"123304","Compound Complexity":12.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitrosyl bromide","IUPAC Name CAS-like Style":"Nitrosyl bromide","IUPAC Name Markup":"Nitrosyl bromide","IUPAC Name Preferred":"Nitrosyl bromide","IUPAC Name Systematic":"Nitrosyl bromide","IUPAC Name Traditional":"Nitrosyl bromide",InChI:"1S/BrNO/c1-2-3",InChIKey:"BMNDJWSIKZECMH-UHFFFAOYSA-N","Log P":.8,"Exact Mass":108.91633,"Molecular Formula":"BrNO","Molecular Weight":109.91,"Monoisotopic Mass":108.91633,Charge:0,"Easy Name":"Nitrosyl bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1N1O1"},123308:{PUBCHEM:{CID:"123308","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;oxido(oxo)borane","IUPAC Name CAS-like Style":"Lithium;oxido(oxo)borane","IUPAC Name Markup":"Lithium;oxido(oxo)borane","IUPAC Name Preferred":"Lithium;oxido(oxo)borane","IUPAC Name Systematic":"Lithium;oxidanidyl(oxidanylidene)borane","IUPAC Name Traditional":"Lithium;keto(oxido)borane",InChI:"1S/BO2.Li/c2-1-3;/q-1;+1",InChIKey:"HZRMTWQRDMYLNW-UHFFFAOYSA-N","Exact Mass":50.0151378,"Molecular Formula":"BLiO2","Molecular Weight":49.8,"Monoisotopic Mass":50.0151378,Charge:0,"Easy Name":"Lithium metaborate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"B1Li1O2"},123309:{PUBCHEM:{CID:"123309","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;perchlorate","IUPAC Name CAS-like Style":"Cesium;perchlorate","IUPAC Name Markup":"Cesium;perchlorate","IUPAC Name Preferred":"Cesium;perchlorate","IUPAC Name Systematic":"Cesium;perchlorate","IUPAC Name Traditional":"Cesium;perchlorate",InChI:"1S/ClHO4.Cs/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"WKDKOOITVYKILI-UHFFFAOYSA-M","Exact Mass":231.8539631,"Molecular Formula":"ClCsO4","Molecular Weight":232.35,"Monoisotopic Mass":231.8539631,Charge:0,"Easy Name":"Caesium perchlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1Cs1O4"},123310:{PUBCHEM:{CID:"123310","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachloroplumbane","IUPAC Name CAS-like Style":"Tetrachloroplumbane","IUPAC Name Markup":"Tetrachloroplumbane","IUPAC Name Preferred":"Tetrachloroplumbane","IUPAC Name Systematic":"Tetrakis(chloranyl)plumbane","IUPAC Name Traditional":"Tetrachloroplumbane",InChI:"1S/4ClH.Pb/h4*1H;/q;;;;+4/p-4",InChIKey:"PJYXVICYYHGLSW-UHFFFAOYSA-J","Exact Mass":349.84911,"Molecular Formula":"Cl4Pb","Molecular Weight":349,"Monoisotopic Mass":347.85206,Charge:0,"Easy Name":"Lead tetrachloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl4Pb1"},123311:{PUBCHEM:{CID:"123311","Compound Complexity":19.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/F4Se/c1-5(2,3)4",InChIKey:"PMOBWAXBGUSOPS-UHFFFAOYSA-N","Exact Mass":155.91013,"Molecular Formula":"F4Se","Molecular Weight":154.96,"Monoisotopic Mass":155.91013,Charge:0,"Easy Name":"Selenium tetrafluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F4Se1"},123318:{PUBCHEM:{CID:"123318","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silyloxysilane","IUPAC Name CAS-like Style":"Silyloxysilane","IUPAC Name Markup":"Silyloxysilane","IUPAC Name Preferred":"Silyloxysilane","IUPAC Name Systematic":"Silanyloxysilane","IUPAC Name Traditional":"Silyloxysilane",InChI:"1S/H6OSi2/c2-1-3/h2-3H3",InChIKey:"KPUWHANPEXNPJT-UHFFFAOYSA-N","Exact Mass":77.99571788,"Molecular Formula":"H6OSi2","Molecular Weight":78.22,"Monoisotopic Mass":77.99571788,Charge:0,"Easy Name":"Disiloxane","Easy Category":"Silanes"},HSDB:{},ReducedFormula:"H6O1Si2"},123323:{PUBCHEM:{CID:"123323","Compound Complexity":6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Fluorosulfanyl thiohypofluorite","IUPAC Name CAS-like Style":"Thiohypofluorous acid (fluorothio) ester","IUPAC Name Markup":"Fluorosulfanyl thiohypofluorite","IUPAC Name Preferred":"Fluorosulfanyl thiohypofluorite","IUPAC Name Systematic":"Fluoranylsulfanyl thiohypofluorite","IUPAC Name Traditional":"Thiohypofluorous acid (fluorothio) ester",InChI:"1S/F2S2/c1-3-4-2",InChIKey:"DKDSFVCSLPKNPV-UHFFFAOYSA-N","Log P":2,"Exact Mass":101.94094867,"Molecular Formula":"F2S2","Molecular Weight":102.13,"Monoisotopic Mass":101.94094867,Charge:0,"Easy Name":"Disulfur difluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F2S2"},123324:{PUBCHEM:{CID:"123324","Compound Complexity":19.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrafluoroxenon","IUPAC Name CAS-like Style":"Tetrafluoroxenon","IUPAC Name Markup":"Tetrafluoroxenon","IUPAC Name Preferred":"Tetrafluoroxenon","IUPAC Name Systematic":"Tetrakis(fluoranyl)xenon","IUPAC Name Traditional":"Tetrafluoroxenon",InChI:"1S/F4Xe/c1-5(2,3)4",InChIKey:"RPSSQXXJRBEGEE-UHFFFAOYSA-N","Exact Mass":207.89776774,"Molecular Formula":"F4Xe","Molecular Weight":207.29,"Monoisotopic Mass":207.89776774,Charge:0,"Easy Name":"Xenon tetrafluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F4Xe1"},123325:{PUBCHEM:{CID:"123325","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;oxido(oxo)borane","IUPAC Name CAS-like Style":"Potassium;oxido(oxo)borane","IUPAC Name Markup":"Potassium;oxido(oxo)borane","IUPAC Name Preferred":"Potassium;oxido(oxo)borane","IUPAC Name Systematic":"Potassium;oxidanidyl(oxidanylidene)borane","IUPAC Name Traditional":"Potassium;keto(oxido)borane",InChI:"1S/BO2.K/c2-1-3;/q-1;+1",InChIKey:"JVUYWILPYBCNNG-UHFFFAOYSA-N","Exact Mass":81.9628409,"Molecular Formula":"BKO2","Molecular Weight":81.91,"Monoisotopic Mass":81.9628409,Charge:0,"Easy Name":"Potassium metaborate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White hexagonal crystals"},Density:{Value:"Approximately 2.3 g/cu cm"},"Melting Point":{Value:"947 °C"},Solubility:{Value:"Insoluble in ethanol"}},ReducedFormula:"B1K1O2"},123340:{PUBCHEM:{CID:"123340","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hypoiodous acid","IUPAC Name CAS-like Style":"Hypoiodous acid","IUPAC Name Markup":"Hypoiodous acid","IUPAC Name Preferred":"Hypoiodous acid","IUPAC Name Systematic":"Hypoiodous acid","IUPAC Name Traditional":"Hypoiodous acid",InChI:"1S/HIO/c1-2/h2H",InChIKey:"GEOVEUCEIQCBKH-UHFFFAOYSA-N","Log P":.4,"Exact Mass":143.90721,"Molecular Formula":"HIO","Molecular Weight":143.912,"Monoisotopic Mass":143.90721,Charge:0,"Easy Name":"Hypoiodous acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H1I1O1"},123369:{PUBCHEM:{CID:"123369","Compound Complexity":96.6,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Heptafluororhenium","IUPAC Name CAS-like Style":"Heptafluororhenium","IUPAC Name Markup":"Heptafluororhenium","IUPAC Name Preferred":"Heptafluororhenium","IUPAC Name Systematic":"Heptakis(fluoranyl)rhenium","IUPAC Name Traditional":"Heptafluororhenium",InChI:"1S/7FH.Re/h7*1H;/q;;;;;;;+7/p-7",InChIKey:"HFHBKXWKPQUYIA-UHFFFAOYSA-G","Exact Mass":319.944574,"Molecular Formula":"F7Re","Molecular Weight":319.2,"Monoisotopic Mass":319.944574,Charge:0,"Easy Name":"Rhenium heptafluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F7Re1"},123395:{PUBCHEM:{CID:"123395","Compound Complexity":348,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":6,"Rotatable Bond":11,"IUPAC Name Allowed":"2-[2-(1,2-dicarboxyethylamino)ethylamino]butanedioic acid","IUPAC Name CAS-like Style":"2-[2-(1,2-dicarboxyethylamino)ethylamino]butanedioic acid","IUPAC Name Markup":"2-[2-(1,2-dicarboxyethylamino)ethylamino]butanedioic acid","IUPAC Name Preferred":"2-[2-(1,2-dicarboxyethylamino)ethylamino]butanedioic acid","IUPAC Name Systematic":"2-[2-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid","IUPAC Name Traditional":"2-[2-(1,2-dicarboxyethylamino)ethylamino]succinic acid",InChI:"1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",InChIKey:"VKZRWSNIWNFCIQ-UHFFFAOYSA-N","Log P":-6.9,"Exact Mass":292.09066548,"Molecular Formula":"C10H16N2O8","Molecular Weight":292.24,"Monoisotopic Mass":292.09066548,Charge:0,"Easy Name":"EDDS","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16N2O8"},123505:{PUBCHEM:{CID:"123505","Compound Complexity":45.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Pentane-2,3-diol","IUPAC Name CAS-like Style":"Pentane-2,3-diol","IUPAC Name Markup":"Pentane-2,3-diol","IUPAC Name Preferred":"Pentane-2,3-diol","IUPAC Name Systematic":"Pentane-2,3-diol","IUPAC Name Traditional":"Pentane-2,3-diol",InChI:"1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3",InChIKey:"XLMFDCKSFJWJTP-UHFFFAOYSA-N","Log P":.3,"Exact Mass":104.08372963,"Molecular Formula":"C5H12O2","Molecular Weight":104.15,"Monoisotopic Mass":104.08372963,Charge:0,"Easy Name":"Pentane-2, 3-diol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O2"},123582:{PUBCHEM:{CID:"123582","Compound Complexity":21.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,2-dibromoethanol","IUPAC Name CAS-like Style":"2,2-dibromoethanol","IUPAC Name Markup":"2,2-dibromoethanol","IUPAC Name Preferred":"2,2-dibromoethanol","IUPAC Name Systematic":"2,2-bis(bromanyl)ethanol","IUPAC Name Traditional":"2,2-dibromoethanol",InChI:"1S/C2H4Br2O/c3-2(4)1-5/h2,5H,1H2",InChIKey:"OGZJULUCZAZKHP-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":203.86084,"Molecular Formula":"C2H4Br2O","Molecular Weight":203.86,"Monoisotopic Mass":201.86289,Charge:0,"Easy Name":"2, 2-Dibromoethanol","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C2H4O1"},123591:{PUBCHEM:{CID:"123591","Compound Complexity":2030,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"[60]fullerene","IUPAC Name CAS-like Style":"(C60-Ih)[5,6]fullerene","IUPAC Name Markup":"(C60-Ih)[5,6]fullerene","IUPAC Name Preferred":"(C60-Ih)[5,6]fullerene","IUPAC Name Systematic":"(C60-Ih)[5,6]fullerene","IUPAC Name Traditional":"Buckminsterfullerene",InChI:"1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59",InChIKey:"XMWRBQBLMFGWIX-UHFFFAOYSA-N","Log P":18,"Exact Mass":720,"Molecular Formula":"C60","Molecular Weight":720.6,"Monoisotopic Mass":720,Charge:0,"Easy Name":"Buckminsterfullerene","Easy Category":"Simple substances"},HSDB:{"Color And Form":{Value:"Spherical aromatic molecule with a hollow truncated-icosahedron structure, similar to a soccer ball. /C60/"},Density:{Value:"1.72 g/cu cm /Solid state/"},"Melting Point":{Value:"At 260 K, a first-order phase transition from face-centered cubic crystal structure to a simple cubic structure is observed, accompanied by a lattice contraction. ... At 90 K the molecules rearrange to attain the best global minimum. ... At this temperature, the rotational degrees of freedom are frozen, and the solid structure is designated as a pseudo-face-centered cubic crystal structure. C70 Fullerene is rotationally disordered at room temperature and undergoes a transition to a low-temperature phase."},Solubility:{Value:"Virtually insoluble in acetone, ethers, and alcohols"},Uses:{Value:"C60 fullerene is an insulator but exhibits electrical conductivity when doped with electropositive metals."}},ReducedFormula:"C60"},123868:{PUBCHEM:{CID:"123868","Compound Complexity":112,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"3-[(trimethylammonio)amino]propanoate","IUPAC Name CAS-like Style":"3-[(trimethylammonio)amino]propanoate","IUPAC Name Markup":"3-[(trimethylazaniumyl)amino]propanoate","IUPAC Name Preferred":"3-[(trimethylazaniumyl)amino]propanoate","IUPAC Name Systematic":"3-[(trimethylazaniumyl)amino]propanoate","IUPAC Name Traditional":"3-[(trimethylammonio)amino]propionate",InChI:"1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3",InChIKey:"PVBQYTCFVWZSJK-UHFFFAOYSA-N","Log P":-2.1,"Exact Mass":146.1055277,"Molecular Formula":"C6H14N2O2","Molecular Weight":146.19,"Monoisotopic Mass":146.1055277,Charge:0,"Easy Name":"Meldonium","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C6H14N2O2"},123929:{PUBCHEM:{CID:"123929","Compound Complexity":260,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"2,6,10,14-tetramethylpentadecanoic acid","IUPAC Name CAS-like Style":"2,6,10,14-tetramethylpentadecanoic acid","IUPAC Name Markup":"2,6,10,14-tetramethylpentadecanoic acid","IUPAC Name Preferred":"2,6,10,14-tetramethylpentadecanoic acid","IUPAC Name Systematic":"2,6,10,14-tetramethylpentadecanoic acid","IUPAC Name Traditional":"2,6,10,14-tetramethylpentadecanoic acid",InChI:"1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)",InChIKey:"PAHGJZDQXIOYTH-UHFFFAOYSA-N","Log P":8,"Exact Mass":298.28718046,"Molecular Formula":"C19H38O2","Molecular Weight":298.5,"Monoisotopic Mass":298.28718046,Charge:0,"Easy Name":"Pristanic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C19H38O2"},124886:{PUBCHEM:{CID:"124886","Compound Complexity":389,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":6,"Rotatable Bond":9,"IUPAC Name Allowed":"(2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","IUPAC Name Markup":"(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid","IUPAC Name Preferred":"(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid","IUPAC Name Traditional":"(2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid",InChI:"1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",InChIKey:"RWSXRVCMGQZWBV-WDSKDSINSA-N","Log P":-4.5,"Exact Mass":307.08380645,"Molecular Formula":"C10H17N3O6S","Molecular Weight":307.33,"Monoisotopic Mass":307.08380645,Charge:0,"Easy Name":"Glutathione","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C10H17N3O6S1"},125409:{PUBCHEM:{CID:"125409","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2R,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3R,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3R,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3R,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3R,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1",InChIKey:"SRBFZHDQGSBBOR-KKQCNMDGSA-N","Log P":-2.5,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Β-D-Xylopyranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},125468:{PUBCHEM:{CID:"125468","Compound Complexity":103,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(E)-2-methylbut-2-enoic acid","IUPAC Name CAS-like Style":"(E)-2-methyl-2-butenoic acid","IUPAC Name Markup":"(E)-2-methylbut-2-enoic acid","IUPAC Name Preferred":"(E)-2-methylbut-2-enoic acid","IUPAC Name Systematic":"(E)-2-methylbut-2-enoic acid","IUPAC Name Traditional":"(E)-2-methylbut-2-enoic acid",InChI:"1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+",InChIKey:"UIERETOOQGIECD-ONEGZZNKSA-N","Log P":1,"Exact Mass":100.052429497,"Molecular Formula":"C5H8O2","Molecular Weight":100.12,"Monoisotopic Mass":100.052429497,Charge:0,"Easy Name":"Tiglic acid","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg"},"Color And Form":{Value:"Triclinic plates, rods from water"},"Critical Temperature And Pressure":{Value:"Critical temperature: 680.62 K; critical pressure: 4857.97 kPa (est)"},Density:{Value:"0.972"},"Melting Point":{Value:"62.5-64 °C"},Odor:{Value:"Spicey"},"Refractive Index":{Value:"Index of refraction: 1.4342 at 81 °C/D"},Solubility:{Value:"Sparingly soluble in cold water; freely soluble in hot water. Soluble in alcohol, ether."},Uses:{Value:"The esters in perfumes and flavoring agents. The free acid as a breaker of emulsions."},"Vapor Pressure":{Value:"1.33X10-1 mm Hg at 25 °C"}},ReducedFormula:"C5H8O2"},126540:{PUBCHEM:{CID:"126540","Compound Complexity":545,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a-diol","IUPAC Name CAS-like Style":"(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c][1]benzopyran-3,6a-diol","IUPAC Name Markup":"(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol","IUPAC Name Preferred":"(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol","IUPAC Name Systematic":"(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol","IUPAC Name Traditional":"(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a-diol",InChI:"1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1",InChIKey:"ZHPYEBFYLDGZKF-LEWJYISDSA-N","Log P":3.5,"Exact Mass":354.14672381,"Molecular Formula":"C21H22O5","Molecular Weight":354.4,"Monoisotopic Mass":354.14672381,Charge:0,"Easy Name":"Cristacarpin","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C21H22O5"},128357:{PUBCHEM:{CID:"128357","Compound Complexity":637,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-pentanoic acid","IUPAC Name CAS-like Style":"(2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid","IUPAC Name Markup":"(2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid","IUPAC Name Preferred":"(2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid","IUPAC Name Systematic":"(2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-pentanoic acid","IUPAC Name Traditional":"(2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-valeric acid",InChI:"1S/C24H40O5/c1-13(10-20(27)22(28)29)16-4-5-17-21-18(7-9-24(16,17)3)23(2)8-6-15(25)11-14(23)12-19(21)26/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20-,21+,23+,24-/m1/s1",InChIKey:"SLDVWYDDPPFGHK-WEZRZJDESA-N","Log P":4.4,"Exact Mass":408.28757439,"Molecular Formula":"C24H40O5","Molecular Weight":408.6,"Monoisotopic Mass":408.28757439,Charge:0,"Easy Name":"Phocaecholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O5"},128861:{PUBCHEM:{CID:"128861","Compound Complexity":364,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-1-benzopyrylium-3,5,7-triol","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-1-benzopyrylium-3,5,7-triol",InChI:"1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1",InChIKey:"VEVZSMAEJFVWIL-UHFFFAOYSA-O","Exact Mass":287.05556307,"Molecular Formula":"C15H11O6+","Molecular Weight":287.24,"Monoisotopic Mass":287.05556307,Charge:1,"Easy Name":"Cyanidin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"+1C15H11O6"},129648:{PUBCHEM:{CID:"129648","Compound Complexity":389,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"(6aS,11aS)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a,9-triol","IUPAC Name CAS-like Style":"(6aS,11aS)-6,11a-dihydrobenzofuro[3,2-c][1]benzopyran-3,6a,9-triol","IUPAC Name Markup":"(6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol","IUPAC Name Preferred":"(6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol","IUPAC Name Systematic":"(6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol","IUPAC Name Traditional":"(6aS,11aS)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a,9-triol",InChI:"1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1",InChIKey:"QMXOFBXZEKTJIK-LSDHHAIUSA-N","Log P":1.2,"Exact Mass":272.06847348,"Molecular Formula":"C15H12O5","Molecular Weight":272.25,"Monoisotopic Mass":272.06847348,Charge:0,"Easy Name":"Glycinol","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C15H12O5"},131411:{PUBCHEM:{CID:"131411","Compound Complexity":546,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"Ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate","IUPAC Name CAS-like Style":"6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester","IUPAC Name Markup":"Ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate","IUPAC Name Preferred":"Ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate","IUPAC Name Systematic":"Ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate","IUPAC Name Traditional":"6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester",InChI:"1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3",InChIKey:"KCFYEAOKVJSACF-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":476.07693,"Molecular Formula":"C22H25BrN2O3S","Molecular Weight":477.4,"Monoisotopic Mass":476.07693,Charge:0,"Easy Name":"Arbidol","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C22H25N2O3S1"},133017:{PUBCHEM:{CID:"133017","Compound Complexity":609,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"13-chloro-2-[1-[(5-methyl-3-pyridyl)methyl]-4-piperidylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene","IUPAC Name CAS-like Style":"13-chloro-2-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene","IUPAC Name Markup":"13-chloro-2-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene","IUPAC Name Preferred":"13-chloro-2-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene","IUPAC Name Systematic":"13-chloranyl-2-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene","IUPAC Name Traditional":"13-chloro-2-[1-[(5-methyl-3-pyridyl)methyl]-4-piperidylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene",InChI:"1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3",InChIKey:"WUZYKBABMWJHDL-UHFFFAOYSA-N","Log P":5.8,"Exact Mass":415.1815255,"Molecular Formula":"C26H26ClN3","Molecular Weight":416,"Monoisotopic Mass":415.1815255,Charge:0,"Easy Name":"Rupatadine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C26Cl1H26N3"},134460:{PUBCHEM:{CID:"134460","Compound Complexity":84.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"3-ethylpentanoic acid","IUPAC Name CAS-like Style":"3-ethylpentanoic acid","IUPAC Name Markup":"3-ethylpentanoic acid","IUPAC Name Preferred":"3-ethylpentanoic acid","IUPAC Name Systematic":"3-ethylpentanoic acid","IUPAC Name Traditional":"3-ethylvaleric acid",InChI:"1S/C7H14O2/c1-3-6(4-2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",InChIKey:"ATUUSOSLBXVJKL-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":130.09937969,"Molecular Formula":"C7H14O2","Molecular Weight":130.18,"Monoisotopic Mass":130.09937969,Charge:0,"Easy Name":"3-ethylpentanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H14O2"},134601:{PUBCHEM:{CID:"134601","Compound Complexity":380,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":8,"IUPAC Name Allowed":"(3S)-3-amino-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid","IUPAC Name CAS-like Style":"(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid","IUPAC Name Markup":"(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid","IUPAC Name Preferred":"(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid","IUPAC Name Systematic":"(3S)-3-azanyl-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid","IUPAC Name Traditional":"(3S)-3-amino-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid",InChI:"1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1",InChIKey:"IAOZJIPTCAWIRG-QWRGUYRKSA-N","Log P":-2.7,"Exact Mass":294.12157169,"Molecular Formula":"C14H18N2O5","Molecular Weight":294.3,"Monoisotopic Mass":294.12157169,Charge:0,"Easy Name":"Aspartame","Easy Category":"Food additive"},HSDB:{"Color And Form":{Value:"Colorless needles from water"},"Melting Point":{Value:"246.5 °C"},Odor:{Value:"Odorless"},pH:{Value:"0.8% Solution in water has a pH of about 5.3."},Solubility:{Value:"More soluble in acidic solutions and hot water; slightly soluble in alcohol; very slightly soluble in chloroform; practically insoluble in oils."},Taste:{Value:"Sweet"},Uses:{Value:"A synthetic, non-nutritive sweetener approved by FDA for tabletop use and as a packaged food additive. The U.S., Canada and South Africa permit its use in carbonated beverages. A combination of aspartic acid and L-phenylalanine is said to be about 200 times sweeter than sugar. /Nutrasweet (TM)/"},"Vapor Pressure":{Value:"2.84X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C14H18N2O5"},134603:{PUBCHEM:{CID:"134603","Compound Complexity":86.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R)-2-amino-4-sulfanyl-butanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-4-mercaptobutanoic acid","IUPAC Name Markup":"(2R)-2-amino-4-sulfanylbutanoic acid","IUPAC Name Preferred":"(2R)-2-amino-4-sulfanylbutanoic acid","IUPAC Name Systematic":"(2R)-2-azanyl-4-sulfanyl-butanoic acid","IUPAC Name Traditional":"(2R)-2-amino-4-mercapto-butyric acid",InChI:"1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1",InChIKey:"FFFHZYDWPBMWHY-GSVOUGTGSA-N","Log P":-3.4,"Exact Mass":135.03539971,"Molecular Formula":"C4H9NO2S","Molecular Weight":135.19,"Monoisotopic Mass":135.03539971,Charge:0,"Easy Name":"D-Homocysteine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C4H9N1O2S1"},134655:{PUBCHEM:{CID:"134655","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);selenate","IUPAC Name CAS-like Style":"Barium(2+);selenate","IUPAC Name Markup":"Barium(2+);selenate","IUPAC Name Preferred":"Barium(2+);selenate","IUPAC Name Systematic":"Barium(2+);selenate","IUPAC Name Traditional":"Barium(2+);selenate",InChI:"1S/Ba.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"ZIGAPMSTBOKWRT-UHFFFAOYSA-L","Exact Mass":281.80143,"Molecular Formula":"BaO4Se","Molecular Weight":280.3,"Monoisotopic Mass":281.80143,Charge:0,"Easy Name":"Barium selenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1O4Se1"},134660:{PUBCHEM:{CID:"134660","Compound Complexity":8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tricalcium;diborate","IUPAC Name CAS-like Style":"Tricalcium;diborate","IUPAC Name Markup":"Tricalcium;diborate","IUPAC Name Preferred":"Tricalcium;diborate","IUPAC Name Systematic":"Tricalcium;diborate","IUPAC Name Traditional":"Tricalcium;diborate",InChI:"1S/2BO3.3Ca/c2*2-1(3)4;;;/q2*-3;3*+2",InChIKey:"VLCLHFYFMCKBRP-UHFFFAOYSA-N","Exact Mass":237.8758706,"Molecular Formula":"B2Ca3O6","Molecular Weight":237.9,"Monoisotopic Mass":237.8758706,Charge:0,"Easy Name":"Calcium borate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"B2Ca3O6"},134838:{PUBCHEM:{CID:"134838","Compound Complexity":27.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,1,3-tribromopropane","IUPAC Name CAS-like Style":"1,1,3-tribromopropane","IUPAC Name Markup":"1,1,3-tribromopropane","IUPAC Name Preferred":"1,1,3-tribromopropane","IUPAC Name Systematic":"1,1,3-tris(bromanyl)propane","IUPAC Name Traditional":"1,1,3-tribromopropane",InChI:"1S/C3H5Br3/c4-2-1-3(5)6/h3H,1-2H2",InChIKey:"PYTGCWNMUAUPPL-UHFFFAOYSA-N","Log P":3,"Exact Mass":279.79209,"Molecular Formula":"C3H5Br3","Molecular Weight":280.78,"Monoisotopic Mass":277.79414,Charge:0,"Easy Name":"1, 1, 3-tribromopropane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br3C3H5"},134965:{PUBCHEM:{CID:"134965","Compound Complexity":123,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(3S)-3,5-dihydroxy-3-methyl-pentanoic acid","IUPAC Name CAS-like Style":"(3S)-3,5-dihydroxy-3-methylpentanoic acid","IUPAC Name Markup":"(3S)-3,5-dihydroxy-3-methylpentanoic acid","IUPAC Name Preferred":"(3S)-3,5-dihydroxy-3-methylpentanoic acid","IUPAC Name Systematic":"(3S)-3-methyl-3,5-bis(oxidanyl)pentanoic acid","IUPAC Name Traditional":"(3S)-3,5-dihydroxy-3-methyl-valeric acid",InChI:"1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m0/s1",InChIKey:"KJTLQQUUPVSXIM-LURJTMIESA-N","Log P":-1,"Exact Mass":148.07355887,"Molecular Formula":"C6H12O4","Molecular Weight":148.16,"Monoisotopic Mass":148.07355887,Charge:0,"Easy Name":" (S)-Mevalonic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C6H12O4"},135111:{PUBCHEM:{CID:"135111","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Lanthanum(3+);trihydroxide","IUPAC Name CAS-like Style":"Lanthanum(3+);trihydroxide","IUPAC Name Markup":"Lanthanum(3+);trihydroxide","IUPAC Name Preferred":"Lanthanum(3+);trihydroxide","IUPAC Name Systematic":"Lanthanum(3+);trihydroxide","IUPAC Name Traditional":"Lanthanum(3+);trihydroxide",InChI:"1S/La.3H2O/h;3*1H2/q+3;;;/p-3",InChIKey:"YXEUGTSPQFTXTR-UHFFFAOYSA-K","Exact Mass":189.91458,"Molecular Formula":"H3LaO3","Molecular Weight":189.928,"Monoisotopic Mass":189.91458,Charge:0,"Easy Name":"Lanthanum (III) Hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H3La1O3"},135375:{PUBCHEM:{CID:"135375","Compound Complexity":236,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3,6,7,8-hexabromonaphthalene","IUPAC Name CAS-like Style":"1,2,3,6,7,8-hexabromonaphthalene","IUPAC Name Markup":"1,2,3,6,7,8-hexabromonaphthalene","IUPAC Name Preferred":"1,2,3,6,7,8-hexabromonaphthalene","IUPAC Name Systematic":"1,2,3,6,7,8-hexakis(bromanyl)naphthalene","IUPAC Name Traditional":"1,2,3,6,7,8-hexabromonaphthalene",InChI:"1S/C10H2Br6/c11-4-1-3-2-5(12)8(14)10(16)6(3)9(15)7(4)13/h1-2H",InChIKey:"WTFPGWCLJAMPTH-UHFFFAOYSA-N","Log P":7.3,"Exact Mass":601.51953,"Molecular Formula":"C10H2Br6","Molecular Weight":601.5,"Monoisotopic Mass":595.52568,Charge:0,"Easy Name":"2, 3, 4, 5, 6, 7-hexabromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br6C10H2"},135740:{PUBCHEM:{CID:"135740","Compound Complexity":163,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(2,5-dimethoxy-4-methyl-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(2,5-dimethoxy-4-methylphenyl)ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxy-4-methylphenyl)ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxy-4-methylphenyl)ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxy-4-methyl-phenyl)ethanamine","IUPAC Name Traditional":"2-(2,5-dimethoxy-4-methyl-phenyl)ethylamine",InChI:"1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3",InChIKey:"UNQQFDCVEMVQHM-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":195.12592879,"Molecular Formula":"C11H17NO2","Molecular Weight":195.26,"Monoisotopic Mass":195.12592879,Charge:0,"Easy Name":"2C-D","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C11H17N1O2"},135972:{PUBCHEM:{CID:"135972","Compound Complexity":29.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2H-azirine","IUPAC Name CAS-like Style":"2H-azirine","IUPAC Name Markup":"2H-azirine","IUPAC Name Preferred":"2H-azirine","IUPAC Name Systematic":"2H-azirine","IUPAC Name 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acid","IUPAC Name Traditional":"2-hydroxy-2-methyl-malonic acid",InChI:"1S/C4H6O5/c1-4(9,2(5)6)3(7)8/h9H,1H3,(H,5,6)(H,7,8)",InChIKey:"LNRVTEQEGXVMEF-UHFFFAOYSA-N","Log P":-1,"Exact Mass":134.02152329,"Molecular Formula":"C4H6O5","Molecular Weight":134.09,"Monoisotopic Mass":134.02152329,Charge:0,"Easy Name":"2-Methyltartronic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C4H6O5"},136704:{PUBCHEM:{CID:"136704","Compound Complexity":63.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"3-methylpent-1-yne","IUPAC Name CAS-like Style":"3-methyl-1-pentyne","IUPAC Name Markup":"3-methylpent-1-yne","IUPAC Name Preferred":"3-methylpent-1-yne","IUPAC Name Systematic":"3-methylpent-1-yne","IUPAC Name Traditional":"3-methylpent-1-yne",InChI:"1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3",InChIKey:"PLHJCCHSCFNKCC-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":82.078250322,"Molecular Formula":"C6H10","Molecular Weight":82.14,"Monoisotopic 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Allowed":"Azetidin-2-one","IUPAC Name CAS-like Style":"2-azetidinone","IUPAC Name Markup":"Azetidin-2-one","IUPAC Name Preferred":"Azetidin-2-one","IUPAC Name Systematic":"Azetidin-2-one","IUPAC Name Traditional":"Azetidin-2-one",InChI:"1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)",InChIKey:"MNFORVFSTILPAW-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":71.037113785,"Molecular Formula":"C3H5NO","Molecular Weight":71.08,"Monoisotopic Mass":71.037113785,Charge:0,"Easy Name":"2-Azetidinone","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C3H5N1O1"},136796:{PUBCHEM:{CID:"136796","Compound Complexity":196,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tricyclo[3.3.2.02,8]deca-3,6,9-triene","IUPAC Name CAS-like Style":"Tricyclo[3.3.2.02,8]deca-3,6,9-triene","IUPAC Name Markup":"Tricyclo[3.3.2.02,8]deca-3,6,9-triene","IUPAC Name Preferred":"Tricyclo[3.3.2.02,8]deca-3,6,9-triene","IUPAC Name Systematic":"Tricyclo[3.3.2.02,8]deca-3,6,9-triene","IUPAC Name 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salt"},HSDB:{},ReducedFormula:"Cl4W1"},139469:{PUBCHEM:{CID:"139469","Compound Complexity":37.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentachlorotungsten","IUPAC Name CAS-like Style":"Pentachlorotungsten","IUPAC Name Markup":"Pentachlorotungsten","IUPAC Name Preferred":"Pentachlorotungsten","IUPAC Name Systematic":"Pentakis(chloranyl)tungsten","IUPAC Name Traditional":"Pentachlorotungsten",InChI:"1S/5ClH.W/h5*1H;/q;;;;;+5/p-5",InChIKey:"WIDQNNDDTXUPAN-UHFFFAOYSA-I","Exact Mass":360.792247,"Molecular Formula":"Cl5W","Molecular Weight":361.1,"Monoisotopic Mass":358.795197,Charge:0,"Easy Name":"Tungsten (V) chloride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cl5W1"},139512:{PUBCHEM:{CID:"139512","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iodosilane","IUPAC Name CAS-like Style":"Iodosilane","IUPAC Name Markup":"Iodosilane","IUPAC Name 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matter"},HSDB:{},ReducedFormula:"Cl1Ge1H3"},139546:{PUBCHEM:{CID:"139546","Compound Complexity":62.7,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexafluoroxenon","IUPAC Name CAS-like Style":"Hexafluoroxenon","IUPAC Name Markup":"Hexafluoroxenon","IUPAC Name Preferred":"Hexafluoroxenon","IUPAC Name Systematic":"Hexakis(fluoranyl)xenon","IUPAC Name Traditional":"Hexafluoroxenon",InChI:"1S/F6Xe/c1-7(2,3,4,5)6",InChIKey:"ARUUTJKURHLAMI-UHFFFAOYSA-N","Exact Mass":245.89457406,"Molecular Formula":"F6Xe","Molecular Weight":245.28,"Monoisotopic Mass":245.89457406,Charge:0,"Easy Name":"Xenon hexafluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F6Xe1"},139548:{PUBCHEM:{CID:"139548","Compound Complexity":26.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloro(dichloroboranyl)borane","IUPAC Name CAS-like Style":"Dichloro(dichloroboranyl)borane","IUPAC Name Markup":"Dichloro(dichloroboranyl)borane","IUPAC Name Preferred":"Dichloro(dichloroboranyl)borane","IUPAC Name Systematic":"Bis(chloranyl)boranyl-bis(chloranyl)borane","IUPAC Name Traditional":"Dichloro(dichloroboranyl)borane",InChI:"1S/B2Cl4/c3-1(4)2(5)6",InChIKey:"LCWVIHDXYOFGEG-UHFFFAOYSA-N","Exact Mass":163.891071,"Molecular Formula":"B2Cl4","Molecular Weight":163.4,"Monoisotopic Mass":161.894021,Charge:0,"Easy Name":"Tetrachlorodiborane","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"B2Cl4"},139583:{PUBCHEM:{CID:"139583","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;oxido(trioxo)rhenium","IUPAC Name CAS-like Style":"Cesium;oxido(trioxo)rhenium","IUPAC Name Markup":"Cesium;oxido(trioxo)rhenium","IUPAC Name Preferred":"Cesium;oxido(trioxo)rhenium","IUPAC Name Systematic":"Cesium;oxidanidyl-tris(oxidanylidene)rhenium","IUPAC Name 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oxide","Easy Category":"Oxohalides"},HSDB:{},ReducedFormula:"B1Cl1O1"},142049:{PUBCHEM:{CID:"142049","Compound Complexity":4.1,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbanide;tungsten","IUPAC Name CAS-like Style":"Carbanide;tungsten","IUPAC Name Markup":"Carbanide;tungsten","IUPAC Name Preferred":"Carbanide;tungsten","IUPAC Name Systematic":"Carbanide;tungsten","IUPAC Name Traditional":"Carbanide;tungsten",InChI:"1S/6CH3.W/h6*1H3;/q6*-1;",InChIKey:"SNXBWRKAOJSNLL-UHFFFAOYSA-N","Exact Mass":274.091784,"Molecular Formula":"C6H18W-6","Molecular Weight":274,"Monoisotopic Mass":274.091784,Charge:-6,"Easy Name":"Hexamethyltungsten","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"-6C6H18W1"},142273:{PUBCHEM:{CID:"142273","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxoosmium","IUPAC Name CAS-like Style":"Oxoosmium","IUPAC Name Markup":"Oxoosmium","IUPAC Name Preferred":"Oxoosmium","IUPAC Name Systematic":"Oxidanylideneosmium","IUPAC Name Traditional":"Ketoosmium",InChI:"1S/O.Os",InChIKey:"JIWAALDUIFCBLV-UHFFFAOYSA-N","Exact Mass":207.95639,"Molecular Formula":"OOs","Molecular Weight":206.2,"Monoisotopic Mass":207.95639,Charge:0,"Easy Name":"Oxoosmium","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O1Os1"},142606:{PUBCHEM:{CID:"142606","Compound Complexity":37.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,3-dibromopentane","IUPAC Name CAS-like Style":"1,3-dibromopentane","IUPAC Name Markup":"1,3-dibromopentane","IUPAC Name Preferred":"1,3-dibromopentane","IUPAC Name Systematic":"1,3-bis(bromanyl)pentane","IUPAC Name Traditional":"1,3-dibromopentane",InChI:"1S/C5H10Br2/c1-2-5(7)3-4-6/h5H,2-4H2,1H3",InChIKey:"SOZLNIPBRVQUOG-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":229.91288,"Molecular Formula":"C5H10Br2","Molecular Weight":229.94,"Monoisotopic 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Name":"6-Methyl-3-heptyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C8H14"},143165:{PUBCHEM:{CID:"143165","Compound Complexity":15.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Traditional":"Aminoazoamine",InChI:"1S/H4N4/c1-3-4-2/h(H2,1,4)(H2,2,3)",InChIKey:"MAZKAODOCXYDCM-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":60.043596147,"Molecular Formula":"H4N4","Molecular Weight":60.06,"Monoisotopic Mass":60.043596147,Charge:0,"Easy Name":"2-Tetrazene","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"H4N4"},143885:{PUBCHEM:{CID:"143885","Compound Complexity":26.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,1-dibromobutane","IUPAC Name CAS-like Style":"1,1-dibromobutane","IUPAC Name Markup":"1,1-dibromobutane","IUPAC Name Preferred":"1,1-dibromobutane","IUPAC Name Systematic":"1,1-bis(bromanyl)butane","IUPAC Name Traditional":"1,1-dibromobutane",InChI:"1S/C4H8Br2/c1-2-3-4(5)6/h4H,2-3H2,1H3",InChIKey:"ZRSKKRWCHNPOPE-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":215.89723,"Molecular Formula":"C4H8Br2","Molecular Weight":215.91,"Monoisotopic Mass":213.89928,Charge:0,"Easy Name":"1, 1-dibromobutane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C4H8"},144025:{PUBCHEM:{CID:"144025","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibromomolybdenum","IUPAC Name CAS-like Style":"Dibromomolybdenum","IUPAC Name Markup":"Dibromomolybdenum","IUPAC Name Preferred":"Dibromomolybdenum","IUPAC Name Systematic":"Bis(bromanyl)molybdenum","IUPAC Name Traditional":"Dibromomolybdenum",InChI:"1S/2BrH.Mo/h2*1H;/q;;+2/p-2",InChIKey:"GMMJTCLAKDKBCZ-UHFFFAOYSA-L","Exact Mass":257.74003,"Molecular Formula":"Br2Mo","Molecular Weight":255.8,"Monoisotopic Mass":255.74208,Charge:0,"Easy Name":"Molybdenum (II) bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br2Mo1"},145068:{PUBCHEM:{CID:"145068","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitric oxide","IUPAC Name CAS-like Style":"Nitric oxide","IUPAC Name Markup":"Nitric oxide","IUPAC Name Preferred":"Nitric oxide","IUPAC Name Systematic":"Nitric oxide","IUPAC Name Traditional":"Nitric oxide",InChI:"1S/NO/c1-2",InChIKey:"MWUXSHHQAYIFBG-UHFFFAOYSA-N","Log P":.2,"Exact Mass":29.997988624,"Molecular Formula":"NO","Molecular Weight":30.006,"Monoisotopic Mass":29.997988624,Charge:0,"Easy Name":"Nitric oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"-151.74 °C"},"Color And Form":{Value:"COLORLESS GAS; BLUE LIQ"},"Critical Temperature And Pressure":{Value:"CRITICAL TEMP: -92.9 °C; CRITICAL PRESSURE: 64.6 ATM"},Density:{Value:"1.27 AT -150.2 °C, LIQ"},"Heat Of Vaporization":{Value:"3.293 KCAL/MOLE"},"Melting Point":{Value:"-163.6 °C"},Odor:{Value:"Sharp, sweet odor"},"Refractive Index":{Value:"Index of Refraction: 1.0002697 @ 25 °C"},Solubility:{Value:"7.38 ml/ 100 ml water at 0 °C; 4.6 ml/ 100 ml water at 20 °C; 2.37 ml/ 100 ml water at 60 °C"},Uses:{Value:"MANUFACTURE OF NITRIC ACID; IN BLEACHING OF RAYON; STABILIZER FOR PROPYLENE, METHYL ETHER"},"Vapor Density":{Value:"1.04 (AIR= 1)"},"Vapor Pressure":{Value:"45600 MM HG AT -94.8 °C"},Viscosity:{Value:"0.0188 cP at 25 °C @ 101.325 KPa (gas)"}},ReducedFormula:"N1O1"},145326:{PUBCHEM:{CID:"145326","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;oxido(oxo)borane","IUPAC Name CAS-like Style":"Sodium;oxido(oxo)borane","IUPAC Name Markup":"Sodium;oxido(oxo)borane","IUPAC Name Preferred":"Sodium;oxido(oxo)borane","IUPAC Name Systematic":"Sodium;oxidanidyl(oxidanylidene)borane","IUPAC Name Traditional":"Sodium;keto(oxido)borane",InChI:"1S/BO2.Na/c2-1-3;/q-1;+1",InChIKey:"NVIFVTYDZMXWGX-UHFFFAOYSA-N","Exact Mass":65.9889037,"Molecular 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(est)"}},ReducedFormula:"C5H9N1O2"},146045:{PUBCHEM:{CID:"146045","Compound Complexity":181,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/2Na.H2O6S2/c;;1-7(2,3)8(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",InChIKey:"CSMWJXBSXGUPGY-UHFFFAOYSA-L","Exact Mass":205.89316863,"Molecular Formula":"Na2O6S2","Molecular Weight":206.11,"Monoisotopic Mass":205.89316863,Charge:0,"Easy Name":"Sodium dithionate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2O6S2"},146543:{PUBCHEM:{CID:"146543","Compound Complexity":18.8,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;platinum(2+);dinitrate","IUPAC Name CAS-like Style":"Ammonia;platinum(2+);dinitrate","IUPAC Name Markup":"Azane;platinum(2+);dinitrate","IUPAC Name Preferred":"Azane;platinum(2+);dinitrate","IUPAC Name Systematic":"Azane;platinum(2+);dinitrate","IUPAC Name Traditional":"Ammonia;platinum(2+);dinitrate",InChI:"1S/2NO3.4H3N.Pt/c2*2-1(3)4;;;;;/h;;4*1H3;/q2*-1;;;;;+2",InChIKey:"RBAKORNXYLGSJB-UHFFFAOYSA-N","Exact Mass":387.046626,"Molecular Formula":"H12N6O6Pt","Molecular Weight":387.22,"Monoisotopic Mass":387.046626,Charge:0,"Easy Name":"Tetraammineplatinum (II) nitrate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"H12N6O6Pt1"},147113:{PUBCHEM:{CID:"147113","Compound Complexity":580,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"8-hydroxy-9-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name CAS-like Style":"8-hydroxy-9-methoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid","IUPAC Name Markup":"8-hydroxy-9-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Preferred":"8-hydroxy-9-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Systematic":"9-methoxy-6-nitro-8-oxidanyl-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Traditional":"8-hydroxy-9-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid",InChI:"1S/C17H11NO8/c1-24-11-3-2-7-8(15(11)19)4-10(18(22)23)13-9(17(20)21)5-12-16(14(7)13)26-6-25-12/h2-5,19H,6H2,1H3,(H,20,21)",InChIKey:"ZRCMNWRTDNPVFL-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":357.04846632,"Molecular Formula":"C17H11NO8","Molecular Weight":357.3,"Monoisotopic Mass":357.04846632,Charge:0,"Easy Name":"Aristolochic acid E","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C17H11N1O8"},147806:{PUBCHEM:{CID:"147806","Compound Complexity":309,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"3-hydroxy-2-phenyl-chroman-4-one","IUPAC Name CAS-like Style":"3-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"3-hydroxy-2-phenyl-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"3-hydroxy-2-phenyl-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"3-oxidanyl-2-phenyl-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"3-hydroxy-2-phenyl-chroman-4-one",InChI:"1S/C15H12O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,14-15,17H",InChIKey:"YEDFEBOUHSBQBT-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":240.07864425,"Molecular Formula":"C15H12O3","Molecular Weight":240.25,"Monoisotopic Mass":240.07864425,Charge:0,"Easy Name":"Flavanonol","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O3"},148119:{PUBCHEM:{CID:"148119","Compound Complexity":54,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Piperidin-3-amine","IUPAC Name CAS-like Style":"3-piperidinamine","IUPAC Name Markup":"Piperidin-3-amine","IUPAC Name Preferred":"Piperidin-3-amine","IUPAC Name Systematic":"Piperidin-3-amine","IUPAC Name Traditional":"3-piperidylamine",InChI:"1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2",InChIKey:"PEUGKEHLRUVPAN-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":100.1000484,"Molecular Formula":"C5H12N2","Molecular Weight":100.16,"Monoisotopic Mass":100.1000484,Charge:0,"Easy Name":"3-Aminopiperdine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C5H12N2"},148297:{PUBCHEM:{CID:"148297","Compound Complexity":535,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"8-hydroxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name CAS-like Style":"8-hydroxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid","IUPAC Name Markup":"8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Preferred":"8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Systematic":"6-nitro-8-oxidanyl-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Traditional":"8-hydroxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid",InChI:"1S/C16H9NO7/c18-11-3-1-2-7-8(11)4-10(17(21)22)13-9(16(19)20)5-12-15(14(7)13)24-6-23-12/h1-5,18H,6H2,(H,19,20)",InChIKey:"LGZIKBZSCRORQN-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":327.03790163,"Molecular Formula":"C16H9NO7","Molecular Weight":327.24,"Monoisotopic Mass":327.03790163,Charge:0,"Easy Name":"Aristolochic acid Ia","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C16H9N1O7"},150167:{PUBCHEM:{CID:"150167","Compound Complexity":8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tripotassium;arsorite","IUPAC Name CAS-like Style":"Tripotassium;arsorite","IUPAC Name Markup":"Tripotassium;arsorite","IUPAC Name Preferred":"Tripotassium;arsorite","IUPAC Name Systematic":"Tripotassium;arsorite","IUPAC Name Traditional":"Tripotassium;arsorite",InChI:"1S/AsO3.3K/c2-1(3)4;;;/q-3;3*+1",InChIKey:"OZYUYLWHROWIFJ-UHFFFAOYSA-N","Exact Mass":239.797458,"Molecular Formula":"AsK3O3","Molecular Weight":240.215,"Monoisotopic Mass":239.797458,Charge:0,"Easy Name":"Tripotassium arsenite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White powder"},Solubility:{Value:"Soluble in water; slightly soluble in alcohol"},Uses:{Value:"Potassium arsenite (USEPA/OPP Pesticide Code: 013605) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"As1K3O3"},150168:{PUBCHEM:{CID:"150168","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;platinum(4+);tetrachloride","IUPAC Name CAS-like Style":"Ammonia;platinum(4+);tetrachloride","IUPAC Name Markup":"Azane;platinum(4+);tetrachloride","IUPAC Name Preferred":"Azane;platinum(4+);tetrachloride","IUPAC Name Systematic":"Azane;platinum(4+);tetrachloride","IUPAC Name Traditional":"Ammonia;platinum(4+);tetrachloride",InChI:"1S/4ClH.2H3N.Pt/h4*1H;2*1H3;/q;;;;;;+4/p-4",InChIKey:"RBHOYUZKIANPPG-UHFFFAOYSA-J","Exact Mass":370.890353,"Molecular Formula":"Cl4H6N2Pt","Molecular Weight":371,"Monoisotopic Mass":368.893303,Charge:0,"Easy Name":"Cis-diammineplatinum (IV) tetrachloride","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl4H6N2Pt1"},150192:{PUBCHEM:{CID:"150192","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;selenite","IUPAC Name CAS-like Style":"Dipotassium;selenite","IUPAC Name Markup":"Dipotassium;selenite","IUPAC Name Preferred":"Dipotassium;selenite","IUPAC Name Systematic":"Dipotassium;selenite","IUPAC Name Traditional":"Dipotassium;selenite",InChI:"1S/2K.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",InChIKey:"RNGFNLJMTFPHBS-UHFFFAOYSA-L","Exact Mass":205.82868,"Molecular Formula":"K2O3Se","Molecular Weight":205.17,"Monoisotopic Mass":205.82868,Charge:0,"Easy Name":"Dipotassium selenite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K2O3Se1"},150303:{PUBCHEM:{CID:"150303","Compound Complexity":82.6,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;trisodium;dioxido-oxo-thioxo-lambda6-sulfane","IUPAC Name CAS-like Style":"Silver;trisodium;dioxido-oxo-sulfanylidene-lambda6-sulfane","IUPAC Name Markup":"Silver;trisodium;dioxido-oxo-sulfanylidene-λ6-sulfane","IUPAC Name Preferred":"Silver;trisodium;dioxido-oxo-sulfanylidene-lambda6-sulfane","IUPAC Name Systematic":"Silver;trisodium;bis(oxidanidyl)-oxidanylidene-sulfanylidene-lambda6-sulfane","IUPAC Name Traditional":"Silver;trisodium;keto-dioxido-thioxo-lambda6-sulfane",InChI:"1S/Ag.3Na.2H2O3S2/c;;;;2*1-5(2,3)4/h;;;;2*(H2,1,2,3,4)/q4*+1;;/p-4",InChIKey:"XXAQKQFXTTXLEW-UHFFFAOYSA-J","Exact Mass":399.73217,"Molecular Formula":"AgNa3O6S4","Molecular Weight":401.1,"Monoisotopic Mass":399.73217,Charge:0,"Easy Name":"Sodium dithiosulfatoargentate (I)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Ag1Na3O6S4"},150789:{PUBCHEM:{CID:"150789","Compound Complexity":299,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Anthracene-1-carboxylic acid","IUPAC Name CAS-like Style":"1-anthracenecarboxylic acid","IUPAC Name Markup":"Anthracene-1-carboxylic acid","IUPAC Name Preferred":"Anthracene-1-carboxylic acid","IUPAC Name Systematic":"Anthracene-1-carboxylic acid","IUPAC Name Traditional":"Anthracene-1-carboxylic acid",InChI:"1S/C15H10O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H,16,17)",InChIKey:"CCFAKBRKTKVJPO-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":222.068079562,"Molecular Formula":"C15H10O2","Molecular Weight":222.24,"Monoisotopic Mass":222.068079562,Charge:0,"Easy Name":"1-Anthracenecarboxylic Acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C15H10O2"},150833:{PUBCHEM:{CID:"150833","Compound Complexity":99.1,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbamoylcarbamic acid","IUPAC Name CAS-like Style":"Carbamoylcarbamic acid","IUPAC Name Markup":"Carbamoylcarbamic acid","IUPAC Name Preferred":"Carbamoylcarbamic acid","IUPAC Name Systematic":"Aminocarbonylcarbamic acid","IUPAC Name Traditional":"Allophanic acid",InChI:"1S/C2H4N2O3/c3-1(5)4-2(6)7/h(H,6,7)(H3,3,4,5)",InChIKey:"AVWRKZWQTYIKIY-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":104.022191997,"Molecular Formula":"C2H4N2O3","Molecular Weight":104.07,"Monoisotopic Mass":104.022191997,Charge:0,"Easy Name":"Allophanic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C2H4N2O3"},150885:{PUBCHEM:{CID:"150885","Compound Complexity":186,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"3-[2-(methylamino)ethyl]-1H-indol-5-ol","IUPAC Name CAS-like Style":"3-[2-(methylamino)ethyl]-1H-indol-5-ol","IUPAC Name Markup":"3-[2-(methylamino)ethyl]-1H-indol-5-ol","IUPAC Name Preferred":"3-[2-(methylamino)ethyl]-1H-indol-5-ol","IUPAC Name Systematic":"3-[2-(methylamino)ethyl]-1H-indol-5-ol","IUPAC Name Traditional":"3-[2-(methylamino)ethyl]-1H-indol-5-ol",InChI:"1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3",InChIKey:"ASUSBMNYRHGZIG-UHFFFAOYSA-N","Log P":.7,"Exact Mass":190.11061308,"Molecular Formula":"C11H14N2O","Molecular Weight":190.24,"Monoisotopic Mass":190.11061308,Charge:0,"Easy Name":"N-Methylserotonin","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C11H14N2O1"},150906:{PUBCHEM:{CID:"150906","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lanthanum(3+);oxygen(2-)","IUPAC Name CAS-like Style":"Lanthanum(3+);oxygen(2-)","IUPAC Name Markup":"Lanthanum(3+);oxygen(2-)","IUPAC Name Preferred":"Lanthanum(3+);oxygen(2-)","IUPAC Name Systematic":"Lanthanum(3+);oxygen(2-)","IUPAC Name Traditional":"Lanthanum(3+);oxygen(2-)",InChI:"1S/2La.3O/q2*+3;3*-2",InChIKey:"MRELNEQAGSRDBK-UHFFFAOYSA-N","Exact Mass":325.79746,"Molecular Formula":"La2O3","Molecular Weight":325.809,"Monoisotopic Mass":325.79746,Charge:0,"Easy Name":"Lanthanum oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"La2O3"},151024:{PUBCHEM:{CID:"151024","Compound Complexity":194,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"9-oxodec-2-enoic acid","IUPAC Name CAS-like Style":"9-oxo-2-decenoic acid","IUPAC Name Markup":"9-oxodec-2-enoic acid","IUPAC Name Preferred":"9-oxodec-2-enoic acid","IUPAC Name Systematic":"9-oxidanylidenedec-2-enoic acid","IUPAC Name Traditional":"9-ketodec-2-enoic acid",InChI:"1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)",InChIKey:"INJRDZMWIAYEMM-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":184.10994437,"Molecular Formula":"C10H16O3","Molecular Weight":184.23,"Monoisotopic Mass":184.10994437,Charge:0,"Easy Name":"9-keto-2-decenoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O3"},151085:{PUBCHEM:{CID:"151085","Compound Complexity":37.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Pentane-1,3-diol","IUPAC Name CAS-like Style":"Pentane-1,3-diol","IUPAC Name Markup":"Pentane-1,3-diol","IUPAC Name Preferred":"Pentane-1,3-diol","IUPAC Name Systematic":"Pentane-1,3-diol","IUPAC Name Traditional":"Pentane-1,3-diol",InChI:"1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3",InChIKey:"RUOPINZRYMFPBF-UHFFFAOYSA-N","Log P":.2,"Exact Mass":104.08372963,"Molecular Formula":"C5H12O2","Molecular Weight":104.15,"Monoisotopic Mass":104.08372963,Charge:0,"Easy Name":"1, 3-pentanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O2"},151261:{PUBCHEM:{CID:"151261","Compound Complexity":113,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one","IUPAC Name CAS-like Style":"(3R,4R)-1,3,4,5-tetrahydroxy-2-pentanone","IUPAC Name Markup":"(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one","IUPAC Name Preferred":"(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one","IUPAC Name Systematic":"(3R,4R)-1,3,4,5-tetrakis(oxidanyl)pentan-2-one","IUPAC Name Traditional":"(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one",InChI:"1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1",InChIKey:"ZAQJHHRNXZUBTE-NQXXGFSBSA-N","Log P":-2.6,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"D-Ribulose","Easy Category":"Monosaccharide"},HSDB:{},ReducedFormula:"C5H10O5"},151466:{PUBCHEM:{CID:"151466","Compound Complexity":142,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial","IUPAC Name CAS-like Style":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial","IUPAC Name Markup":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial","IUPAC Name Preferred":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial","IUPAC Name Systematic":"(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanethial","IUPAC Name Traditional":"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial",InChI:"1S/C6H12O5S/c7-1-3(8)5(10)6(11)4(9)2-12/h2-11H,1H2/t3-,4+,5-,6-/m1/s1",InChIKey:"ABXYOVCSAGTJAC-JGWLITMVSA-N","Log P":-2.3,"Exact Mass":196.04054466,"Molecular Formula":"C6H12O5S","Molecular Weight":196.22,"Monoisotopic Mass":196.04054466,Charge:0,"Easy Name":"1-Thio-β-D-glucose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O5S1"},151488:{PUBCHEM:{CID:"151488","Compound Complexity":95.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;perchlorate","IUPAC Name CAS-like Style":"Lithium;perchlorate","IUPAC Name Markup":"Lithium;perchlorate","IUPAC Name Preferred":"Lithium;perchlorate","IUPAC Name Systematic":"Lithium;perchlorate","IUPAC Name Traditional":"Lithium;perchlorate",InChI:"1S/ClHO4.Li/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"MHCFAGZWMAWTNR-UHFFFAOYSA-M","Exact Mass":105.9645146,"Molecular Formula":"ClLiO4","Molecular Weight":106.4,"Monoisotopic Mass":105.9645146,Charge:0,"Easy Name":"Lithium perchlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1Li1O4"},151900:{PUBCHEM:{CID:"151900","Compound Complexity":119,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"1-(4-methylsulfanylphenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-[4-(methylthio)phenyl]-2-propanamine","IUPAC Name Markup":"1-(4-methylsulfanylphenyl)propan-2-amine","IUPAC Name Preferred":"1-(4-methylsulfanylphenyl)propan-2-amine","IUPAC Name Systematic":"1-(4-methylsulfanylphenyl)propan-2-amine","IUPAC Name Traditional":"[1-methyl-2-[4-(methylthio)phenyl]ethyl]amine",InChI:"1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3",InChIKey:"OLEWMKVPSUCNLG-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":181.09252066,"Molecular Formula":"C10H15NS","Molecular Weight":181.3,"Monoisotopic Mass":181.09252066,Charge:0,"Easy Name":"4-Methylthioamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C10H15N1S1"},151954:{PUBCHEM:{CID:"151954","Compound Complexity":177,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-(2,4,5-trimethoxyphenyl)ethanamine","IUPAC Name CAS-like Style":"2-(2,4,5-trimethoxyphenyl)ethanamine","IUPAC Name Markup":"2-(2,4,5-trimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(2,4,5-trimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(2,4,5-trimethoxyphenyl)ethanamine","IUPAC Name Traditional":"2-asarylethylamine",InChI:"1S/C11H17NO3/c1-13-9-7-11(15-3)10(14-2)6-8(9)4-5-12/h6-7H,4-5,12H2,1-3H3",InChIKey:"GKATTZLSNLYADI-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":211.12084341,"Molecular Formula":"C11H17NO3","Molecular Weight":211.26,"Monoisotopic Mass":211.12084341,Charge:0,"Easy Name":"2C-O","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C11H17N1O3"},152838:{PUBCHEM:{CID:"152838","Compound Complexity":674,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde","IUPAC Name CAS-like Style":"8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-[1]benzopyrano[6,7-b][1,4]benzodioxepin-7-carboxaldehyde","IUPAC Name Markup":"8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde","IUPAC Name Preferred":"8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde","IUPAC Name Systematic":"2,2,5,10-tetramethyl-8-oxidanyl-4,11-bis(oxidanylidene)-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde","IUPAC Name Traditional":"8-hydroxy-4,11-diketo-2,2,5,10-tetramethyl-3H-chromeno[6,7-b][1,4]benzodioxepin-7-carbaldehyde",InChI:"1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)26-15-6-14-17(10(2)18(15)27-19)13(24)7-21(3,4)28-14/h5-6,8,23H,7H2,1-4H3",InChIKey:"UGFXPOLXTFFCRX-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":382.10525292,"Molecular Formula":"C21H18O7","Molecular Weight":382.4,"Monoisotopic Mass":382.10525292,Charge:0,"Easy Name":"Mollicellin A","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C21H18O7"},152839:{PUBCHEM:{CID:"152839","Compound Complexity":674,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde","IUPAC Name CAS-like Style":"10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3H-[1]benzopyrano[7,6-b][1,4]benzodioxepin-11-carboxaldehyde","IUPAC Name Markup":"10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde","IUPAC Name Preferred":"10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde","IUPAC Name Systematic":"2,2,5,8-tetramethyl-10-oxidanyl-4,7-bis(oxidanylidene)-3H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde","IUPAC Name Traditional":"10-hydroxy-4,7-diketo-2,2,5,8-tetramethyl-3H-chromeno[7,6-b][1,4]benzodioxepin-11-carbaldehyde",InChI:"1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)27-18-10(2)17-13(24)7-21(3,4)28-14(17)6-15(18)26-19/h5-6,8,23H,7H2,1-4H3",InChIKey:"OMOOHFQAZTVBPK-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":382.10525292,"Molecular Formula":"C21H18O7","Molecular Weight":382.4,"Monoisotopic Mass":382.10525292,Charge:0,"Easy Name":"Mollicellin B","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C21H18O7"},152925:{PUBCHEM:{CID:"152925","Compound Complexity":18.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1,1-dibromopropane","IUPAC Name CAS-like Style":"1,1-dibromopropane","IUPAC Name Markup":"1,1-dibromopropane","IUPAC Name Preferred":"1,1-dibromopropane","IUPAC Name Systematic":"1,1-bis(bromanyl)propane","IUPAC Name Traditional":"1,1-dibromopropane",InChI:"1S/C3H6Br2/c1-2-3(4)5/h3H,2H2,1H3",InChIKey:"ATWLRNODAYAMQS-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":201.88158,"Molecular Formula":"C3H6Br2","Molecular Weight":201.89,"Monoisotopic Mass":199.88363,Charge:0,"Easy Name":"Dibromopropane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C3H6"},153311:{PUBCHEM:{CID:"153311","Compound Complexity":418,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"[(1S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenyl-propanoate","IUPAC Name CAS-like Style":"(2S)-3-hydroxy-2-phenylpropanoic acid [(1S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] ester","IUPAC Name Markup":"[(1S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate","IUPAC Name Preferred":"[(1S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate","IUPAC Name Systematic":"[(1S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-oxidanyl-2-phenyl-propanoate","IUPAC Name Traditional":"(2S)-3-hydroxy-2-phenyl-propionic acid [(1S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] ester",InChI:"1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15?,16?/m1/s1",InChIKey:"STECJAGHUSJQJN-MKXJHAPZSA-N","Log P":.9,"Exact Mass":303.14705816,"Molecular Formula":"C17H21NO4","Molecular Weight":303.35,"Monoisotopic Mass":303.14705816,Charge:0,"Easy Name":"Scopolamine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Viscous liquid"},"Melting Point":{Value:"59 °C"},Solubility:{Value:"Sol in 9.5 parts water at 15 °C; freely sol in alcohol, ether, chloroform, acetone; sparingly sol in benzene, petroleum ether"},Uses:{Value:"To prevent nausea and vomiting associated with motion sickness"},"Vapor Pressure":{Value:"7.18X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C17H21N1O4"},153909:{PUBCHEM:{CID:"153909","Compound Complexity":639,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoate","IUPAC Name CAS-like Style":"2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylamino]-oxomethyl]sulfamoyl]benzoic acid methyl ester","IUPAC Name Markup":"Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate","IUPAC Name Preferred":"Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate","IUPAC Name Systematic":"Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoate","IUPAC Name Traditional":"2-[[(4-methoxy-6-methyl-s-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoic acid methyl ester",InChI:"1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)",InChIKey:"VLCQZHSMCYCDJL-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":395.08995446,"Molecular Formula":"C15H17N5O6S","Molecular Weight":395.4,"Monoisotopic Mass":395.08995446,Charge:0,"Easy Name":"Tribenuron-methyl","Easy Category":"Herbicide"},HSDB:{"Color And Form":{Value:"Off-white powder"},Density:{Value:"1.46 at 20 °C"},Odor:{Value:"Slightly pungent odor"},Solubility:{Value:"Low solubility in organic solvents"},Uses:{Value:"For tribenuron-methyl (USEPA/OPP Pesticide Code: 128887) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"3.9X10-10 mm Hg at 25 °C"}},ReducedFormula:"C15H17N5O6S1"},155160:{PUBCHEM:{CID:"155160","Compound Complexity":339,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"4-allyl-2-(3-allyl-4-methoxy-phenyl)phenol","IUPAC Name CAS-like Style":"2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol","IUPAC Name Markup":"2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol","IUPAC Name Preferred":"2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol","IUPAC Name Systematic":"2-(4-methoxy-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol","IUPAC Name Traditional":"4-allyl-2-(3-allyl-4-methoxy-phenyl)phenol",InChI:"1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3",InChIKey:"OQFHJKZVOALSPV-UHFFFAOYSA-N","Log P":5.3,"Exact Mass":280.14632988,"Molecular Formula":"C19H20O2","Molecular Weight":280.4,"Monoisotopic Mass":280.14632988,Charge:0,"Easy Name":"4-O-Methylhonokiol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C19H20O2"},155735:{PUBCHEM:{CID:"155735","Compound Complexity":378,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"5-(3-hydroxybutanoyl)-4-methoxy-6-methyl-pyran-2-one","IUPAC Name CAS-like Style":"5-(3-hydroxy-1-oxobutyl)-4-methoxy-6-methyl-2-pyranone","IUPAC Name Markup":"5-(3-hydroxybutanoyl)-4-methoxy-6-methylpyran-2-one","IUPAC Name Preferred":"5-(3-hydroxybutanoyl)-4-methoxy-6-methylpyran-2-one","IUPAC Name Systematic":"4-methoxy-6-methyl-5-(3-oxidanylbutanoyl)pyran-2-one","IUPAC Name Traditional":"5-(3-hydroxybutanoyl)-4-methoxy-6-methyl-pyran-2-one",InChI:"1S/C11H14O5/c1-6(12)4-8(13)11-7(2)16-10(14)5-9(11)15-3/h5-6,12H,4H2,1-3H3",InChIKey:"NXDGLHJHHJJTSZ-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":226.08412355,"Molecular Formula":"C11H14O5","Molecular Weight":226.23,"Monoisotopic Mass":226.08412355,Charge:0,"Easy Name":"5- (3-Hydroxybutanoyl)-4-methoxy-6-methyl-2H-pyran-2-one","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C11H14O5"},159259:{PUBCHEM:{CID:"159259","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lanthanum(3+);trisulfate","IUPAC Name CAS-like Style":"Lanthanum(3+);trisulfate","IUPAC Name Markup":"Lanthanum(3+);trisulfate","IUPAC Name Preferred":"Lanthanum(3+);trisulfate","IUPAC Name Systematic":"Lanthanum(3+);trisulfate","IUPAC Name Traditional":"Lanthanum(3+);trisulfate",InChI:"1S/2La.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"VQEHIYWBGOJJDM-UHFFFAOYSA-H","Exact Mass":565.66791,"Molecular Formula":"La2O12S3","Molecular Weight":566,"Monoisotopic Mass":565.66791,Charge:0,"Easy Name":"Lanthanum sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"La2O12S3"},159274:{PUBCHEM:{CID:"159274","Compound Complexity":26.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;sulfurous acid","IUPAC Name CAS-like Style":"Calcium;sulfurous acid","IUPAC Name Markup":"Calcium;sulfurous acid","IUPAC Name Preferred":"Calcium;sulfurous acid","IUPAC Name Systematic":"Calcium;sulfurous acid","IUPAC Name Traditional":"Calcium;sulfurous acid",InChI:"1S/Ca.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;",InChIKey:"GBAOBIBJACZTNA-UHFFFAOYSA-N","Exact Mass":121.935056,"Molecular Formula":"CaH2O3S+2","Molecular Weight":122.16,"Monoisotopic Mass":121.935056,Charge:2,"Easy Name":"Calcium sulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"+2Ca1H2O3S1"},159282:{PUBCHEM:{CID:"159282","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Triammonium;phosphate","IUPAC Name CAS-like Style":"Triammonium;phosphate","IUPAC Name Markup":"Triazanium;phosphate","IUPAC Name Preferred":"Triazanium;phosphate","IUPAC Name Systematic":"Triazanium;phosphate","IUPAC Name Traditional":"Triammonium;phosphate",InChI:"1S/3H3N.H3O4P/c;;;1-5(2,3)4/h3*1H3;(H3,1,2,3,4)",InChIKey:"ZRIUUUJAJJNDSS-UHFFFAOYSA-N","Exact Mass":149.05654288,"Molecular Formula":"H12N3O4P","Molecular Weight":149.09,"Monoisotopic Mass":149.05654288,Charge:0,"Easy Name":"Ammonium phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H12N3O4P1"},159283:{PUBCHEM:{CID:"159283","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Yttrium(3+);trinitrate","IUPAC Name CAS-like Style":"Yttrium(3+);trinitrate","IUPAC Name Markup":"Yttrium(3+);trinitrate","IUPAC Name Preferred":"Yttrium(3+);trinitrate","IUPAC Name Systematic":"Yttrium(3+);trinitrate","IUPAC Name Traditional":"Yttrium(3+);trinitrate",InChI:"1S/3NO3.Y/c3*2-1(3)4;/q3*-1;+3",InChIKey:"BXJPTTGFESFXJU-UHFFFAOYSA-N","Exact Mass":274.86929,"Molecular Formula":"N3O9Y","Molecular Weight":274.92,"Monoisotopic Mass":274.86929,Charge:0,"Easy Name":"Yttrium nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"N3O9Y1"},159287:{PUBCHEM:{CID:"159287","Compound Complexity":406,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(4-hydroxy-3,5-dimethoxy-phenyl)chromenylium-3,5,7-triol","IUPAC Name CAS-like Style":"2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3,5,7-triol","IUPAC Name Markup":"2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol","IUPAC Name Preferred":"2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol","IUPAC Name Systematic":"2-(3,5-dimethoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol","IUPAC Name Traditional":"2-(4-hydroxy-3,5-dimethoxy-phenyl)-1-benzopyrylium-3,5,7-triol",InChI:"1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",InChIKey:"KZMACGJDUUWFCH-UHFFFAOYSA-O","Exact Mass":331.08177782,"Molecular Formula":"C17H15O7+","Molecular Weight":331.3,"Monoisotopic Mass":331.08177782,Charge:1,"Easy Name":"Malvidin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"+1C17H15O7"},159371:{PUBCHEM:{CID:"159371","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(3+);oxygen(2-)","IUPAC Name CAS-like Style":"Europium(3+);oxygen(2-)","IUPAC Name Markup":"Europium(3+);oxygen(2-)","IUPAC Name Preferred":"Europium(3+);oxygen(2-)","IUPAC Name Systematic":"Europium(3+);oxygen(2-)","IUPAC Name Traditional":"Europium(3+);oxygen(2-)",InChI:"1S/2Eu.3O/q2*+3;3*-2",InChIKey:"AEBZCFFCDTZXHP-UHFFFAOYSA-N","Exact Mass":351.82584,"Molecular Formula":"Eu2O3","Molecular Weight":351.93,"Monoisotopic Mass":353.82722,Charge:0,"Easy Name":"Europium (III) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Eu2O3"},159376:{PUBCHEM:{CID:"159376","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(1+);sulfide","IUPAC Name CAS-like Style":"Thallium(1+);sulfide","IUPAC Name Markup":"Thallium(1+);sulfide","IUPAC Name Preferred":"Thallium(1+);sulfide","IUPAC Name Systematic":"Thallium(1+);sulfide","IUPAC Name Traditional":"Thallium(1+);sulfide",InChI:"1S/S.2Tl/q-2;2*+1",InChIKey:"BXJGLLKRUQQYTC-UHFFFAOYSA-N","Exact Mass":441.92093,"Molecular Formula":"STl2","Molecular Weight":440.83,"Monoisotopic Mass":441.92093,Charge:0,"Easy Name":"Thallium (I) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"S1Tl2"},159381:{PUBCHEM:{CID:"159381","Compound Complexity":62.2,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;hydroxide;sulfate","IUPAC Name CAS-like Style":"Aluminum;hydroxide;sulfate","IUPAC Name Markup":"Aluminum;hydroxide;sulfate","IUPAC Name Preferred":"Aluminum;hydroxide;sulfate","IUPAC Name Systematic":"Aluminum;hydroxide;sulfate","IUPAC Name Traditional":"Aluminum;hydroxide;sulfate",InChI:"1S/Al.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+3;;/p-3",InChIKey:"STNCDALPBBWSTC-UHFFFAOYSA-K","Exact Mass":139.9360077,"Molecular Formula":"AlHO5S","Molecular Weight":140.05,"Monoisotopic Mass":139.9360077,Charge:0,"Easy Name":"Aluminum Hydroxide Sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Al1H1O5S1"},159397:{PUBCHEM:{CID:"159397","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichromic;trisulfide","IUPAC Name CAS-like Style":"Chromium(3+);trisulfide","IUPAC Name Markup":"Chromium(3+);trisulfide","IUPAC Name Preferred":"Chromium(3+);trisulfide","IUPAC Name Systematic":"Chromium(3+);trisulfide","IUPAC Name Traditional":"Dichromic;trisulfide",InChI:"1S/2Cr.3S/q2*+3;3*-2",InChIKey:"DBULDCSVZCUQIR-UHFFFAOYSA-N","Exact Mass":199.797224,"Molecular Formula":"Cr2S3","Molecular Weight":200.2,"Monoisotopic Mass":199.797224,Charge:0,"Easy Name":"Chromium (III) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr2S3"},159402:{PUBCHEM:{CID:"159402","Compound Complexity":124,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iodyl iodate","IUPAC Name CAS-like Style":"Iodic acid iodyl ester","IUPAC Name Markup":"Iodyl iodate","IUPAC Name Preferred":"Iodyl iodate","IUPAC Name Systematic":"Iodyl iodate","IUPAC Name Traditional":"Iodic acid iodyl ester",InChI:"1S/I2O5/c3-1(4)7-2(5)6",InChIKey:"BIZCJSDBWZTASZ-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":333.78352,"Molecular Formula":"I2O5","Molecular Weight":333.81,"Monoisotopic Mass":333.78352,Charge:0,"Easy Name":"Iodine pentoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"I2O5"},159403:{PUBCHEM:{CID:"159403","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;oxygen(2-);titanium(4+)","IUPAC Name CAS-like Style":"Dipotassium;oxygen(2-);titanium(4+)","IUPAC Name Markup":"Dipotassium;oxygen(2-);titanium(4+)","IUPAC Name Preferred":"Dipotassium;oxygen(2-);titanium(4+)","IUPAC Name Systematic":"Dipotassium;oxygen(2-);titanium(4+)","IUPAC Name Traditional":"Dipotassium;oxygen(2-);titanium(4+)",InChI:"1S/2K.3O.Ti/q2*+1;3*-2;+4",InChIKey:"KEWYKJOOCFOYTD-UHFFFAOYSA-N","Exact Mass":173.860098,"Molecular Formula":"K2O3Ti","Molecular Weight":174.06,"Monoisotopic Mass":173.860098,Charge:0,"Easy Name":"Dipotassium;oxygen (2-);titanium (4+)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K2O3Ti1"},159405:{PUBCHEM:{CID:"159405","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;oxygen(2-);tantalum(5+)","IUPAC Name CAS-like Style":"Lithium;oxygen(2-);tantalum(5+)","IUPAC Name Markup":"Lithium;oxygen(2-);tantalum(5+)","IUPAC Name Preferred":"Lithium;oxygen(2-);tantalum(5+)","IUPAC Name Systematic":"Lithium;oxygen(2-);tantalum(5+)","IUPAC Name Traditional":"Lithium;oxygen(2-);tantalum(5+)",InChI:"1S/Li.3O.Ta/q+1;3*-2;+5",InChIKey:"JNQQEOHHHGGZCY-UHFFFAOYSA-N","Exact Mass":235.94875,"Molecular Formula":"LiO3Ta","Molecular Weight":235.9,"Monoisotopic Mass":235.94875,Charge:0,"Easy Name":"Lithium tantalate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Li1O3Ta1"},159409:{PUBCHEM:{CID:"159409","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxygen(2-);rhodium(3+)","IUPAC Name CAS-like Style":"Oxygen(2-);rhodium(3+)","IUPAC Name Markup":"Oxygen(2-);rhodium(3+)","IUPAC Name Preferred":"Oxygen(2-);rhodium(3+)","IUPAC Name Systematic":"Oxygen(2-);rhodium(3+)","IUPAC Name Traditional":"Oxygen(2-);rhodium(3+)",InChI:"1S/3O.2Rh/q3*-2;2*+3",InChIKey:"XBBXDTCPEWHXKL-UHFFFAOYSA-N","Exact Mass":253.79573,"Molecular Formula":"O3Rh2","Molecular Weight":253.809,"Monoisotopic Mass":253.79573,Charge:0,"Easy Name":"Rhodium (III) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O3Rh2"},159414:{PUBCHEM:{CID:"159414","Compound Complexity":0,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rhenium;heptasulfide","IUPAC Name CAS-like Style":"Rhenium;heptasulfide","IUPAC Name Markup":"Rhenium;heptasulfide","IUPAC Name Preferred":"Rhenium;heptasulfide","IUPAC Name Systematic":"Rhenium;heptasulfide","IUPAC Name Traditional":"Rhenium;heptasulfide",InChI:"1S/2Re.7S/q;;7*-2",InChIKey:"USBWXQYIYZPMMN-UHFFFAOYSA-N","Exact Mass":595.71321,"Molecular Formula":"Re2S7-14","Molecular Weight":596.9,"Monoisotopic Mass":597.716,Charge:-14,"Easy Name":"Rhenium (VII) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-14Re2S7"},159457:{PUBCHEM:{CID:"159457","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hafnium;hydride","IUPAC Name CAS-like Style":"Hafnium;hydride","IUPAC Name Markup":"Hafnium;hydride","IUPAC Name Preferred":"Hafnium;hydride","IUPAC Name Systematic":"Hafnium;hydride","IUPAC Name Traditional":"Hafnium;hydride",InChI:"1S/Hf.2H/q;2*-1",InChIKey:"AYGFBBAXRCHZSC-UHFFFAOYSA-N","Exact Mass":181.96221,"Molecular Formula":"H2Hf-2","Molecular Weight":180.5,"Monoisotopic Mass":181.96221,Charge:-2,"Easy Name":"Hafnium (II) hydride","Easy Category":"Hydride"},HSDB:{},ReducedFormula:"-2H2Hf1"},159458:{PUBCHEM:{CID:"159458","Compound Complexity":46.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;sodium;hydrogen phosphate","IUPAC Name CAS-like Style":"Ammonium;sodium;hydrogen phosphate","IUPAC Name Markup":"Azanium;sodium;hydrogen phosphate","IUPAC Name Preferred":"Azanium;sodium;hydrogen phosphate","IUPAC Name Systematic":"Azanium;sodium;hydrogen phosphate","IUPAC Name Traditional":"Ammonium;sodium;hydrogen phosphate",InChI:"1S/H3N.Na.H3O4P/c;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q;+1;/p-1",InChIKey:"CUXQLKLUPGTTKL-UHFFFAOYSA-M","Exact Mass":136.98538892,"Molecular Formula":"H5NNaO4P","Molecular Weight":137.008,"Monoisotopic Mass":136.98538892,Charge:0,"Easy Name":"Microcosmic salt","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"H5N1Na1O4P1"},159674:{PUBCHEM:{CID:"159674","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cerium(3+);trisulfate","IUPAC Name CAS-like Style":"Cerium(3+);trisulfate","IUPAC Name Markup":"Cerium(3+);trisulfate","IUPAC Name Preferred":"Cerium(3+);trisulfate","IUPAC Name Systematic":"Cerium(3+);trisulfate","IUPAC Name Traditional":"Cerium(3+);trisulfate",InChI:"1S/2Ce.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"OZECDDHOAMNMQI-UHFFFAOYSA-H","Exact Mass":567.66608,"Molecular Formula":"Ce2O12S3","Molecular Weight":568.4,"Monoisotopic Mass":567.66608,Charge:0,"Easy Name":"Cerium (III) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ce2O12S3"},159677:{PUBCHEM:{CID:"159677","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;oxygen(2-);vanadium","IUPAC Name CAS-like Style":"Sodium;oxygen(2-);vanadium","IUPAC Name Markup":"Sodium;oxygen(2-);vanadium","IUPAC Name Preferred":"Sodium;oxygen(2-);vanadium","IUPAC Name Systematic":"Sodium;oxygen(2-);vanadium","IUPAC Name Traditional":"Sodium;oxygen(2-);vanadium",InChI:"1S/Na.3O.V/q+1;3*-2;",InChIKey:"CJIBFKFMPFFOGM-UHFFFAOYSA-N","Exact Mass":121.91847,"Molecular Formula":"NaO3V-5","Molecular Weight":121.929,"Monoisotopic Mass":121.91847,Charge:-5,"Easy Name":"Sodium paravanadate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-5Na1O3V1"},159684:{PUBCHEM:{CID:"159684","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cerium(4+);disulfate","IUPAC Name CAS-like Style":"Cerium(4+);disulfate","IUPAC Name Markup":"Cerium(4+);disulfate","IUPAC Name Preferred":"Cerium(4+);disulfate","IUPAC Name Systematic":"Cerium(4+);disulfate","IUPAC Name Traditional":"Cerium(4+);disulfate",InChI:"1S/Ce.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+4;;/p-4",InChIKey:"VZDYWEUILIUIDF-UHFFFAOYSA-J","Exact Mass":331.80891,"Molecular Formula":"CeO8S2","Molecular Weight":332.2,"Monoisotopic Mass":331.80891,Charge:0,"Easy Name":"Cerium (IV) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ce1O8S2"},159685:{PUBCHEM:{CID:"159685","Compound Complexity":18.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;sulfite","IUPAC Name CAS-like Style":"Zinc;sulfite","IUPAC Name Markup":"Zinc;sulfite","IUPAC Name Preferred":"Zinc;sulfite","IUPAC Name Systematic":"Zinc;sulfite","IUPAC Name Traditional":"Zinc;sulfite",InChI:"1S/H2O3S.Zn/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2",InChIKey:"HSYFJDYGOJKZCL-UHFFFAOYSA-L","Exact Mass":143.885957,"Molecular Formula":"O3SZn","Molecular Weight":145.4,"Monoisotopic Mass":143.885957,Charge:0,"Easy Name":"Zinc sulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O3S1Zn1"},159690:{PUBCHEM:{CID:"159690","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(3+);trinitrate","IUPAC Name CAS-like Style":"Thallium(3+);trinitrate","IUPAC Name Markup":"Thallium(3+);trinitrate","IUPAC Name Preferred":"Thallium(3+);trinitrate","IUPAC Name Systematic":"Thallium(3+);trinitrate","IUPAC Name Traditional":"Thallium(3+);trinitrate",InChI:"1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3",InChIKey:"KLBIUKJOZFWCLW-UHFFFAOYSA-N","Exact Mass":390.93788,"Molecular Formula":"N3O9Tl","Molecular Weight":390.4,"Monoisotopic Mass":390.93788,Charge:0,"Easy Name":"Thallium (III) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"N3O9Tl1"},159693:{PUBCHEM:{CID:"159693","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrazine;hydrobromide","IUPAC Name CAS-like Style":"Hydrazine;hydrobromide","IUPAC Name Markup":"Hydrazine;hydrobromide","IUPAC Name Preferred":"Hydrazine;hydrobromide","IUPAC Name Systematic":"Diazane;hydrobromide","IUPAC Name Traditional":"Hydrazine;hydrobromide",InChI:"1S/BrH.H4N2/c;1-2/h1H;1-2H2",InChIKey:"DVHXJLRODLTJOD-UHFFFAOYSA-N","Exact Mass":111.96361,"Molecular Formula":"BrH5N2","Molecular Weight":112.96,"Monoisotopic Mass":111.96361,Charge:0,"Easy Name":"Hydrazine hydrobromide (1:1)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1H5N2"},159694:{PUBCHEM:{CID:"159694","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lanthanum(3+);phosphate","IUPAC Name CAS-like Style":"Lanthanum(3+);phosphate","IUPAC Name Markup":"Lanthanum(3+);phosphate","IUPAC Name Preferred":"Lanthanum(3+);phosphate","IUPAC Name Systematic":"Lanthanum(3+);phosphate","IUPAC Name Traditional":"Lanthanum(3+);phosphate",InChI:"1S/La.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",InChIKey:"LQFNMFDUAPEJRY-UHFFFAOYSA-K","Exact Mass":233.85978,"Molecular Formula":"LaO4P","Molecular Weight":233.877,"Monoisotopic Mass":233.85978,Charge:0,"Easy Name":"Lanthanum phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"La1O4P1"},159695:{PUBCHEM:{CID:"159695","Compound Complexity":7.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dinitrite","IUPAC Name CAS-like Style":"Calcium;dinitrite","IUPAC Name Markup":"Calcium;dinitrite","IUPAC Name Preferred":"Calcium;dinitrite","IUPAC Name Systematic":"Calcium;dinitrite","IUPAC Name Traditional":"Calcium;dinitrite",InChI:"1S/Ca.2HNO2/c;2*2-1-3/h;2*(H,2,3)/q+2;;/p-2",InChIKey:"AONJRPXZCVADKF-UHFFFAOYSA-L","Exact Mass":131.9483974,"Molecular Formula":"CaN2O4","Molecular Weight":132.09,"Monoisotopic Mass":131.9483974,Charge:0,"Easy Name":"Calcium nitrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1N2O4"},159716:{PUBCHEM:{CID:"159716","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tripotassium;iridium(3+);hexachloride","IUPAC Name CAS-like Style":"Tripotassium;iridium(3+);hexachloride","IUPAC Name Markup":"Tripotassium;iridium(3+);hexachloride","IUPAC Name Preferred":"Tripotassium;iridium(3+);hexachloride","IUPAC Name Systematic":"Tripotassium;iridium(3+);hexachloride","IUPAC Name Traditional":"Tripotassium;iridium(3+);hexachloride",InChI:"1S/6ClH.Ir.3K/h6*1H;;;;/q;;;;;;+3;3*+1/p-6",InChIKey:"NZKWZUOYGAKOQC-UHFFFAOYSA-H","Exact Mass":521.66421,"Molecular Formula":"Cl6IrK3","Molecular Weight":522.2,"Monoisotopic Mass":519.66716,Charge:0,"Easy Name":"Potassium hexachloroiridate (III)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6Ir1K3"},159737:{PUBCHEM:{CID:"159737","Compound Complexity":36.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tristrontium;diphosphate","IUPAC Name CAS-like Style":"Tristrontium;diphosphate","IUPAC Name Markup":"Tristrontium;diphosphate","IUPAC Name Preferred":"Tristrontium;diphosphate","IUPAC Name Systematic":"Tristrontium;diphosphate","IUPAC Name Traditional":"Tristrontium;diphosphate",InChI:"1S/2H3O4P.3Sr/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;3*+2/p-6",InChIKey:"JOPDZQBPOWAEHC-UHFFFAOYSA-H","Exact Mass":453.6236777,"Molecular Formula":"O8P2Sr3","Molecular Weight":452.8,"Monoisotopic Mass":453.6236777,Charge:0,"Easy Name":"Strontium phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O8P2Sr3"},159767:{PUBCHEM:{CID:"159767","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;platinum(2+);dibromide","IUPAC Name CAS-like Style":"Ammonia;platinum(2+);dibromide","IUPAC Name Markup":"Azane;platinum(2+);dibromide","IUPAC Name Preferred":"Azane;platinum(2+);dibromide","IUPAC Name Systematic":"Azane;platinum(2+);dibromide","IUPAC Name Traditional":"Ammonia;platinum(2+);dibromide",InChI:"1S/2BrH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2",InChIKey:"MDCHSEPJLCWCPF-UHFFFAOYSA-L","Exact Mass":388.85252,"Molecular Formula":"Br2H6N2Pt","Molecular Weight":388.95,"Monoisotopic Mass":386.85457,Charge:0,"Easy Name":"Diammineplatinum dibromide","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Br2H6N2Pt1"},159805:{PUBCHEM:{CID:"159805","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;iridium;hexachloride","IUPAC Name CAS-like Style":"Disodium;iridium;hexachloride","IUPAC Name Markup":"Disodium;iridium;hexachloride","IUPAC Name Preferred":"Disodium;iridium;hexachloride","IUPAC Name Systematic":"Disodium;iridium;hexachloride","IUPAC Name Traditional":"Disodium;iridium;hexachloride",InChI:"1S/6ClH.Ir.2Na/h6*1H;;;/q;;;;;;;2*+1/p-6",InChIKey:"AKWSMDAQAYHBBV-UHFFFAOYSA-H","Exact Mass":450.75263,"Molecular Formula":"Cl6IrNa2-4","Molecular Weight":450.9,"Monoisotopic Mass":448.75558,Charge:-4,"Easy Name":"Disodium hexachloroiridate (2-)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-4Cl6Ir1Na2"},159811:{PUBCHEM:{CID:"159811","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Gold(3+);hydron;tetrabromide","IUPAC Name CAS-like Style":"Gold(3+);hydron;tetrabromide","IUPAC Name Markup":"Gold(3+);hydron;tetrabromide","IUPAC Name Preferred":"Gold(3+);hydron;tetrabromide","IUPAC Name Systematic":"Gold(3+);hydron;tetrabromide","IUPAC Name Traditional":"Gold(3+);hydron;tetrabromide",InChI:"1S/Au.4BrH/h;4*1H/q+3;;;;/p-3",InChIKey:"ISCGOTZIVSCDBJ-UHFFFAOYSA-K","Exact Mass":517.64365,"Molecular Formula":"AuBr4H","Molecular Weight":517.59,"Monoisotopic Mass":513.64775,Charge:0,"Easy Name":"Hydrogen tetrabromoaurate (III)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1Br4H1"},159836:{PUBCHEM:{CID:"159836","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dimagnesium;dipotassium;trisulfate","IUPAC Name CAS-like Style":"Dimagnesium;dipotassium;trisulfate","IUPAC Name Markup":"Dimagnesium;dipotassium;trisulfate","IUPAC Name Preferred":"Dimagnesium;dipotassium;trisulfate","IUPAC Name Systematic":"Dimagnesium;dipotassium;trisulfate","IUPAC Name Traditional":"Dimagnesium;dipotassium;trisulfate",InChI:"1S/2K.2Mg.3H2O4S/c;;;;3*1-5(2,3)4/h;;;;3*(H2,1,2,3,4)/q2*+1;2*+2;;;/p-6",InChIKey:"WZISDKTXHMETKG-UHFFFAOYSA-H","Exact Mass":413.7526853,"Molecular Formula":"K2Mg2O12S3","Molecular Weight":415,"Monoisotopic Mass":413.7526853,Charge:0,"Easy Name":"Magnesium potassium sulfate (2:2:3)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"K2Mg2O12S3"},159865:{PUBCHEM:{CID:"159865","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disilver;sulfate","IUPAC Name CAS-like Style":"Disilver;sulfate","IUPAC Name Markup":"Disilver;sulfate","IUPAC Name Preferred":"Disilver;sulfate","IUPAC Name Systematic":"Disilver;sulfate","IUPAC Name Traditional":"Disilver;sulfate",InChI:"1S/2Ag.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"YPNVIBVEFVRZPJ-UHFFFAOYSA-L","Exact Mass":311.76158,"Molecular Formula":"Ag2O4S","Molecular Weight":311.8,"Monoisotopic Mass":309.76191,Charge:0,"Easy Name":"Silver sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag2O4S1"},159913:{PUBCHEM:{CID:"159913","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisilver;phosphate","IUPAC Name CAS-like Style":"Trisilver;phosphate","IUPAC Name Markup":"Trisilver;phosphate","IUPAC Name Preferred":"Trisilver;phosphate","IUPAC Name Systematic":"Trisilver;phosphate","IUPAC Name Traditional":"Trisilver;phosphate",InChI:"1S/3Ag.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",InChIKey:"FJOLTQXXWSRAIX-UHFFFAOYSA-K","Exact Mass":417.66836,"Molecular Formula":"Ag3O4P","Molecular Weight":418.58,"Monoisotopic Mass":415.6687,Charge:0,"Easy Name":"Silver phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag3O4P1"},159940:{PUBCHEM:{CID:"159940","Compound Complexity":136,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/H2O5S2/c1-6(2)7(3,4)5/h(H,1,2)(H,3,4,5)/p-2",InChIKey:"WBZKQQHYRPRKNJ-UHFFFAOYSA-L","Log P":-2,"Exact Mass":143.91871545,"Molecular Formula":"O5S2-2","Molecular Weight":144.13,"Monoisotopic Mass":143.91871545,Charge:-2,"Easy Name":"Disulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-2O5S2"},160434:{PUBCHEM:{CID:"160434","Compound Complexity":118,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-hydroxybutanedioate","IUPAC Name CAS-like Style":"2-hydroxybutanedioate","IUPAC Name Markup":"2-hydroxybutanedioate","IUPAC Name Preferred":"2-hydroxybutanedioate","IUPAC Name Systematic":"2-oxidanylbutanedioate","IUPAC Name Traditional":"2-hydroxysuccinate",InChI:"1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2",InChIKey:"BJEPYKJPYRNKOW-UHFFFAOYSA-L","Log P":0,"Exact Mass":132.005873227,"Molecular Formula":"C4H4O5-2","Molecular Weight":132.07,"Monoisotopic Mass":132.005873227,Charge:-2,"Easy Name":"Malate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2C4H4O5"},160438:{PUBCHEM:{CID:"160438","Compound Complexity":25.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxirene","IUPAC Name CAS-like Style":"Oxirene","IUPAC Name Markup":"Oxirene","IUPAC Name Preferred":"Oxirene","IUPAC Name Systematic":"Oxirene","IUPAC Name Traditional":"Oxirene",InChI:"1S/C2H2O/c1-2-3-1/h1-2H",InChIKey:"BJEYNNFDAPPGST-UHFFFAOYSA-N","Log P":.1,"Exact Mass":42.010564684,"Molecular Formula":"C2H2O","Molecular Weight":42.04,"Monoisotopic Mass":42.010564684,Charge:0,"Easy Name":"Oxirene","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C2H2O1"},160497:{PUBCHEM:{CID:"160497","Compound Complexity":674,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"(1S,3R,8S,11S,12S,15R,16R)-15-[(1R)-1,5-dimethylhexyl]-7,7,12,16-tetramethyl-pentacyclo[9.7.0.01,3.03,8.012,16]octadecane","IUPAC Name CAS-like Style":"(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane","IUPAC Name Markup":"(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane","IUPAC Name Preferred":"(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane","IUPAC Name Systematic":"(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane","IUPAC Name Traditional":"(1S,3R,8S,11S,12S,15R,16R)-15-[(1R)-1,5-dimethylhexyl]-7,7,12,16-tetramethyl-pentacyclo[9.7.0.01,3.03,8.012,16]octadecane",InChI:"1S/C30H52/c1-21(2)10-8-11-22(3)23-14-17-28(7)25-13-12-24-26(4,5)15-9-16-29(24)20-30(25,29)19-18-27(23,28)6/h21-25H,8-20H2,1-7H3/t22-,23-,24+,25+,27-,28+,29-,30+/m1/s1",InChIKey:"BSLYZLYLUUIFGZ-JRUDBKCSSA-N","Log P":11.8,"Exact Mass":412.40690168,"Molecular Formula":"C30H52","Molecular Weight":412.7,"Monoisotopic Mass":412.40690168,Charge:0,"Easy Name":"Cycloartane","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H52"},160511:{PUBCHEM:{CID:"160511","Compound Complexity":257,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid","IUPAC Name CAS-like Style":"(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid","IUPAC Name Markup":"(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid","IUPAC Name Preferred":"(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid","IUPAC Name Systematic":"(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid","IUPAC Name Traditional":"(2S)-3-(1H-indol-3-yl)-2-(methylamino)propionic acid",InChI:"1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1",InChIKey:"CZCIKBSVHDNIDH-NSHDSACASA-N","Log P":-.5,"Exact Mass":218.1055277,"Molecular Formula":"C12H14N2O2","Molecular Weight":218.25,"Monoisotopic Mass":218.1055277,Charge:0,"Easy Name":"Abrine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C12H14N2O2"},160516:{PUBCHEM:{CID:"160516","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cerium(3+);tricarbonate","IUPAC Name CAS-like Style":"Cerium(3+);tricarbonate","IUPAC Name Markup":"Cerium(3+);tricarbonate","IUPAC Name Preferred":"Cerium(3+);tricarbonate","IUPAC Name Systematic":"Cerium(3+);tricarbonate","IUPAC Name Traditional":"Cerium(3+);tricarbonate",InChI:"1S/3CH2O3.2Ce/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",InChIKey:"GHLITDDQOMIBFS-UHFFFAOYSA-H","Exact Mass":459.76512,"Molecular Formula":"C3Ce2O9","Molecular Weight":460.26,"Monoisotopic Mass":459.76512,Charge:0,"Easy Name":"Cerium (III) carbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C3Ce2O9"},160624:{PUBCHEM:{CID:"160624","Compound Complexity":196,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":30,"IUPAC Name Allowed":"Nickelous;octadecanoate","IUPAC Name CAS-like Style":"Nickel(2+);octadecanoate","IUPAC Name Markup":"Nickel(2+);octadecanoate","IUPAC Name Preferred":"Nickel(2+);octadecanoate","IUPAC Name Systematic":"Nickel(2+);octadecanoate","IUPAC Name Traditional":"Nickelous;stearate",InChI:"1S/2C18H36O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",InChIKey:"JMWUYEFBFUCSAK-UHFFFAOYSA-L","Exact Mass":624.462753,"Molecular Formula":"C36H70NiO4","Molecular Weight":625.6,"Monoisotopic Mass":624.462753,Charge:0,"Easy Name":"Nickel (II) stearate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C36H70Ni1O4"},160636:{PUBCHEM:{CID:"160636","Compound Complexity":637,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",InChIKey:"BHQCQFFYRZLCQQ-PGHAKIONSA-N","Log P":3.6,"Exact Mass":408.28757439,"Molecular Formula":"C24H40O5","Molecular Weight":408.6,"Monoisotopic Mass":408.28757439,Charge:0,"Easy Name":" (4R)-4-[ (3R, 5R, 7R, 8R, 9S, 10S, 12S, 13R, 14S, 17R)-3, 7, 12-trihydroxy-10, 13-dimethyl-2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O5"},160695:{PUBCHEM:{CID:"160695","Compound Complexity":196,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":15,"IUPAC Name Allowed":"Silver;octadecanoate","IUPAC Name CAS-like Style":"Silver;octadecanoate","IUPAC Name Markup":"Silver;octadecanoate","IUPAC Name Preferred":"Silver;octadecanoate","IUPAC Name Systematic":"Silver;octadecanoate","IUPAC Name Traditional":"Silver;stearate",InChI:"1S/C18H36O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",InChIKey:"ORYURPRSXLUCSS-UHFFFAOYSA-M","Exact Mass":390.1688,"Molecular Formula":"C18H35AgO2","Molecular Weight":391.3,"Monoisotopic Mass":390.1688,Charge:0,"Easy Name":"Silver stearate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Ag1C18H35O2"},160767:{PUBCHEM:{CID:"160767","Compound Complexity":281,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"3-phenylchroman-4-one","IUPAC Name CAS-like Style":"3-phenyl-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"3-phenyl-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"3-phenyl-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"3-phenyl-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"3-phenylchroman-4-one",InChI:"1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2",InChIKey:"RTRZOHKLISMNRD-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":224.08372963,"Molecular Formula":"C15H12O2","Molecular Weight":224.25,"Monoisotopic Mass":224.08372963,Charge:0,"Easy Name":"Isoflavanone","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O2"},160904:{PUBCHEM:{CID:"160904","Compound Complexity":7.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;nitrite","IUPAC Name CAS-like Style":"Silver;nitrite","IUPAC Name Markup":"Silver;nitrite","IUPAC Name Preferred":"Silver;nitrite","IUPAC Name Systematic":"Silver;nitrite","IUPAC Name Traditional":"Silver;nitrite",InChI:"1S/Ag.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",InChIKey:"KKKDGYXNGYJJRX-UHFFFAOYSA-M","Exact Mass":152.89799,"Molecular Formula":"AgNO2","Molecular Weight":153.874,"Monoisotopic Mass":152.89799,Charge:0,"Easy Name":"Silver nitrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag1N1O2"},160910:{PUBCHEM:{CID:"160910","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Stannic;disulfate","IUPAC Name CAS-like Style":"Tin(4+);disulfate","IUPAC Name Markup":"Tin(4+);disulfate","IUPAC Name Preferred":"Tin(4+);disulfate","IUPAC Name Systematic":"Tin(4+);disulfate","IUPAC Name Traditional":"Stannic;disulfate",InChI:"1S/2H2O4S.Sn/c2*1-5(2,3)4;/h2*(H2,1,2,3,4);/q;;+4/p-4",InChIKey:"FAKFSJNVVCGEEI-UHFFFAOYSA-J","Exact Mass":311.805661,"Molecular Formula":"O8S2Sn","Molecular Weight":310.8,"Monoisotopic Mass":311.805661,Charge:0,"Easy Name":"Tin (IV) Sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O8S2Sn1"},160931:{PUBCHEM:{CID:"160931","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;dioxido(dioxo)manganese","IUPAC Name CAS-like Style":"Dipotassium;dioxido(dioxo)manganese","IUPAC Name Markup":"Dipotassium;dioxido(dioxo)manganese","IUPAC Name Preferred":"Dipotassium;dioxido(dioxo)manganese","IUPAC Name Systematic":"Dipotassium;bis(oxidanidyl)-bis(oxidanylidene)manganese","IUPAC Name Traditional":"Dipotassium;diketo(dioxido)manganese",InChI:"1S/2K.Mn.4O/q2*+1;;;;2*-1",InChIKey:"XKYFHUXZPRFUTH-UHFFFAOYSA-N","Exact Mass":196.845115,"Molecular Formula":"K2MnO4","Molecular Weight":197.132,"Monoisotopic Mass":196.845115,Charge:0,"Easy Name":"Potassium manganate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K2Mn1O4"},160932:{PUBCHEM:{CID:"160932","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxido(dioxo)manganese","IUPAC Name CAS-like Style":"Dioxido(dioxo)manganese","IUPAC Name Markup":"Dioxido(dioxo)manganese","IUPAC Name Preferred":"Dioxido(dioxo)manganese","IUPAC Name Systematic":"Bis(oxidanidyl)-bis(oxidanylidene)manganese","IUPAC Name Traditional":"Diketo(dioxido)manganese",InChI:"1S/Mn.4O/q;;;2*-1",InChIKey:"LBSANEJBGMCTBH-UHFFFAOYSA-N","Exact Mass":118.917702,"Molecular Formula":"MnO4-2","Molecular Weight":118.936,"Monoisotopic Mass":118.917702,Charge:-2,"Easy Name":"Manganate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2Mn1O4"},160957:{PUBCHEM:{CID:"160957","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diferric;trisulfide","IUPAC Name CAS-like Style":"Iron(3+);trisulfide","IUPAC Name Markup":"Iron(3+);trisulfide","IUPAC Name Preferred":"Iron(3+);trisulfide","IUPAC Name Systematic":"Iron(3+);trisulfide","IUPAC Name Traditional":"Diferric;trisulfide",InChI:"1S/2Fe.3S/q2*+3;3*-2",InChIKey:"KAEAMHPPLLJBKF-UHFFFAOYSA-N","Exact Mass":207.786085,"Molecular Formula":"Fe2S3","Molecular Weight":207.9,"Monoisotopic Mass":207.786085,Charge:0,"Easy Name":"Iron (III) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe2S3"},160963:{PUBCHEM:{CID:"160963","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(1+);hydroxide","IUPAC Name CAS-like Style":"Thallium(1+);hydroxide","IUPAC Name Markup":"Thallium(1+);hydroxide","IUPAC Name Preferred":"Thallium(1+);hydroxide","IUPAC Name Systematic":"Thallium(1+);hydroxide","IUPAC Name Traditional":"Thallium(1+);hydroxide",InChI:"1S/H2O.Tl/h1H2;/q;+1/p-1",InChIKey:"QGYXCSSUHCHXHB-UHFFFAOYSA-M","Exact Mass":221.97717,"Molecular Formula":"HOTl","Molecular Weight":221.391,"Monoisotopic Mass":221.97717,Charge:0,"Easy Name":"Thallium (I) hydroxide","Easy Category":"Alkali"},HSDB:{},ReducedFormula:"H1O1Tl1"},160970:{PUBCHEM:{CID:"160970","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;oxygen(2-);titanium(4+)","IUPAC Name CAS-like Style":"Disodium;oxygen(2-);titanium(4+)","IUPAC Name Markup":"Disodium;oxygen(2-);titanium(4+)","IUPAC Name Preferred":"Disodium;oxygen(2-);titanium(4+)","IUPAC Name Systematic":"Disodium;oxygen(2-);titanium(4+)","IUPAC Name Traditional":"Disodium;oxygen(2-);titanium(4+)",InChI:"1S/2Na.3O.Ti/q2*+1;3*-2;+4",InChIKey:"LJUBBLNHYXJKSN-UHFFFAOYSA-N","Exact Mass":141.912223,"Molecular Formula":"Na2O3Ti","Molecular Weight":141.84,"Monoisotopic Mass":141.912223,Charge:0,"Easy Name":"Disodium; oxygen (-2) anion; titanium (+4) cation","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2O3Ti1"},160976:{PUBCHEM:{CID:"160976","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibismuth;trisulfide","IUPAC Name CAS-like Style":"Dibismuth;trisulfide","IUPAC Name Markup":"Dibismuth;trisulfide","IUPAC Name Preferred":"Dibismuth;trisulfide","IUPAC Name Systematic":"Dibismuth;trisulfide","IUPAC Name Traditional":"Dibismuth;trisulfide",InChI:"1S/2Bi.3S/q2*+3;3*-2",InChIKey:"YNRGZHRFBQOYPP-UHFFFAOYSA-N","Exact Mass":513.87701,"Molecular Formula":"Bi2S3","Molecular Weight":514.2,"Monoisotopic Mass":513.87701,Charge:0,"Easy Name":"Bismuth (III) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi2S3"},161081:{PUBCHEM:{CID:"161081","Compound Complexity":154,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Trisodium;[hydroxy(oxido)phosphoryl] phosphate","IUPAC Name CAS-like Style":"Trisodium;[hydroxy(oxido)phosphoryl] phosphate","IUPAC Name Markup":"Trisodium;[hydroxy(oxido)phosphoryl] phosphate","IUPAC Name Preferred":"Trisodium;[hydroxy(oxido)phosphoryl] phosphate","IUPAC Name Systematic":"Trisodium;[oxidanidyl(oxidanyl)phosphoryl] phosphate","IUPAC Name Traditional":"Trisodium;[hydroxy(oxido)phosphoryl] phosphate",InChI:"1S/3Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3",InChIKey:"MLIKYFGFHUYZAL-UHFFFAOYSA-K","Exact Mass":243.88905921,"Molecular Formula":"HNa3O7P2","Molecular Weight":243.92,"Monoisotopic Mass":243.88905921,Charge:0,"Easy Name":"Trisodium;[hydroxy (oxido)phosphoryl] phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H1Na3O7P2"},161102:{PUBCHEM:{CID:"161102","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisodium;rhodium(3+);hexachloride","IUPAC Name CAS-like Style":"Trisodium;rhodium(3+);hexachloride","IUPAC Name Markup":"Trisodium;rhodium(3+);hexachloride","IUPAC Name Preferred":"Trisodium;rhodium(3+);hexachloride","IUPAC Name Systematic":"Trisodium;rhodium(3+);hexachloride","IUPAC Name Traditional":"Trisodium;rhodium(3+);hexachloride",InChI:"1S/6ClH.3Na.Rh/h6*1H;;;;/q;;;;;;3*+1;+3/p-6",InChIKey:"YDEXHLGYVJSKTN-UHFFFAOYSA-H","Exact Mass":383.68497,"Molecular Formula":"Cl6Na3Rh","Molecular Weight":384.6,"Monoisotopic Mass":381.68792,Charge:0,"Easy Name":"Trisodium hexachlororhodate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6Na3Rh1"},161136:{PUBCHEM:{CID:"161136","Compound Complexity":76,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrogen sulfate;rubidium(1+)","IUPAC Name CAS-like Style":"Hydrogen sulfate;rubidium(1+)","IUPAC Name Markup":"Hydrogen sulfate;rubidium(1+)","IUPAC Name Preferred":"Hydrogen sulfate;rubidium(1+)","IUPAC Name Systematic":"Hydrogen sulfate;rubidium(1+)","IUPAC Name Traditional":"Rubidium(1+);bisulfate",InChI:"1S/H2O4S.Rb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+1/p-1",InChIKey:"SCWZRXZHBXDDBE-UHFFFAOYSA-M","Exact Mass":181.87134442,"Molecular Formula":"HO4RbS","Molecular Weight":182.54,"Monoisotopic Mass":181.87134442,Charge:0,"Easy Name":"Rubidium hydrogen sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H1O4Rb1S1"},161166:{PUBCHEM:{CID:"161166","Compound Complexity":255,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid","IUPAC Name Markup":"(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid","IUPAC Name Preferred":"(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid","IUPAC Name Systematic":"(2S)-4-(2-aminophenyl)-2-azanyl-4-oxidanylidene-butanoic acid","IUPAC Name Traditional":"(2S)-2-amino-4-(2-aminophenyl)-4-keto-butyric acid",InChI:"1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",InChIKey:"YGPSJZOEDVAXAB-QMMMGPOBSA-N","Log P":-2.2,"Exact Mass":208.08479225,"Molecular Formula":"C10H12N2O3","Molecular Weight":208.21,"Monoisotopic Mass":208.08479225,Charge:0,"Easy Name":"L-Kynurenine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C10H12N2O3"},161168:{PUBCHEM:{CID:"161168","Compound Complexity":193,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;4-methylbenzenesulfonate","IUPAC Name CAS-like Style":"Potassium;4-methylbenzenesulfonate","IUPAC Name Markup":"Potassium;4-methylbenzenesulfonate","IUPAC Name Preferred":"Potassium;4-methylbenzenesulfonate","IUPAC Name Systematic":"Potassium;4-methylbenzenesulfonate","IUPAC Name Traditional":"Potassium;tosylate",InChI:"1S/C7H8O3S.K/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",InChIKey:"GHKGUEZUGFJUEJ-UHFFFAOYSA-M","Exact Mass":209.97529675,"Molecular Formula":"C7H7KO3S","Molecular Weight":210.29,"Monoisotopic Mass":209.97529675,Charge:0,"Easy Name":"Potassium;4-methylbenzenesulfonate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C7H7K1O3S1"},161205:{PUBCHEM:{CID:"161205","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydron;palladium(2+);tetrachloride","IUPAC Name CAS-like Style":"Hydron;palladium(2+);tetrachloride","IUPAC Name Markup":"Hydron;palladium(2+);tetrachloride","IUPAC Name Preferred":"Hydron;palladium(2+);tetrachloride","IUPAC Name Systematic":"Hydron;palladium(2+);tetrachloride","IUPAC Name Traditional":"Hydron;palladium(2+);tetrachloride",InChI:"1S/4ClH.Pd/h4*1H;/q;;;;+2/p-2",InChIKey:"RPYSFYBAYJBKCR-UHFFFAOYSA-L","Exact Mass":249.79159,"Molecular Formula":"Cl4H2Pd","Molecular Weight":250.2,"Monoisotopic Mass":247.79454,Charge:0,"Easy Name":"Dihydrogen tetrachloropalladate (II)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl4H2Pd1"},161218:{PUBCHEM:{CID:"161218","Compound Complexity":580,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"10-hydroxy-8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name CAS-like Style":"10-hydroxy-8-methoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid","IUPAC Name Markup":"10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Preferred":"10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Systematic":"8-methoxy-6-nitro-10-oxidanyl-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Traditional":"10-hydroxy-8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid",InChI:"1S/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21)",InChIKey:"PADIFGYTAXNCRK-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":357.04846632,"Molecular Formula":"C17H11NO8","Molecular Weight":357.3,"Monoisotopic Mass":357.04846632,Charge:0,"Easy Name":"Aristolochic acid D","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C17H11N1O8"},161298:{PUBCHEM:{CID:"161298","Compound Complexity":416,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name CAS-like Style":"(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Markup":"(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Preferred":"(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Systematic":"(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Traditional":"(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-16-ol",InChI:"1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1",InChIKey:"HUKSJTUUSUGIDC-BDJLRTHQSA-N","Log P":2.5,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":" (+)-Maackiain","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C16H12O5"},161359:{PUBCHEM:{CID:"161359","Compound Complexity":322,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":5,"IUPAC Name Allowed":"[3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate","IUPAC Name CAS-like Style":"[3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate","IUPAC Name Markup":"[3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate","IUPAC Name Preferred":"[3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate","IUPAC Name Systematic":"[3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate","IUPAC Name Traditional":"[3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate",InChI:"1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)",InChIKey:"WTPBXXCVZZZXKR-UHFFFAOYSA-N","Log P":-2.1,"Exact Mass":270.07694397,"Molecular Formula":"C11H15N2O4P","Molecular Weight":270.22,"Monoisotopic Mass":270.07694397,Charge:0,"Easy Name":"Baeocystin","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C11H15N2O4P1"},161367:{PUBCHEM:{CID:"161367","Compound Complexity":242,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(4aS,7S,7aR)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one","IUPAC Name CAS-like Style":"(4aS,7S,7aR)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one","IUPAC Name Markup":"(4aS,7S,7aR)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one","IUPAC Name Preferred":"(4aS,7S,7aR)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one","IUPAC Name Systematic":"(4aS,7S,7aR)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one","IUPAC Name Traditional":"(4aS,7S,7aR)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one",InChI:"1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m0/s1",InChIKey:"ZDKZHVNKFOXMND-NBEYISGCSA-N","Log P":1.9,"Exact Mass":166.09937969,"Molecular Formula":"C10H14O2","Molecular Weight":166.22,"Monoisotopic Mass":166.09937969,Charge:0,"Easy Name":"Nepetalactone","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C10H14O2"},161658:{PUBCHEM:{CID:"161658","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2S,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1",InChIKey:"GZCGUPFRVQAUEE-KVTDHHQDSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Polymannose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},161913:{PUBCHEM:{CID:"161913","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydron;palladium;hexachloride","IUPAC Name CAS-like Style":"Hydron;palladium;hexachloride","IUPAC Name Markup":"Hydron;palladium;hexachloride","IUPAC Name Preferred":"Hydron;palladium;hexachloride","IUPAC Name Systematic":"Hydron;palladium;hexachloride","IUPAC Name Traditional":"Hydron;palladium;hexachloride",InChI:"1S/6ClH.Pd/h6*1H;/p-4",InChIKey:"GFGOGHWGBSCRRN-UHFFFAOYSA-J","Exact Mass":319.7293,"Molecular Formula":"Cl6H2Pd-4","Molecular Weight":321.1,"Monoisotopic Mass":317.73225,Charge:-4,"Easy Name":"Dihydrogen hexachloropalladate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-4Cl6H2Pd1"},161995:{PUBCHEM:{CID:"161995","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;potassium;oxygen(2-)","IUPAC Name CAS-like Style":"Potassium;iron(3+);oxygen(2-)","IUPAC Name Markup":"Potassium;iron(3+);oxygen(2-)","IUPAC Name Preferred":"Potassium;iron(3+);oxygen(2-)","IUPAC Name Systematic":"Potassium;iron(3+);oxygen(2-)","IUPAC Name Traditional":"Ferric;potassium;oxygen(2-)",InChI:"1S/Fe.K.2O/q+3;+1;2*-2",InChIKey:"UMPKMCDVBZFQOK-UHFFFAOYSA-N","Exact Mass":126.888471,"Molecular Formula":"FeKO2","Molecular Weight":126.94,"Monoisotopic Mass":126.888471,Charge:0,"Easy Name":"Potassium ferrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1K1O2"},162350:{PUBCHEM:{CID:"162350","Compound Complexity":690,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":7,"Rotatable Bond":3,"IUPAC Name Allowed":"5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","IUPAC Name Systematic":"6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone",InChI:"1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1",InChIKey:"MYXNWGACZJSMBT-VJXVFPJBSA-N","Log P":.2,"Exact Mass":432.10564684,"Molecular Formula":"C21H20O10","Molecular Weight":432.4,"Monoisotopic Mass":432.10564684,Charge:0,"Easy Name":"Isovitexin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H20O10"},162807:{PUBCHEM:{CID:"162807","Compound Complexity":574,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"(2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diol","IUPAC Name CAS-like Style":"(2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]heneicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diol","IUPAC Name Markup":"(2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diol","IUPAC Name Preferred":"(2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diol","IUPAC Name Systematic":"(2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diol","IUPAC Name Traditional":"(2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]heneicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diol",InChI:"1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",InChIKey:"YIFYYPKWOQSCRI-AZUAARDMSA-N","Log P":2.5,"Exact Mass":338.11542368,"Molecular Formula":"C20H18O5","Molecular Weight":338.4,"Monoisotopic Mass":338.11542368,Charge:0,"Easy Name":"Glyceollin I","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C20H18O5"},163016:{PUBCHEM:{CID:"163016","Compound Complexity":651,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,2S,4S,8R,9S,12S,13R,19R,20R)-20-hydroxy-9,13-dimethyl-5-oxa-16-azahexacyclo[10.9.0.02,9.04,8.013,19.016,20]henicosan-6-one","IUPAC Name CAS-like Style":"(1R,2S,4S,8R,9S,12S,13R,19R,20R)-20-hydroxy-9,13-dimethyl-5-oxa-16-azahexacyclo[10.9.0.02,9.04,8.013,19.016,20]heneicosan-6-one","IUPAC Name Markup":"(1R,2S,4S,8R,9S,12S,13R,19R,20R)-20-hydroxy-9,13-dimethyl-5-oxa-16-azahexacyclo[10.9.0.02,9.04,8.013,19.016,20]henicosan-6-one","IUPAC Name Preferred":"(1R,2S,4S,8R,9S,12S,13R,19R,20R)-20-hydroxy-9,13-dimethyl-5-oxa-16-azahexacyclo[10.9.0.02,9.04,8.013,19.016,20]henicosan-6-one","IUPAC Name Systematic":"(1R,2S,4S,8R,9S,12S,13R,19R,20R)-9,13-dimethyl-20-oxidanyl-5-oxa-16-azahexacyclo[10.9.0.02,9.04,8.013,19.016,20]henicosan-6-one","IUPAC Name Traditional":"(1R,2S,4S,8R,9S,12S,13R,19R,20R)-20-hydroxy-9,13-dimethyl-5-oxa-16-azahexacyclo[10.9.0.02,9.04,8.013,19.016,20]heneicosan-6-one",InChI:"1S/C21H31NO3/c1-19-5-3-13-12(14(19)9-16-15(19)10-18(23)25-16)11-21(24)17-4-7-22(21)8-6-20(13,17)2/h12-17,24H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,19+,20-,21-/m1/s1",InChIKey:"KFGZZMBROBJWRH-KTNYHBKCSA-N","Log P":3.2,"Exact Mass":345.23039386,"Molecular Formula":"C21H31NO3","Molecular Weight":345.5,"Monoisotopic Mass":345.23039386,Charge:0,"Easy Name":"Ecomytrin","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C21H31N1O3"},163040:{PUBCHEM:{CID:"163040","Compound Complexity":258,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol","IUPAC Name CAS-like Style":"(1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol","IUPAC Name Markup":"(1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol","IUPAC Name Preferred":"(1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol","IUPAC Name Systematic":"(1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol","IUPAC Name Traditional":"(1R,4aR,5S,7aS)-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol",InChI:"1S/C9H12O4/c10-4-5-3-7(11)6-1-2-13-9(12)8(5)6/h1-3,6-12H,4H2/t6-,7+,8+,9+/m0/s1",InChIKey:"BACWCXKATFIVFS-JQCXWYLXSA-N","Log P":-1.4,"Exact Mass":184.07355887,"Molecular Formula":"C9H12O4","Molecular Weight":184.19,"Monoisotopic Mass":184.07355887,Charge:0,"Easy Name":"Aucubigenin","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C9H12O4"},164550:{PUBCHEM:{CID:"164550","Compound Complexity":147,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-oxobutanedioate","IUPAC Name CAS-like Style":"2-oxobutanedioate","IUPAC Name Markup":"2-oxobutanedioate","IUPAC Name Preferred":"2-oxobutanedioate","IUPAC Name Systematic":"2-oxidanylidenebutanedioate","IUPAC Name Traditional":"2-ketosuccinate",InChI:"1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-2",InChIKey:"KHPXUQMNIQBQEV-UHFFFAOYSA-L","Log P":.7,"Exact Mass":129.990223162,"Molecular Formula":"C4H2O5-2","Molecular Weight":130.06,"Monoisotopic Mass":129.990223162,Charge:-2,"Easy Name":"Oxaloacetate dianion","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2C4H2O5"},164602:{PUBCHEM:{CID:"164602","Compound Complexity":33,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbonochloridic acid","IUPAC Name CAS-like Style":"Carbonochloridic acid","IUPAC Name Markup":"Carbonochloridic acid","IUPAC Name Preferred":"Carbonochloridic acid","IUPAC Name Systematic":"Carbonochloridic acid","IUPAC Name Traditional":"Carbonochloridic acid",InChI:"1S/CHClO2/c2-1(3)4/h(H,3,4)",InChIKey:"AOGYCOYQMAVAFD-UHFFFAOYSA-N","Log P":.9,"Exact Mass":79.966507,"Molecular Formula":"CHClO2","Molecular Weight":80.47,"Monoisotopic Mass":79.966507,Charge:0,"Easy Name":"Chloroformic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C1Cl1H1O2"},164654:{PUBCHEM:{CID:"164654","Compound Complexity":60.5,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lanthanum(3+);oxalate","IUPAC Name CAS-like Style":"Lanthanum(3+);oxalate","IUPAC Name Markup":"Lanthanum(3+);oxalate","IUPAC Name Preferred":"Lanthanum(3+);oxalate","IUPAC Name Systematic":"Ethanedioate;lanthanum(3+)","IUPAC Name Traditional":"Lanthanum(3+);oxalate",InChI:"1S/3C2H2O4.2La/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",InChIKey:"OXHNIMPTBAKYRS-UHFFFAOYSA-H","Exact Mass":541.75169,"Molecular Formula":"C6La2O12","Molecular Weight":541.87,"Monoisotopic Mass":541.75169,Charge:0,"Easy Name":"Lanthanum ethanedioate (2:3)","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6La2O12"},164665:{PUBCHEM:{CID:"164665","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Yttrium(3+);tricarbonate","IUPAC Name CAS-like Style":"Yttrium(3+);tricarbonate","IUPAC Name Markup":"Yttrium(3+);tricarbonate","IUPAC Name Preferred":"Yttrium(3+);tricarbonate","IUPAC Name Systematic":"Yttrium(3+);tricarbonate","IUPAC Name Traditional":"Yttrium(3+);tricarbonate",InChI:"1S/3CH2O3.2Y/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",InChIKey:"QVOIJBIQBYRBCF-UHFFFAOYSA-H","Exact Mass":357.76591,"Molecular Formula":"C3O9Y2","Molecular Weight":357.84,"Monoisotopic Mass":357.76591,Charge:0,"Easy Name":"Yttrium carbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C3O9Y2"},164670:{PUBCHEM:{CID:"164670","Compound Complexity":25.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);acetate","IUPAC Name CAS-like Style":"Rubidium(1+);acetate","IUPAC Name Markup":"Rubidium(1+);acetate","IUPAC Name Preferred":"Rubidium(1+);acetate","IUPAC Name Systematic":"Rubidium(1+);ethanoate","IUPAC Name Traditional":"Rubidium(1+);acetate",InChI:"1S/C2H4O2.Rb/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",InChIKey:"FOGKDYADEBOSPL-UHFFFAOYSA-M","Exact Mass":143.92509407,"Molecular Formula":"C2H3O2Rb","Molecular Weight":144.51,"Monoisotopic Mass":143.92509407,Charge:0,"Easy Name":"Rubidium acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2H3O2Rb1"},164745:{PUBCHEM:{CID:"164745","Compound Complexity":60.5,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxalate;yttrium(3+)","IUPAC Name CAS-like Style":"Oxalate;yttrium(3+)","IUPAC Name Markup":"Oxalate;yttrium(3+)","IUPAC Name Preferred":"Oxalate;yttrium(3+)","IUPAC Name Systematic":"Ethanedioate;yttrium(3+)","IUPAC Name Traditional":"Oxalate;yttrium(3+)",InChI:"1S/3C2H2O4.2Y/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",InChIKey:"IBSDADOZMZEYKD-UHFFFAOYSA-H","Exact Mass":441.75066,"Molecular Formula":"C6O12Y2","Molecular Weight":441.87,"Monoisotopic Mass":441.75066,Charge:0,"Easy Name":"Yttrium oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6O12Y2"},164805:{PUBCHEM:{CID:"164805","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gold(3+);oxygen(2-)","IUPAC Name CAS-like Style":"Gold(3+);oxygen(2-)","IUPAC Name Markup":"Gold(3+);oxygen(2-)","IUPAC Name Preferred":"Gold(3+);oxygen(2-)","IUPAC Name Systematic":"Gold(3+);oxygen(2-)","IUPAC Name Traditional":"Gold(3+);oxygen(2-)",InChI:"1S/2Au.3O/q2*+3;3*-2",InChIKey:"DDYSHSNGZNCTKB-UHFFFAOYSA-N","Exact Mass":441.91788,"Molecular Formula":"Au2O3","Molecular Weight":441.931,"Monoisotopic Mass":441.91788,Charge:0,"Easy Name":"Gold (III) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Au2O3"},164823:{PUBCHEM:{CID:"164823","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;antimony(3+);oxygen(2-)","IUPAC Name CAS-like Style":"Potassium;antimony(3+);oxygen(2-)","IUPAC Name Markup":"Potassium;antimony(3+);oxygen(2-)","IUPAC Name Preferred":"Potassium;antimony(3+);oxygen(2-)","IUPAC Name Systematic":"Potassium;antimony(3+);oxygen(2-)","IUPAC Name Traditional":"Potassium;antimony(3+);oxygen(2-)",InChI:"1S/K.2O.Sb/q+1;2*-2;+3",InChIKey:"QTLDUMDCHXGAGZ-UHFFFAOYSA-N","Exact Mass":191.85735,"Molecular Formula":"KO2Sb","Molecular Weight":192.86,"Monoisotopic Mass":191.85735,Charge:0,"Easy Name":"Antimony potassium oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"K1O2Sb1"},164825:{PUBCHEM:{CID:"164825","Compound Complexity":949,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Trisodium;5-oxo-1-(4-sulfonatophenyl)-4-(4-sulfonatophenyl)azo-4H-pyrazole-3-carboxylate","IUPAC Name CAS-like Style":"Trisodium;5-oxo-1-(4-sulfonatophenyl)-4-(4-sulfonatophenyl)azo-4H-pyrazole-3-carboxylate","IUPAC Name Markup":"Trisodium;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate","IUPAC Name Preferred":"Trisodium;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate","IUPAC Name Systematic":"Trisodium;5-oxidanylidene-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate","IUPAC Name Traditional":"Trisodium;5-keto-1-(4-sulfonatophenyl)-4-(4-sulfonatophenyl)azo-2-pyrazoline-3-carboxylate",InChI:"1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3",InChIKey:"UJMBCXLDXJUMFB-UHFFFAOYSA-K","Exact Mass":533.95040308,"Molecular Formula":"C16H9N4Na3O9S2","Molecular Weight":534.4,"Monoisotopic Mass":533.95040308,Charge:0,"Easy Name":"Tartrazine","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"Bright orange-yellow powder"},Solubility:{Value:"In water, 20.0 g/100 mL at 25 °C (2.0X10+5 mg/L)"},Uses:{Value:"For acid yellow 23 (USEPA/OPP Pesticide Code: 110302) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C16H9N4Na3O9S2"},164826:{PUBCHEM:{CID:"164826","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper;dihydroxide","IUPAC Name CAS-like Style":"Copper;dihydroxide","IUPAC Name Markup":"Copper;dihydroxide","IUPAC Name Preferred":"Copper;dihydroxide","IUPAC Name Systematic":"Copper;dihydroxide","IUPAC Name Traditional":"Cupric;dihydroxide",InChI:"1S/Cu.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"JJLJMEJHUUYSSY-UHFFFAOYSA-L","Exact Mass":96.935077,"Molecular Formula":"CuH2O2","Molecular Weight":97.56,"Monoisotopic Mass":96.935077,Charge:0,"Easy Name":"Copper (II) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Cu1H2O2"},164887:{PUBCHEM:{CID:"164887","Compound Complexity":25.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;triacetate","IUPAC Name CAS-like Style":"Iron(3+);triacetate","IUPAC Name Markup":"Iron(3+);triacetate","IUPAC Name Preferred":"Iron(3+);triacetate","IUPAC Name Systematic":"Iron(3+);triethanoate","IUPAC Name Traditional":"Ferric;triacetate",InChI:"1S/3C2H4O2.Fe/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",InChIKey:"PVFSDGKDKFSOTB-UHFFFAOYSA-K","Exact Mass":232.974849,"Molecular Formula":"C6H9FeO6","Molecular Weight":232.98,"Monoisotopic Mass":232.974849,Charge:0,"Easy Name":"Iron (III) acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6Fe1H9O6"},164928:{PUBCHEM:{CID:"164928","Compound Complexity":31.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dithiocyanate","IUPAC Name CAS-like Style":"Barium(2+);dithiocyanate","IUPAC Name Markup":"Barium(2+);dithiocyanate","IUPAC Name Preferred":"Barium(2+);dithiocyanate","IUPAC Name Systematic":"Barium(2+);dithiocyanate","IUPAC Name Traditional":"Barium(2+);dithiocyanate",InChI:"1S/2CHNS.Ba/c2*2-1-3;/h2*3H;/q;;+2/p-2",InChIKey:"LKZCRGABYQYUFX-UHFFFAOYSA-L","Exact Mass":253.855538,"Molecular Formula":"C2BaN2S2","Molecular Weight":253.5,"Monoisotopic Mass":253.855538,Charge:0,"Easy Name":"Barium thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1C2N2S2"},165097:{PUBCHEM:{CID:"165097","Compound Complexity":60.5,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(3+);oxalate","IUPAC Name CAS-like Style":"Europium(3+);oxalate","IUPAC Name Markup":"Europium(3+);oxalate","IUPAC Name Preferred":"Europium(3+);oxalate","IUPAC Name Systematic":"Ethanedioate;europium(3+)","IUPAC Name Traditional":"Europium(3+);oxalate",InChI:"1S/3C2H2O4.2Eu/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",InChIKey:"PVDYMOCCGHXJAK-UHFFFAOYSA-H","Exact Mass":567.78007,"Molecular Formula":"C6Eu2O12","Molecular Weight":567.98,"Monoisotopic Mass":569.78145,Charge:0,"Easy Name":"Europium (III) oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6Eu2O12"},165185:{PUBCHEM:{CID:"165185","Compound Complexity":31.3,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;trithiocyanate","IUPAC Name CAS-like Style":"Iron(3+);trithiocyanate","IUPAC Name Markup":"Iron(3+);trithiocyanate","IUPAC Name Preferred":"Iron(3+);trithiocyanate","IUPAC Name Systematic":"Iron(3+);trithiocyanate","IUPAC Name Traditional":"Ferric;trithiocyanate",InChI:"1S/3CHNS.Fe/c3*2-1-3;/h3*3H;/q;;;+3/p-3",InChIKey:"SUBFIBLJQMMKBK-UHFFFAOYSA-K","Exact Mass":229.860371,"Molecular Formula":"C3FeN3S3","Molecular Weight":230.1,"Monoisotopic Mass":229.860371,Charge:0,"Easy Name":"Ferric thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C3Fe1N3S3"},165274:{PUBCHEM:{CID:"165274","Compound Complexity":535,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"10-hydroxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name CAS-like Style":"10-hydroxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid","IUPAC Name Markup":"10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Preferred":"10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Systematic":"6-nitro-10-oxidanyl-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Traditional":"10-hydroxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid",InChI:"1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)",InChIKey:"NBFGYDJKTHENDP-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":327.03790163,"Molecular Formula":"C16H9NO7","Molecular Weight":327.24,"Monoisotopic Mass":327.03790163,Charge:0,"Easy Name":"Aristolochic acid C","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C16H9N1O7"},165346:{PUBCHEM:{CID:"165346","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(2+);carbonate","IUPAC Name CAS-like Style":"Europium(2+);carbonate","IUPAC Name Markup":"Europium(2+);carbonate","IUPAC Name Preferred":"Europium(2+);carbonate","IUPAC Name Systematic":"Europium(2+);carbonate","IUPAC Name Traditional":"Europium(2+);carbonate",InChI:"1S/CH2O3.Eu/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"SULCVUWEGVSCPF-UHFFFAOYSA-L","Exact Mass":212.90598,"Molecular Formula":"CEuO3","Molecular Weight":211.97,"Monoisotopic Mass":212.90598,Charge:0,"Easy Name":"Europium (II) carbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1Eu1O3"},165371:{PUBCHEM:{CID:"165371","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(3+);tricarbonate","IUPAC Name CAS-like Style":"Europium(3+);tricarbonate","IUPAC Name Markup":"Europium(3+);tricarbonate","IUPAC Name Preferred":"Europium(3+);tricarbonate","IUPAC Name Systematic":"Europium(3+);tricarbonate","IUPAC Name Traditional":"Europium(3+);tricarbonate",InChI:"1S/3CH2O3.2Eu/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",InChIKey:"MBFNJTXDYDGXDL-UHFFFAOYSA-H","Exact Mass":483.79533,"Molecular Formula":"C3Eu2O9","Molecular Weight":483.95,"Monoisotopic Mass":485.79671,Charge:0,"Easy Name":"Europium (III) carbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C3Eu2O9"},165391:{PUBCHEM:{CID:"165391","Compound Complexity":31.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;dithiocyanate","IUPAC Name CAS-like Style":"Iron(2+);dithiocyanate","IUPAC Name Markup":"Iron(2+);dithiocyanate","IUPAC Name Preferred":"Iron(2+);dithiocyanate","IUPAC Name Systematic":"Iron(2+);dithiocyanate","IUPAC Name Traditional":"Ferrous;dithiocyanate",InChI:"1S/2CHNS.Fe/c2*2-1-3;/h2*3H;/q;;+2/p-2",InChIKey:"DXTCFKRAUYBHRC-UHFFFAOYSA-L","Exact Mass":171.885226,"Molecular Formula":"C2FeN2S2","Molecular Weight":172,"Monoisotopic Mass":171.885226,Charge:0,"Easy Name":"Ferrous thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C2Fe1N2S2"},165456:{PUBCHEM:{CID:"165456","Compound Complexity":640,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,2S,3S,6R,7R,11R,14R,16S)-7-isopropyl-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one","IUPAC Name CAS-like Style":"(1R,2S,3S,6R,7R,11R,14R,16S)-2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one","IUPAC Name Markup":"(1R,2S,3S,6R,7R,11R,14R,16S)-2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one","IUPAC Name Preferred":"(1R,2S,3S,6R,7R,11R,14R,16S)-2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one","IUPAC Name Systematic":"(1R,2S,3S,6R,7R,11R,14R,16S)-2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one","IUPAC Name Traditional":"(1R,2S,3S,6R,7R,11R,14R,16S)-7-isopropyl-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one",InChI:"1S/C22H33NO2/c1-12(2)20-17(24)10-16-14-6-5-13-9-19-23-11-18(25-19)22(13,4)15(14)7-8-21(16,20)3/h10,12-15,18-20,23H,5-9,11H2,1-4H3/t13-,14-,15+,18+,19+,20+,21+,22+/m1/s1",InChIKey:"YVWOGPJZTKNLJO-BYXPGVIDSA-N","Log P":4.3,"Exact Mass":343.25112931,"Molecular Formula":"C22H33NO2","Molecular Weight":343.5,"Monoisotopic Mass":343.25112931,Charge:0,"Easy Name":"Samandenone","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C22H33N1O2"},165489:{PUBCHEM:{CID:"165489","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichromic;tricarbonate","IUPAC Name CAS-like Style":"Chromium(3+);tricarbonate","IUPAC Name Markup":"Chromium(3+);tricarbonate","IUPAC Name Preferred":"Chromium(3+);tricarbonate","IUPAC Name Systematic":"Chromium(3+);tricarbonate","IUPAC Name Traditional":"Dichromic;tricarbonate",InChI:"1S/3CH2O3.2Cr/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",InChIKey:"XHFVDZNDZCNTLT-UHFFFAOYSA-H","Exact Mass":283.835242,"Molecular Formula":"C3Cr2O9","Molecular Weight":284.02,"Monoisotopic Mass":283.835242,Charge:0,"Easy Name":"Chromium (3+) carbonate (2:3)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C3Cr2O9"},165605:{PUBCHEM:{CID:"165605","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);selenate","IUPAC Name CAS-like Style":"Rubidium(1+);selenate","IUPAC Name Markup":"Rubidium(1+);selenate","IUPAC Name Preferred":"Rubidium(1+);selenate","IUPAC Name Systematic":"Rubidium(1+);selenate","IUPAC Name Traditional":"Rubidium(1+);selenate",InChI:"1S/H2O4Se.2Rb/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2",InChIKey:"PHYWMMXCLJVCBT-UHFFFAOYSA-L","Exact Mass":313.71976,"Molecular Formula":"O4Rb2Se","Molecular Weight":313.9,"Monoisotopic Mass":313.71976,Charge:0,"Easy Name":"Rubidium selenate","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"O4Rb2Se1"},165640:{PUBCHEM:{CID:"165640","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;selenate","IUPAC Name CAS-like Style":"Diammonium;selenate","IUPAC Name Markup":"Diazanium;selenate","IUPAC Name Preferred":"Diazanium;selenate","IUPAC Name Systematic":"Diazanium;selenate","IUPAC Name Traditional":"Diammonium;selenate",InChI:"1S/2H3N.H2O4Se/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)",InChIKey:"ZBIBSMMVRNDSNI-UHFFFAOYSA-N","Exact Mass":179.96493,"Molecular Formula":"H8N2O4Se","Molecular Weight":179.05,"Monoisotopic Mass":179.96493,Charge:0,"Easy Name":"Diammonium selenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H8N2O4Se1"},165641:{PUBCHEM:{CID:"165641","Compound Complexity":0,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Vanadium;pentafluoride","IUPAC Name CAS-like Style":"Vanadium;pentafluoride","IUPAC Name Markup":"Vanadium;pentafluoride","IUPAC Name Preferred":"Vanadium;pentafluoride","IUPAC Name Systematic":"Vanadium;pentafluoride","IUPAC Name Traditional":"Vanadium;pentafluoride",InChI:"1S/5FH.V/h5*1H;/p-5",InChIKey:"LRLCSRVNZCWQRK-UHFFFAOYSA-I","Exact Mass":145.935973,"Molecular Formula":"F5V-5","Molecular Weight":145.934,"Monoisotopic Mass":145.935973,Charge:-5,"Easy Name":"Vanadium pentafluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"-5F5V1"},165646:{PUBCHEM:{CID:"165646","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;gold(3+);tetraiodide","IUPAC Name CAS-like Style":"Potassium;gold(3+);tetraiodide","IUPAC Name Markup":"Potassium;gold(3+);tetraiodide","IUPAC Name Preferred":"Potassium;gold(3+);tetraiodide","IUPAC Name Systematic":"Potassium;gold(3+);tetraiodide","IUPAC Name 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Name Traditional":"Diferric;tricarbonate",InChI:"1S/3CH2O3.2Fe/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",InChIKey:"YPJCVYYCWSFGRM-UHFFFAOYSA-H","Exact Mass":291.824103,"Molecular Formula":"C3Fe2O9","Molecular Weight":291.72,"Monoisotopic Mass":291.824103,Charge:0,"Easy Name":"Iron (3+) carbonate (2:3)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C3Fe2O9"},165862:{PUBCHEM:{CID:"165862","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicesium;selenate","IUPAC Name CAS-like Style":"Dicesium;selenate","IUPAC Name Markup":"Dicesium;selenate","IUPAC Name Preferred":"Dicesium;selenate","IUPAC Name Systematic":"Dicesium;selenate","IUPAC Name Traditional":"Dicesium;selenate",InChI:"1S/2Cs.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"GIIBVORKUMBCJK-UHFFFAOYSA-L","Exact Mass":409.70708,"Molecular Formula":"Cs2O4Se","Molecular Weight":408.78,"Monoisotopic Mass":409.70708,Charge:0,"Easy Name":"Dicesium Selenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs2O4Se1"},165866:{PUBCHEM:{CID:"165866","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Titanium(3+);trisulfate","IUPAC Name CAS-like Style":"Titanium(3+);trisulfate","IUPAC Name Markup":"Titanium(3+);trisulfate","IUPAC Name Preferred":"Titanium(3+);trisulfate","IUPAC Name Systematic":"Titanium(3+);trisulfate","IUPAC Name Traditional":"Titanium(3+);trisulfate",InChI:"1S/3H2O4S.2Ti/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",InChIKey:"SOBXOQKKUVQETK-UHFFFAOYSA-H","Exact Mass":383.751071,"Molecular Formula":"O12S3Ti2","Molecular Weight":383.9,"Monoisotopic Mass":383.751071,Charge:0,"Easy Name":"Sulfuric acid, titanium (3+) salt (3:2)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O12S3Ti2"},165867:{PUBCHEM:{CID:"165867","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable 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salt"},HSDB:{},ReducedFormula:"S3Y2"},166044:{PUBCHEM:{CID:"166044","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxoborinothioic acid","IUPAC Name CAS-like Style":"Sulfanylideneborinothioic acid","IUPAC Name Markup":"Sulfanylideneborinothioic acid","IUPAC Name Preferred":"Sulfanylideneborinothioic acid","IUPAC Name Systematic":"Sulfanylideneborinothioic acid","IUPAC Name Traditional":"Thioxoborinothioic acid",InChI:"1S/BHS2/c2-1-3/h2H",InChIKey:"BSOSUJTZJBOWOH-UHFFFAOYSA-N","Exact Mass":75.9612725,"Molecular Formula":"BHS2","Molecular Weight":76,"Monoisotopic Mass":75.9612725,Charge:0,"Easy Name":"Sulfanylideneborinothioic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"B1H1S2"},166618:{PUBCHEM:{CID:"166618","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Phosphonium;iodide","IUPAC Name CAS-like Style":"Phosphonium;iodide","IUPAC Name Markup":"Phosphanium;iodide","IUPAC Name Preferred":"Phosphanium;iodide","IUPAC Name Systematic":"Phosphanium;iodide","IUPAC Name Traditional":"Phosphonium;iodide",InChI:"1S/HI.H3P/h1H;1H3",InChIKey:"LSMAIBOZUPTNBR-UHFFFAOYSA-N","Exact Mass":161.90953,"Molecular Formula":"H4IP","Molecular Weight":161.91,"Monoisotopic Mass":161.90953,Charge:0,"Easy Name":"Phosphonium iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H4I1P1"},166621:{PUBCHEM:{CID:"166621","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tricobaltous;phosphorus(3-)","IUPAC Name CAS-like Style":"Cobalt(2+);phosphorus(3-)","IUPAC Name Markup":"Cobalt(2+);phosphorus(3-)","IUPAC Name Preferred":"Cobalt(2+);phosphorus(3-)","IUPAC Name Systematic":"Cobalt(2+);phosphorus(3-)","IUPAC Name Traditional":"Tricobaltous;phosphorus(3-)",InChI:"1S/3Co.2P/q3*+2;2*-3",InChIKey:"YYHKCTWKZVGLSL-UHFFFAOYSA-N","Exact Mass":238.7471,"Molecular Formula":"Co3P2","Molecular Weight":238.74711,"Monoisotopic Mass":238.7471,Charge:0,"Easy Name":"Cobalt (II) phosphide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Co3P2"},166630:{PUBCHEM:{CID:"166630","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dilithium;oxygen(2-)","IUPAC Name CAS-like Style":"Dilithium;oxygen(2-)","IUPAC Name Markup":"Dilithium;oxygen(2-)","IUPAC Name Preferred":"Dilithium;oxygen(2-)","IUPAC Name Systematic":"Dilithium;oxygen(2-)","IUPAC Name Traditional":"Dilithium;oxygen(2-)",InChI:"1S/2Li.O/q2*+1;-2",InChIKey:"FUJCRWPEOMXPAD-UHFFFAOYSA-N","Exact Mass":30.02692149,"Molecular Formula":"Li2O","Molecular Weight":29.9,"Monoisotopic Mass":30.02692149,Charge:0,"Easy Name":"Lithium oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Li2O1"},166646:{PUBCHEM:{CID:"166646","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable 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Traditional":"Disodium;zinc;tetrahydroxide",InChI:"1S/2Na.4H2O.Zn/h;;4*1H2;/q2*+1;;;;;+2/p-4",InChIKey:"HVTHJRMZXBWFNE-UHFFFAOYSA-J","Exact Mass":177.919639,"Molecular Formula":"H4Na2O4Zn","Molecular Weight":179.4,"Monoisotopic Mass":177.919639,Charge:0,"Easy Name":"Sodium zinc hydroxide (2:1:4)","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H4Na2O4Zn1"},166673:{PUBCHEM:{CID:"166673","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;sodium;tetrahydroxide","IUPAC Name CAS-like Style":"Aluminum;sodium;tetrahydroxide","IUPAC Name Markup":"Aluminum;sodium;tetrahydroxide","IUPAC Name Preferred":"Aluminum;sodium;tetrahydroxide","IUPAC Name Systematic":"Aluminum;sodium;tetrahydroxide","IUPAC Name Traditional":"Aluminum;sodium;tetrahydroxide",InChI:"1S/Al.Na.4H2O/h;;4*1H2/q+3;+1;;;;/p-4",InChIKey:"SVEIXENKLWYGIZ-UHFFFAOYSA-J","Exact Mass":117.9822663,"Molecular Formula":"AlH4NaO4","Molecular Weight":118.001,"Monoisotopic Mass":117.9822663,Charge:0,"Easy Name":"Sodium tetrahydroxoaluminate","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Al1H4Na1O4"},166686:{PUBCHEM:{CID:"166686","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/ClO/c1-2",InChIKey:"NHYCGSASNAIGLD-UHFFFAOYSA-N","Log P":.3,"Exact Mass":50.9637673,"Molecular Formula":"ClO","Molecular Weight":51.45,"Monoisotopic Mass":50.9637673,Charge:0,"Easy Name":"Chlorine monoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Cl1O1"},166720:{PUBCHEM:{CID:"166720","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromic;trihydroxide","IUPAC Name CAS-like Style":"Chromium(3+);trihydroxide","IUPAC Name Markup":"Chromium(3+);trihydroxide","IUPAC Name Preferred":"Chromium(3+);trihydroxide","IUPAC Name Systematic":"Chromium(3+);trihydroxide","IUPAC Name 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salt"},HSDB:{},ReducedFormula:"Ag2S1"},166767:{PUBCHEM:{CID:"166767","Compound Complexity":18.8,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cerium(4+);tetranitrate","IUPAC Name CAS-like Style":"Cerium(4+);tetranitrate","IUPAC Name Markup":"Cerium(4+);tetranitrate","IUPAC Name Preferred":"Cerium(4+);tetranitrate","IUPAC Name Systematic":"Cerium(4+);tetranitrate","IUPAC Name Traditional":"Cerium(4+);tetranitrate",InChI:"1S/Ce.4NO3/c;4*2-1(3)4/q+4;4*-1",InChIKey:"LQCIDLXXSFUYSA-UHFFFAOYSA-N","Exact Mass":387.85672,"Molecular Formula":"CeN4O12","Molecular Weight":388.14,"Monoisotopic Mass":387.85672,Charge:0,"Easy Name":"Cerium (IV) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ce1N4O12"},166803:{PUBCHEM:{CID:"166803","Compound Complexity":60.5,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxalate;scandium(3+)","IUPAC Name CAS-like Style":"Oxalate;scandium(3+)","IUPAC Name Markup":"Oxalate;scandium(3+)","IUPAC Name Preferred":"Oxalate;scandium(3+)","IUPAC Name Systematic":"Ethanedioate;scandium(3+)","IUPAC Name Traditional":"Oxalate;scandium(3+)",InChI:"1S/3C2H2O4.2Sc/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",InChIKey:"OMMFSGNJZPSNEH-UHFFFAOYSA-H","Exact Mass":353.85079,"Molecular Formula":"C6O12Sc2","Molecular Weight":353.97,"Monoisotopic Mass":353.85079,Charge:0,"Easy Name":"Scandium Oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6O12Sc2"},166805:{PUBCHEM:{CID:"166805","Compound Complexity":36.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;iodate","IUPAC Name CAS-like Style":"Ammonium;iodate","IUPAC Name Markup":"Azanium;iodate","IUPAC Name Preferred":"Azanium;iodate","IUPAC Name Systematic":"Azanium;iodate","IUPAC Name Traditional":"Ammonium;iodate",InChI:"1S/HIO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3",InChIKey:"ZRDJERPXCFOFCP-UHFFFAOYSA-N","Exact Mass":192.92359,"Molecular 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Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dinitrite","IUPAC Name CAS-like Style":"Barium(2+);dinitrite","IUPAC Name Markup":"Barium(2+);dinitrite","IUPAC Name Preferred":"Barium(2+);dinitrite","IUPAC Name Systematic":"Barium(2+);dinitrite","IUPAC Name Traditional":"Barium(2+);dinitrite",InChI:"1S/Ba.2HNO2/c;2*2-1-3/h;2*(H,2,3)/q+2;;/p-2",InChIKey:"GJTDJAPHKDIQIQ-UHFFFAOYSA-L","Exact Mass":229.891054,"Molecular Formula":"BaN2O4","Molecular Weight":229.34,"Monoisotopic Mass":229.891054,Charge:0,"Easy Name":"Barium nitrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1N2O4"},166821:{PUBCHEM:{CID:"166821","Compound Complexity":124,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrasilver;phosphonato phosphate","IUPAC Name CAS-like Style":"Tetrasilver;phosphonato phosphate","IUPAC Name Markup":"Tetrasilver;phosphonato phosphate","IUPAC Name Preferred":"Tetrasilver;phosphonato phosphate","IUPAC Name Systematic":"Tetrasilver;phosphonato phosphate","IUPAC Name Traditional":"Tetrasilver;phosphonato phosphate",InChI:"1S/4Ag.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4",InChIKey:"VPKAOUKDMHJLAY-UHFFFAOYSA-J","Exact Mass":605.53162,"Molecular Formula":"Ag4O7P2","Molecular Weight":605.42,"Monoisotopic Mass":601.5323,Charge:0,"Easy Name":"Silver pyrophosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag4O7P2"},166825:{PUBCHEM:{CID:"166825","Compound Complexity":7.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;dinitrite","IUPAC Name CAS-like Style":"Strontium;dinitrite","IUPAC Name Markup":"Strontium;dinitrite","IUPAC Name Preferred":"Strontium;dinitrite","IUPAC Name Systematic":"Strontium;dinitrite","IUPAC Name Traditional":"Strontium;dinitrite",InChI:"1S/2HNO2.Sr/c2*2-1-3;/h2*(H,2,3);/q;;+2/p-2",InChIKey:"HOWFTCIROIVKLW-UHFFFAOYSA-L","Exact Mass":179.89141874,"Molecular Formula":"N2O4Sr","Molecular Weight":179.6,"Monoisotopic Mass":179.89141874,Charge:0,"Easy Name":"Strontium nitrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"N2O4Sr1"},166834:{PUBCHEM:{CID:"166834","Compound Complexity":95.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);perchlorate","IUPAC Name CAS-like Style":"Rubidium(1+);perchlorate","IUPAC Name Markup":"Rubidium(1+);perchlorate","IUPAC Name Preferred":"Rubidium(1+);perchlorate","IUPAC Name Systematic":"Rubidium(1+);perchlorate","IUPAC Name Traditional":"Rubidium(1+);perchlorate",InChI:"1S/ClHO4.Rb/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"NQYGGOOZLKJKPS-UHFFFAOYSA-M","Exact Mass":183.8603009,"Molecular Formula":"ClO4Rb","Molecular Weight":184.92,"Monoisotopic Mass":183.8603009,Charge:0,"Easy Name":"Rubidium perchlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1O4Rb1"},166835:{PUBCHEM:{CID:"166835","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisilver;arsorate","IUPAC Name CAS-like Style":"Trisilver;arsorate","IUPAC Name Markup":"Trisilver;arsorate","IUPAC Name Preferred":"Trisilver;arsorate","IUPAC Name Systematic":"Trisilver;arsorate","IUPAC Name Traditional":"Trisilver;arsorate",InChI:"1S/3Ag.AsH3O4/c;;;2-1(3,4)5/h;;;(H3,2,3,4,5)/q3*+1;/p-3",InChIKey:"IMGNYAPMSDUASV-UHFFFAOYSA-K","Exact Mass":461.61619,"Molecular Formula":"Ag3AsO4","Molecular Weight":462.52,"Monoisotopic Mass":459.61653,Charge:0,"Easy Name":"Trisilver;trioxido (oxo)-λ5-arsane","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag3As1O4"},166836:{PUBCHEM:{CID:"166836","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Yttrium(3+);trisulfate","IUPAC Name CAS-like Style":"Yttrium(3+);trisulfate","IUPAC Name Markup":"Yttrium(3+);trisulfate","IUPAC Name Preferred":"Yttrium(3+);trisulfate","IUPAC Name Systematic":"Yttrium(3+);trisulfate","IUPAC Name Traditional":"Yttrium(3+);trisulfate",InChI:"1S/3H2O4S.2Y/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",InChIKey:"RTAYJOCWVUTQHB-UHFFFAOYSA-H","Exact Mass":465.66687,"Molecular Formula":"O12S3Y2","Molecular Weight":466,"Monoisotopic Mass":465.66687,Charge:0,"Easy Name":"Yttrium sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O12S3Y2"},166843:{PUBCHEM:{CID:"166843","Compound Complexity":36.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;bromate","IUPAC Name CAS-like Style":"Lithium;bromate","IUPAC Name Markup":"Lithium;bromate","IUPAC Name Preferred":"Lithium;bromate","IUPAC Name Systematic":"Lithium;bromate","IUPAC Name Traditional":"Lithium;bromate",InChI:"1S/BrHO3.Li/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"XWHZVOLSLQFSTN-UHFFFAOYSA-M","Exact Mass":133.91908,"Molecular Formula":"BrLiO3","Molecular Weight":134.9,"Monoisotopic Mass":133.91908,Charge:0,"Easy Name":"Lithium bromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1Li1O3"},166848:{PUBCHEM:{CID:"166848","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Vanadium(2+);sulfate","IUPAC Name CAS-like Style":"Vanadium(2+);sulfate","IUPAC Name Markup":"Vanadium(2+);sulfate","IUPAC Name Preferred":"Vanadium(2+);sulfate","IUPAC Name Systematic":"Vanadium(2+);sulfate","IUPAC Name Traditional":"Vanadium(2+);sulfate",InChI:"1S/H2O4S.V/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",InChIKey:"VLOPEOIIELCUML-UHFFFAOYSA-L","Exact Mass":146.895687,"Molecular Formula":"O4SV","Molecular Weight":147.01,"Monoisotopic Mass":146.895687,Charge:0,"Easy Name":"Vanadium (2+) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O4S1V1"},166864:{PUBCHEM:{CID:"166864","Compound Complexity":156,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"Diammonium;phosphono phosphate","IUPAC 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Systematic":"Cesium;gold(3+);tetrachloride","IUPAC Name Traditional":"Cesium;gold(3+);tetrachloride",InChI:"1S/Au.4ClH.Cs/h;4*1H;/q+3;;;;;+1/p-4",InChIKey:"XZYTXYUDKPBRLK-UHFFFAOYSA-J","Exact Mass":471.744483,"Molecular Formula":"AuCl4Cs","Molecular Weight":471.7,"Monoisotopic Mass":469.747433,Charge:0,"Easy Name":"Caesium tetrachloroaurate (1-)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1Cl4Cs1"},166883:{PUBCHEM:{CID:"166883","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gold(3+);rubidium(1+);tetrachloride","IUPAC Name CAS-like Style":"Gold(3+);rubidium(1+);tetrachloride","IUPAC Name Markup":"Gold(3+);rubidium(1+);tetrachloride","IUPAC Name Preferred":"Gold(3+);rubidium(1+);tetrachloride","IUPAC Name Systematic":"Gold(3+);rubidium(1+);tetrachloride","IUPAC Name Traditional":"Gold(3+);rubidium(1+);tetrachloride",InChI:"1S/Au.4ClH.Rb/h;4*1H;/q+3;;;;;+1/p-4",InChIKey:"SEVLWAWMCRMDAH-UHFFFAOYSA-J","Exact Mass":423.750821,"Molecular Formula":"AuCl4Rb","Molecular Weight":424.2,"Monoisotopic Mass":421.753771,Charge:0,"Easy Name":"Rubidium tetrachloroaurate (1-)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1Cl4Rb1"},166888:{PUBCHEM:{CID:"166888","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Vanadium;trisulfate","IUPAC Name CAS-like Style":"Vanadium;trisulfate","IUPAC Name Markup":"Vanadium;trisulfate","IUPAC Name Preferred":"Vanadium;trisulfate","IUPAC Name Systematic":"Vanadium;trisulfate","IUPAC Name Traditional":"Vanadium;trisulfate",InChI:"1S/3H2O4S.2V/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/p-6",InChIKey:"OYCGXLKTCYDJNJ-UHFFFAOYSA-H","Exact Mass":389.743103,"Molecular Formula":"O12S3V2-6","Molecular Weight":390.1,"Monoisotopic Mass":389.743103,Charge:-6,"Easy Name":"Vanadium (III) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-6O12S3V2"},166945:{PUBCHEM:{CID:"166945","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Plumbous;dichloride","IUPAC Name CAS-like Style":"Lead(2+);dichloride","IUPAC Name Markup":"Lead(2+);dichloride","IUPAC Name Preferred":"Lead(2+);dichloride","IUPAC Name Systematic":"Lead(2+);dichloride","IUPAC Name Traditional":"Plumbous;dichloride",InChI:"1S/2ClH.Pb/h2*1H;/q;;+2/p-2",InChIKey:"HWSZZLVAJGOAAY-UHFFFAOYSA-L","Exact Mass":277.91436,"Molecular Formula":"Cl2Pb","Molecular Weight":278,"Monoisotopic Mass":277.91436,Charge:0,"Easy Name":"Lead (II) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Pb1"},166985:{PUBCHEM:{CID:"166985","Compound Complexity":10,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;nickel;tetracyanide","IUPAC Name CAS-like Style":"Disodium;nickel;tetracyanide","IUPAC Name Markup":"Disodium;nickel;tetracyanide","IUPAC Name Preferred":"Disodium;nickel;tetracyanide","IUPAC Name Systematic":"Disodium;nickel;tetracyanide","IUPAC Name Traditional":"Disodium;nickel;tetracyanide",InChI:"1S/4CN.2Na.Ni/c4*1-2;;;/q4*-1;2*+1;",InChIKey:"XQRUZCFXGRNTLO-UHFFFAOYSA-N","Exact Mass":207.927176,"Molecular Formula":"C4N4Na2Ni-2","Molecular Weight":208.74,"Monoisotopic Mass":207.927176,Charge:-2,"Easy Name":"Disodium Nickel Tetracyanide","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-2C4N4Na2Ni1"},167038:{PUBCHEM:{CID:"167038","Compound Complexity":10,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;gold(3+);tetracyanide","IUPAC Name CAS-like Style":"Potassium;gold(3+);tetracyanide","IUPAC Name Markup":"Potassium;gold(3+);tetracyanide","IUPAC Name Preferred":"Potassium;gold(3+);tetracyanide","IUPAC Name Systematic":"Potassium;gold(3+);tetracyanide","IUPAC Name Traditional":"Potassium;gold(3+);tetracyanide",InChI:"1S/4CN.Au.K/c4*1-2;;/q4*-1;+3;+1",InChIKey:"NRTDAKURTMLAFN-UHFFFAOYSA-N","Exact Mass":339.942573,"Molecular Formula":"C4AuKN4","Molecular Weight":340.13,"Monoisotopic Mass":339.942573,Charge:0,"Easy Name":"Potassium gold (III) cyanide","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1C4K1N4"},167053:{PUBCHEM:{CID:"167053","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper;ammonia;sulfate","IUPAC Name CAS-like Style":"Copper;ammonia;sulfate","IUPAC Name Markup":"Copper;azane;sulfate","IUPAC Name Preferred":"Copper;azane;sulfate","IUPAC Name Systematic":"Copper;azane;sulfate","IUPAC Name Traditional":"Cupric;ammonia;sulfate",InChI:"1S/Cu.4H3N.H2O4S/c;;;;;1-5(2,3)4/h;4*1H3;(H2,1,2,3,4)/q+2;;;;;/p-2",InChIKey:"MJIHMGIXWVSFTF-UHFFFAOYSA-L","Exact Mass":226.987523,"Molecular Formula":"CuH12N4O4S","Molecular Weight":227.73,"Monoisotopic Mass":226.987523,Charge:0,"Easy Name":"Tetraamminecopper (II) sulfate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cu1H12N4O4S1"},167064:{PUBCHEM:{CID:"167064","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;gold(3+);tetrabromide","IUPAC Name CAS-like Style":"Potassium;gold(3+);tetrabromide","IUPAC Name Markup":"Potassium;gold(3+);tetrabromide","IUPAC Name Preferred":"Potassium;gold(3+);tetrabromide","IUPAC Name Systematic":"Potassium;gold(3+);tetrabromide","IUPAC Name Traditional":"Potassium;gold(3+);tetrabromide",InChI:"1S/Au.4BrH.K/h;4*1H;/q+3;;;;;+1/p-4",InChIKey:"GVZKACIZKAONNB-UHFFFAOYSA-J","Exact Mass":555.59953,"Molecular Formula":"AuBr4K","Molecular Weight":555.68,"Monoisotopic Mass":551.60363,Charge:0,"Easy Name":"Potassium tetrabromoaurate (III)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1Br4K1"},167184:{PUBCHEM:{CID:"167184","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;beryllium;tetrafluoride","IUPAC Name CAS-like Style":"Diammonium;beryllium;tetrafluoride","IUPAC Name Markup":"Diazanium;beryllium;tetrafluoride","IUPAC Name Preferred":"Diazanium;beryllium;tetrafluoride","IUPAC Name Systematic":"Diazanium;beryllium;tetrafluoride","IUPAC Name Traditional":"Diammonium;beryllium;tetrafluoride",InChI:"1S/Be.4FH.2H3N/h;4*1H;2*1H3/q+2;;;;;;/p-2",InChIKey:"BZNAXXLFJPTIDH-UHFFFAOYSA-L","Exact Mass":121.074544,"Molecular Formula":"BeF4H8N2","Molecular Weight":121.083,"Monoisotopic Mass":121.074544,Charge:0,"Easy Name":"Beryllium diammonium tetrafluoride","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Be1F4H8N2"},167232:{PUBCHEM:{CID:"167232","Compound Complexity":95.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Periodate","IUPAC Name CAS-like Style":"Periodate","IUPAC Name Markup":"Periodate","IUPAC Name Preferred":"Periodate","IUPAC Name Systematic":"Periodate","IUPAC Name Traditional":"Periodate",InChI:"1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1",InChIKey:"KHIWWQKSHDUIBK-UHFFFAOYSA-M","Log P":-1.4,"Exact Mass":190.88413,"Molecular Formula":"IO4-","Molecular Weight":190.902,"Monoisotopic Mass":190.88413,Charge:-1,"Easy Name":"Periodate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1I1O4"},167274:{PUBCHEM:{CID:"167274","Compound Complexity":10,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;gold(1+);dicyanide","IUPAC Name CAS-like Style":"Sodium;gold(1+);dicyanide","IUPAC Name Markup":"Sodium;gold(1+);dicyanide","IUPAC Name Preferred":"Sodium;gold(1+);dicyanide","IUPAC Name Systematic":"Sodium;gold(1+);dicyanide","IUPAC Name Traditional":"Sodium;gold(1+);dicyanide",InChI:"1S/2CN.Au.Na/c2*1-2;;/q2*-1;2*+1",InChIKey:"VMDSWYDTKFSTQH-UHFFFAOYSA-N","Exact Mass":271.962487,"Molecular Formula":"C2AuN2Na","Molecular Weight":271.99,"Monoisotopic Mass":271.962487,Charge:0,"Easy Name":"Gold (1+) sodium cyanide (1:1:2)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1C2N2Na1"},167280:{PUBCHEM:{CID:"167280","Compound Complexity":10,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;zinc;tetracyanide","IUPAC Name CAS-like Style":"Disodium;zinc;tetracyanide","IUPAC Name Markup":"Disodium;zinc;tetracyanide","IUPAC Name Preferred":"Disodium;zinc;tetracyanide","IUPAC Name Systematic":"Disodium;zinc;tetracyanide","IUPAC Name Traditional":"Disodium;zinc;tetracyanide",InChI:"1S/4CN.2Na.Zn/c4*1-2;;;/q4*-1;2*+1;+2",InChIKey:"QYSCBQYSQWBJFX-UHFFFAOYSA-N","Exact Mass":213.920976,"Molecular Formula":"C4N4Na2Zn","Molecular Weight":215.4,"Monoisotopic Mass":213.920976,Charge:0,"Easy Name":"Sodium zinc cyanide (2:1:4)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C4N4Na2Zn1"},167287:{PUBCHEM:{CID:"167287","Compound Complexity":10,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;ferrous;potassium;hexacyanide","IUPAC Name CAS-like Style":"Potassium;iron(2+);iron(3+);hexacyanide","IUPAC Name Markup":"Potassium;iron(2+);iron(3+);hexacyanide","IUPAC Name Preferred":"Potassium;iron(2+);iron(3+);hexacyanide","IUPAC Name Systematic":"Potassium;iron(2+);iron(3+);hexacyanide","IUPAC Name Traditional":"Ferric;ferrous;potassium;hexacyanide",InChI:"1S/6CN.2Fe.K/c6*1-2;;;/q6*-1;+2;+3;+1",InChIKey:"LDQICAMJIICDLF-UHFFFAOYSA-N","Exact Mass":306.852022,"Molecular Formula":"C6Fe2KN6","Molecular Weight":306.89,"Monoisotopic Mass":306.852022,Charge:0,"Easy Name":"Potassium iron (II) dihexacyanoferrate (III)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C6Fe2K1N6"},167306:{PUBCHEM:{CID:"167306","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicesium;selenite","IUPAC Name CAS-like Style":"Dicesium;selenite","IUPAC Name Markup":"Dicesium;selenite","IUPAC Name Preferred":"Dicesium;selenite","IUPAC Name Systematic":"Dicesium;selenite","IUPAC Name Traditional":"Dicesium;selenite",InChI:"1S/2Cs.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",InChIKey:"GHJWFYKYSBLTHI-UHFFFAOYSA-L","Exact Mass":393.71217,"Molecular Formula":"Cs2O3Se","Molecular Weight":392.78,"Monoisotopic Mass":393.71217,Charge:0,"Easy Name":"Dicesium;selenite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs2O3Se1"},167311:{PUBCHEM:{CID:"167311","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dilithium;selenate","IUPAC Name CAS-like Style":"Dilithium;selenate","IUPAC Name Markup":"Dilithium;selenate","IUPAC Name Preferred":"Dilithium;selenate","IUPAC Name Systematic":"Dilithium;selenate","IUPAC Name Traditional":"Dilithium;selenate",InChI:"1S/2Li.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"JXTNYTBZEWFKNR-UHFFFAOYSA-L","Exact Mass":157.92819,"Molecular Formula":"Li2O4Se","Molecular Weight":156.9,"Monoisotopic Mass":157.92819,Charge:0,"Easy Name":"Lithium selenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Li2O4Se1"},167493:{PUBCHEM:{CID:"167493","Compound Complexity":594,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"8,10-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name CAS-like Style":"8,10-dimethoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid","IUPAC Name Markup":"8,10-dimethoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Preferred":"8,10-dimethoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Systematic":"8,10-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid","IUPAC Name Traditional":"8,10-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid",InChI:"1S/C18H13NO8/c1-24-8-3-10-9(13(4-8)25-2)5-12(19(22)23)15-11(18(20)21)6-14-17(16(10)15)27-7-26-14/h3-6H,7H2,1-2H3,(H,20,21)",InChIKey:"GYBINMVKWZEICQ-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":371.06411638,"Molecular Formula":"C18H13NO8","Molecular Weight":371.3,"Monoisotopic Mass":371.06411638,Charge:0,"Easy Name":"Aristolochic acid IV","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C18H13N1O8"},167571:{PUBCHEM:{CID:"167571","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;sodium;sulfate","IUPAC Name CAS-like Style":"Potassium;sodium;sulfate","IUPAC Name Markup":"Potassium;sodium;sulfate","IUPAC Name Preferred":"Potassium;sodium;sulfate","IUPAC Name Systematic":"Potassium;sodium;sulfate","IUPAC Name Traditional":"Potassium;sodium;sulfate",InChI:"1S/K.Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"UOVHNSMBKKMHHP-UHFFFAOYSA-L","Exact Mass":157.90520542,"Molecular Formula":"KNaO4S","Molecular Weight":158.15,"Monoisotopic Mass":157.90520542,Charge:0,"Easy Name":"Potassium sodium sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K1Na1O4S1"},167620:{PUBCHEM:{CID:"167620","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;hexafluorophosphate","IUPAC Name CAS-like Style":"Potassium;hexafluorophosphate","IUPAC Name Markup":"Potassium;hexafluorophosphate","IUPAC Name Preferred":"Potassium;hexafluorophosphate","IUPAC Name Systematic":"Potassium;hexafluorophosphate","IUPAC Name Traditional":"Potassium;hexafluorophosphate",InChI:"1S/F6P.K/c1-7(2,3,4,5)6;/q-1;+1",InChIKey:"YZDGRYDIGCWVND-UHFFFAOYSA-N","Exact Mass":183.92788746,"Molecular Formula":"F6KP","Molecular Weight":184.062,"Monoisotopic Mass":183.92788746,Charge:0,"Easy Name":"Potassium hexafluorophosphate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F6K1P1"},167661:{PUBCHEM:{CID:"167661","Compound Complexity":75.6,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/Cl2O3/c3-1-2(4)5",InChIKey:"XGNLKXPXDGCHRZ-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":117.9224492,"Molecular Formula":"Cl2O3","Molecular Weight":118.9,"Monoisotopic Mass":117.9224492,Charge:0,"Easy Name":"Dichlorine trioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Cl2O3"},167786:{PUBCHEM:{CID:"167786","Compound Complexity":103,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Diammonium;hexanedioate","IUPAC Name CAS-like Style":"Diammonium;hexanedioate","IUPAC Name Markup":"Diazanium;hexanedioate","IUPAC Name Preferred":"Diazanium;hexanedioate","IUPAC Name Systematic":"Diazanium;hexanedioate","IUPAC Name Traditional":"Diammonium;adipate",InChI:"1S/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3",InChIKey:"ZRSKSQHEOZFGLJ-UHFFFAOYSA-N","Exact Mass":180.111007,"Molecular Formula":"C6H16N2O4","Molecular Weight":180.2,"Monoisotopic Mass":180.111007,Charge:0,"Easy Name":"Ammonium adipate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6H16N2O4"},167933:{PUBCHEM:{CID:"167933","Compound Complexity":10,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tripotassium;iridium(3+);hexacyanide","IUPAC Name CAS-like Style":"Tripotassium;iridium(3+);hexacyanide","IUPAC Name Markup":"Tripotassium;iridium(3+);hexacyanide","IUPAC Name Preferred":"Tripotassium;iridium(3+);hexacyanide","IUPAC Name Systematic":"Tripotassium;iridium(3+);hexacyanide","IUPAC Name Traditional":"Tripotassium;iridium(3+);hexacyanide",InChI:"1S/6CN.Ir.3K/c6*1-2;;;;/q6*-1;+3;3*+1",InChIKey:"ABSXHGQRDNGJJQ-UHFFFAOYSA-N","Exact Mass":465.87249,"Molecular Formula":"C6IrK3N6","Molecular Weight":465.62,"Monoisotopic Mass":465.87249,Charge:0,"Easy Name":"Tripotassium Hexacyanoiridate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C6Ir1K3N6"},168102:{PUBCHEM:{CID:"168102","Compound Complexity":25.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Yttrium(3+);triacetate","IUPAC Name CAS-like Style":"Yttrium(3+);triacetate","IUPAC Name Markup":"Yttrium(3+);triacetate","IUPAC Name Preferred":"Yttrium(3+);triacetate","IUPAC Name Systematic":"Yttrium(3+);triethanoate","IUPAC Name Traditional":"Yttrium(3+);triacetate",InChI:"1S/3C2H4O2.Y/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",InChIKey:"JUWHRRAPBUAYTA-UHFFFAOYSA-K","Exact Mass":265.94575,"Molecular Formula":"C6H9O6Y","Molecular Weight":266.04,"Monoisotopic Mass":265.94575,Charge:0,"Easy Name":"Yttrium Acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6H9O6Y1"},168114:{PUBCHEM:{CID:"168114","Compound Complexity":319,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":12,"IUPAC Name Allowed":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dodecan-3-one","IUPAC Name CAS-like Style":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone","IUPAC Name Markup":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one","IUPAC Name Preferred":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one","IUPAC Name Systematic":"(5S)-1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-dodecan-3-one","IUPAC Name Traditional":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dodecan-3-one",InChI:"1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1",InChIKey:"BCIWKKMTBRYQJU-INIZCTEOSA-N","Log P":4.2,"Exact Mass":322.21440945,"Molecular Formula":"C19H30O4","Molecular Weight":322.4,"Monoisotopic Mass":322.21440945,Charge:0,"Easy Name":"8-Gingerol","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C19H30O4"},168115:{PUBCHEM:{CID:"168115","Compound Complexity":345,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":14,"IUPAC Name Allowed":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)tetradecan-3-one","IUPAC Name CAS-like Style":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone","IUPAC Name Markup":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one","IUPAC Name Preferred":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one","IUPAC Name Systematic":"(5S)-1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-tetradecan-3-one","IUPAC Name Traditional":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)tetradecan-3-one",InChI:"1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1",InChIKey:"AIULWNKTYPZYAN-SFHVURJKSA-N","Log P":5.3,"Exact Mass":350.24570957,"Molecular Formula":"C21H34O4","Molecular Weight":350.5,"Monoisotopic Mass":350.24570957,Charge:0,"Easy Name":"10-Gingerol","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C21H34O4"},168667:{PUBCHEM:{CID:"168667","Compound Complexity":128,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloro perchlorate","IUPAC Name CAS-like Style":"Perchloric acid chloro ester","IUPAC Name Markup":"Chloro perchlorate","IUPAC Name Preferred":"Chloro perchlorate","IUPAC Name Systematic":"Chloranyl perchlorate","IUPAC Name Traditional":"Perchloric acid chloro ester",InChI:"1S/Cl2O4/c1-6-2(3,4)5",InChIKey:"JRONPIZRZBBOBR-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":133.9173639,"Molecular Formula":"Cl2O4","Molecular Weight":134.9,"Monoisotopic Mass":133.9173639,Charge:0,"Easy Name":"Chlorine perchlorate","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Cl2O4"},168836:{PUBCHEM:{CID:"168836","Compound Complexity":294,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":9,"IUPAC Name Allowed":"N-[(4-hydroxy-3-methoxy-phenyl)methyl]-7-methyl-octanamide","IUPAC Name CAS-like Style":"N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide","IUPAC Name Markup":"N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide","IUPAC Name Preferred":"N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide","IUPAC Name Systematic":"N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-7-methyl-octanamide","IUPAC Name Traditional":"7-methyl-N-vanillyl-caprylamide",InChI:"1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)",InChIKey:"VQEONGKQWIFHMN-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":293.19909373,"Molecular Formula":"C17H27NO3","Molecular Weight":293.4,"Monoisotopic Mass":293.19909373,Charge:0,"Easy Name":"Nordihydrocapsaicin","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C17H27N1O3"},168924:{PUBCHEM:{CID:"168924","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lanthanum(3+);tricarbonate","IUPAC Name CAS-like Style":"Lanthanum(3+);tricarbonate","IUPAC Name Markup":"Lanthanum(3+);tricarbonate","IUPAC Name Preferred":"Lanthanum(3+);tricarbonate","IUPAC Name Systematic":"Lanthanum(3+);tricarbonate","IUPAC Name Traditional":"Lanthanum(3+);tricarbonate",InChI:"1S/3CH2O3.2La/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",InChIKey:"NZPIUJUFIFZSPW-UHFFFAOYSA-H","Exact Mass":457.76695,"Molecular Formula":"C3La2O9","Molecular Weight":457.84,"Monoisotopic Mass":457.76695,Charge:0,"Easy Name":"Lanthanum carbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White powder"},Density:{Value:"2.6"},Solubility:{Value:"Soluble in acids"},Uses:{Value:"THERAPEUTIC CATEGORY: Treatment of hyperphosphatemia"}},ReducedFormula:"C3La2O9"},168928:{PUBCHEM:{CID:"168928","Compound Complexity":878,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid","IUPAC Name CAS-like Style":"(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid","IUPAC Name Markup":"(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid","IUPAC Name Preferred":"(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid","IUPAC Name Systematic":"(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,6a,6b,8a,11,12,14b-heptamethyl-3-oxidanyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid","IUPAC Name Traditional":"(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid",InChI:"1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1",InChIKey:"NBGQZFQREPIKMG-PONOSELZSA-N","Log P":8.3,"Exact Mass":456.36034541,"Molecular Formula":"C30H48O3","Molecular Weight":456.7,"Monoisotopic Mass":456.36034541,Charge:0,"Easy Name":"Β-boswellic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C30H48O3"},169195:{PUBCHEM:{CID:"169195","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Gold(3+);oxygen(2-);hydroxide","IUPAC Name CAS-like Style":"Gold(3+);oxygen(2-);hydroxide","IUPAC Name Markup":"Gold(3+);oxygen(2-);hydroxide","IUPAC Name Preferred":"Gold(3+);oxygen(2-);hydroxide","IUPAC Name Systematic":"Gold(3+);oxygen(2-);hydroxide","IUPAC Name Traditional":"Gold(3+);oxygen(2-);hydroxide",InChI:"1S/Au.H2O.O/h;1H2;/q+3;;-2/p-1",InChIKey:"WERKFXMKNRHTGM-UHFFFAOYSA-M","Exact Mass":229.964224,"Molecular Formula":"AuHO2","Molecular Weight":229.973,"Monoisotopic Mass":229.964224,Charge:0,"Easy Name":"EINECS:250-336-9","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Au1H1O2"},169300:{PUBCHEM:{CID:"169300","Compound Complexity":10,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;gold(3+);tetracyanide","IUPAC Name CAS-like Style":"Sodium;gold(3+);tetracyanide","IUPAC Name Markup":"Sodium;gold(3+);tetracyanide","IUPAC Name Preferred":"Sodium;gold(3+);tetracyanide","IUPAC Name Systematic":"Sodium;gold(3+);tetracyanide","IUPAC Name Traditional":"Sodium;gold(3+);tetracyanide",InChI:"1S/4CN.Au.Na/c4*1-2;;/q4*-1;+3;+1",InChIKey:"RTLMFXCEYQGKRK-UHFFFAOYSA-N","Exact Mass":323.968635,"Molecular Formula":"C4AuN4Na","Molecular Weight":324.03,"Monoisotopic Mass":323.968635,Charge:0,"Easy Name":"Gold (3+) sodium cyanide (1:1:4)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1C4N4Na1"},169802:{PUBCHEM:{CID:"169802","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydron;iridium(3+);hexachloride","IUPAC Name CAS-like Style":"Hydron;iridium(3+);hexachloride","IUPAC Name Markup":"Hydron;iridium(3+);hexachloride","IUPAC Name Preferred":"Hydron;iridium(3+);hexachloride","IUPAC Name Systematic":"Hydron;iridium(3+);hexachloride","IUPAC Name Traditional":"Hydron;iridium(3+);hexachloride",InChI:"1S/6ClH.Ir/h6*1H;/q;;;;;;+3/p-3",InChIKey:"BFRMIVGBOLXIGM-UHFFFAOYSA-K","Exact Mass":407.79656,"Molecular Formula":"Cl6H3Ir","Molecular Weight":407.9,"Monoisotopic Mass":405.79952,Charge:0,"Easy Name":"Iridium (3+) hydrogen chloride (1:3:6)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6H3Ir1"},169803:{PUBCHEM:{CID:"169803","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rhenium;tetrabromide","IUPAC Name CAS-like Style":"Rhenium;tetrabromide","IUPAC Name Markup":"Rhenium;tetrabromide","IUPAC Name Preferred":"Rhenium;tetrabromide","IUPAC Name Systematic":"Rhenium;tetrabromide","IUPAC Name Traditional":"Rhenium;tetrabromide",InChI:"1S/4BrH.Re/h4*1H;/p-4",InChIKey:"VZNJRGXVXJNOHG-UHFFFAOYSA-J","Exact Mass":506.625,"Molecular Formula":"Br4Re-4","Molecular Weight":505.82,"Monoisotopic Mass":502.6291,Charge:-4,"Easy Name":"Rhenium Tetrabromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-4Br4Re1"},171548:{PUBCHEM:{CID:"171548","Compound Complexity":298,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid","IUPAC Name CAS-like Style":"5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid","IUPAC Name Markup":"5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid","IUPAC Name Preferred":"5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid","IUPAC Name Systematic":"5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid","IUPAC Name Traditional":"5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeric acid",InChI:"1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",InChIKey:"YBJHBAHKTGYVGT-ZKWXMUAHSA-N","Log P":.3,"Exact Mass":244.08816356,"Molecular Formula":"C10H16N2O3S","Molecular Weight":244.31,"Monoisotopic Mass":244.08816356,Charge:0,"Easy Name":"Biotin","Easy Category":"Vitamin"},HSDB:{"Color And Form":{Value:"Long, thin needles from water"},"Melting Point":{Value:"232 °C (decomposes)"},Solubility:{Value:"Insol in naphtha"},Uses:{Value:"... Recommended for first-line treatment of weak, brittle, splitting, or soft nails /Appearex/"},"Vapor Pressure":{Value:"1.07X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H16N2O3S1"},174174:{PUBCHEM:{CID:"174174","Compound Complexity":353,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate","IUPAC Name CAS-like Style":"3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester","IUPAC Name Markup":"[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate","IUPAC Name Preferred":"[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate","IUPAC Name Systematic":"[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate","IUPAC Name Traditional":"3-hydroxy-2-phenyl-propionic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester",InChI:"1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?",InChIKey:"RKUNBYITZUJHSG-PJPHBNEVSA-N","Log P":1.8,"Exact Mass":289.1677936,"Molecular Formula":"C17H23NO3","Molecular Weight":289.4,"Monoisotopic Mass":289.1677936,Charge:0,"Easy Name":"Atropine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Long, orthorhombic prisms from acetone"},"Melting Point":{Value:"118.5 °C"},pH:{Value:"pH of 0.0015 molar soln: 10.0"},Solubility:{Value:"1 g in: ... 2 mL alcohol, 25 mL ether, 27 mL glycerol, 1 mL chloroform; also sol in benzene, in dil acids"},Uses:{Value:"MEDICATION (VET)"}},ReducedFormula:"C17H23N1O3"},175967:{PUBCHEM:{CID:"175967","Compound Complexity":627,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione","IUPAC Name CAS-like Style":"2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione","IUPAC Name Markup":"2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione","IUPAC Name Preferred":"2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione","IUPAC Name Systematic":"2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione","IUPAC Name Traditional":"2-(4-mesyl-2-nitro-benzoyl)cyclohexane-1,3-quinone",InChI:"1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3",InChIKey:"KPUREKXXPHOJQT-UHFFFAOYSA-N","Log P":.7,"Exact Mass":339.04127294,"Molecular Formula":"C14H13NO7S","Molecular Weight":339.32,"Monoisotopic Mass":339.04127294,Charge:0,"Easy Name":"2- (4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1, 3-dione","Easy Category":"Herbicide"},HSDB:{"Color And Form":{Value:"Pale yellow solid"},"Melting Point":{Value:"165 °C"},Odor:{Value:"Faint pleasant odor"},Solubility:{Value:"In water, (g/L at 20 °C): 2.2 (pH 4.8); 15 (pH 6.9); 22 (pH 9); 0.16 (unbuffered water)"},Uses:{Value:"For mesotrione (USEPA/OPP Pesticide Code: 122990) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"<5.69X10-3 mPa /<4.27X10-8 mm Hg)/ at 20 °C"}},ReducedFormula:"C14H13N1O7S1"},176457:{PUBCHEM:{CID:"176457","Compound Complexity":623,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;chloride","IUPAC Name CAS-like Style":"(2S,3R,4S,5R,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol;chloride","IUPAC Name Markup":"(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride","IUPAC Name Preferred":"(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride","IUPAC Name Systematic":"(2S,3R,4S,5R,6R)-2-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride","IUPAC Name Traditional":"(2S,3R,4S,5R,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol;chloride",InChI:"1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17+,18+,19-,21-;/m1./s1",InChIKey:"YTMNONATNXDQJF-QSLGVYCOSA-N","Exact Mass":484.0772392,"Molecular Formula":"C21H21ClO11","Molecular Weight":484.8,"Monoisotopic Mass":484.0772392,Charge:0,"Easy Name":"Idaein chloride","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"C21Cl1H21O11"},177710:{PUBCHEM:{CID:"177710","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorosilver(1-)","IUPAC Name CAS-like Style":"Dichlorosilver(1-)","IUPAC Name Markup":"Dichlorosilver(1-)","IUPAC Name Preferred":"Dichlorosilver(1-)","IUPAC Name Systematic":"Bis(chloranyl)silver(1-)","IUPAC Name Traditional":"Dichlorosilver(1-)",InChI:"1S/Ag.2ClH/h;2*1H/q+1;;/p-2",InChIKey:"COOULFJGBRKEIY-UHFFFAOYSA-L","Exact Mass":176.8428,"Molecular Formula":"AgCl2-","Molecular Weight":178.77,"Monoisotopic Mass":176.8428,Charge:-1,"Easy Name":"Dichloroargentate (1-)","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1Ag1Cl2"},177717:{PUBCHEM:{CID:"177717","Compound Complexity":194,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfonato sulfate","IUPAC Name CAS-like Style":"Sulfonato sulfate","IUPAC Name Markup":"Sulfonato sulfate","IUPAC Name Preferred":"Sulfonato sulfate","IUPAC Name Systematic":"Sulfonato sulfate","IUPAC Name Traditional":"Sulfonato sulfate",InChI:"1S/H2O7S2/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2",InChIKey:"VFNGKCDDZUSWLR-UHFFFAOYSA-L","Log P":-1.9,"Exact Mass":175.90854469,"Molecular Formula":"O7S2-2","Molecular Weight":176.13,"Monoisotopic Mass":175.90854469,Charge:-2,"Easy Name":"Pyrosulfate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2O7S2"},177769:{PUBCHEM:{CID:"177769","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Plumbous;bromide;hydroxide","IUPAC Name CAS-like Style":"Lead(2+);bromide;hydroxide","IUPAC Name Markup":"Lead(2+);bromide;hydroxide","IUPAC Name Preferred":"Lead(2+);bromide;hydroxide","IUPAC Name Systematic":"Lead(2+);bromide;hydroxide","IUPAC Name Traditional":"Plumbous;bromide;hydroxide",InChI:"1S/BrH.H2O.Pb/h1H;1H2;/q;;+2/p-2",InChIKey:"GICVDWPSTDKJFF-UHFFFAOYSA-L","Exact Mass":303.89773,"Molecular Formula":"BrHOPb","Molecular Weight":304,"Monoisotopic Mass":303.89773,Charge:0,"Easy Name":"Lead (2+) bromide hydroxide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1H1O1Pb1"},178132:{PUBCHEM:{CID:"178132","Compound Complexity":628,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"8-[4-[[(3S)-5-methoxychroman-3-yl]-propyl-amino]butyl]-8-azaspiro[4.5]decane-7,9-dione","IUPAC Name CAS-like Style":"8-[4-[[(3S)-5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione","IUPAC Name Markup":"8-[4-[[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione","IUPAC Name Preferred":"8-[4-[[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione","IUPAC Name Systematic":"8-[4-[[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propyl-amino]butyl]-8-azaspiro[4.5]decane-7,9-dione","IUPAC Name Traditional":"8-[4-[[(3S)-5-methoxychroman-3-yl]-propyl-amino]butyl]-8-azaspiro[4.5]decane-7,9-quinone",InChI:"1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3/t20-/m0/s1",InChIKey:"DLLULNTXJPATBC-FQEVSTJZSA-N","Log P":4.6,"Exact Mass":442.28315771,"Molecular Formula":"C26H38N2O4","Molecular Weight":442.6,"Monoisotopic Mass":442.28315771,Charge:0,"Easy Name":"Alnespirone","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C26H38N2O4"},180535:{PUBCHEM:{CID:"180535","Compound Complexity":1060,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hexyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name CAS-like Style":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Markup":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Preferred":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Systematic":"(2S,8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-heptan-2-yl]-2,16-bis(oxidanyl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Traditional":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hexyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone",InChI:"1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23,31-32,36-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1",InChIKey:"ITMUUFDDBRYVNJ-VOKXYEOFSA-N","Log P":2.1,"Exact Mass":518.32435382,"Molecular Formula":"C30H46O7","Molecular Weight":518.7,"Monoisotopic Mass":518.32435382,Charge:0,"Easy Name":"Cucurbitacin R","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H46O7"},181085:{PUBCHEM:{CID:"181085","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromic;sodium;oxygen(2-)","IUPAC Name CAS-like Style":"Sodium;chromium(3+);oxygen(2-)","IUPAC Name Markup":"Sodium;chromium(3+);oxygen(2-)","IUPAC Name Preferred":"Sodium;chromium(3+);oxygen(2-)","IUPAC Name Systematic":"Sodium;chromium(3+);oxygen(2-)","IUPAC Name Traditional":"Chromic;sodium;oxygen(2-)",InChI:"1S/Cr.Na.2O/q+3;+1;2*-2",InChIKey:"ALMAEWAETUQTEP-UHFFFAOYSA-N","Exact Mass":106.920104,"Molecular Formula":"CrNaO2","Molecular Weight":106.985,"Monoisotopic Mass":106.920104,Charge:0,"Easy Name":"Sodium chromite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1Na1O2"},181572:{PUBCHEM:{CID:"181572","Compound Complexity":393,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":31,"IUPAC Name Allowed":"Tritriacontanoic acid","IUPAC Name CAS-like Style":"Tritriacontanoic acid","IUPAC Name Markup":"Tritriacontanoic acid","IUPAC Name Preferred":"Tritriacontanoic acid","IUPAC Name Systematic":"Tritriacontanoic acid","IUPAC Name Traditional":"Ceromelissic acid",InChI:"1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35/h2-32H2,1H3,(H,34,35)",InChIKey:"HQRWEDFDJHDPJC-UHFFFAOYSA-N","Log P":15.6,"Exact Mass":494.50628137,"Molecular Formula":"C33H66O2","Molecular Weight":494.9,"Monoisotopic Mass":494.50628137,Charge:0,"Easy Name":"Psyllic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C33H66O2"},181883:{PUBCHEM:{CID:"181883","Compound Complexity":574,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"(2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol","IUPAC Name CAS-like Style":"(2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]heneicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol","IUPAC Name Markup":"(2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol","IUPAC Name Preferred":"(2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol","IUPAC Name Systematic":"(2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol","IUPAC Name Traditional":"(2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]heneicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol",InChI:"1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",InChIKey:"DDJVLBCETGUEBO-AZUAARDMSA-N","Log P":2.5,"Exact Mass":338.11542368,"Molecular Formula":"C20H18O5","Molecular Weight":338.4,"Monoisotopic Mass":338.11542368,Charge:0,"Easy Name":"Glyceollin II","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C20H18O5"},182210:{PUBCHEM:{CID:"182210","Compound Complexity":368,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"4-[[4-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-3-yl]methyl]-2-methoxy-phenol","IUPAC Name CAS-like Style":"4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-oxolanyl]methyl]-2-methoxyphenol","IUPAC Name Markup":"4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol","IUPAC Name Preferred":"4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol","IUPAC Name Systematic":"2-methoxy-4-[[4-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-3-yl]methyl]phenol","IUPAC Name Traditional":"2-methoxy-4-[(4-vanillyltetrahydrofuran-3-yl)methyl]phenol",InChI:"1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3",InChIKey:"ROGUIJKVZZROIQ-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":344.16237387,"Molecular Formula":"C20H24O5","Molecular Weight":344.4,"Monoisotopic Mass":344.16237387,Charge:0,"Easy Name":"3, 4-Divanillyltetrahydrofuran","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H24O5"},182232:{PUBCHEM:{CID:"182232","Compound Complexity":364,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol","IUPAC Name CAS-like Style":"(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","IUPAC Name Markup":"(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Preferred":"(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Systematic":"(2S,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Traditional":"(2S,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol",InChI:"1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1",InChIKey:"PFTAWBLQPZVEMU-ZFWWWQNUSA-N","Log P":.4,"Exact Mass":290.07903817,"Molecular Formula":"C15H14O6","Molecular Weight":290.27,"Monoisotopic Mass":290.07903817,Charge:0,"Easy Name":" (+)-Epicatechin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H14O6"},184849:{PUBCHEM:{CID:"184849","Compound Complexity":454,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":8,"IUPAC Name Allowed":"(2S)-2,5-dibenzamidopentanoic acid","IUPAC Name CAS-like Style":"(2S)-2,5-dibenzamidopentanoic acid","IUPAC Name Markup":"(2S)-2,5-dibenzamidopentanoic acid","IUPAC Name Preferred":"(2S)-2,5-dibenzamidopentanoic acid","IUPAC Name Systematic":"(2S)-2,5-dibenzamidopentanoic acid","IUPAC Name Traditional":"(2S)-2,5-dibenzamidovaleric acid",InChI:"1S/C19H20N2O4/c22-17(14-8-3-1-4-9-14)20-13-7-12-16(19(24)25)21-18(23)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,20,22)(H,21,23)(H,24,25)/t16-/m0/s1",InChIKey:"NTRBNFOLBJWRAO-INIZCTEOSA-N","Log P":2.5,"Exact Mass":340.14230713,"Molecular Formula":"C19H20N2O4","Molecular Weight":340.4,"Monoisotopic Mass":340.14230713,Charge:0,"Easy Name":"L-Ornithuric acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C19H20N2O4"},185600:{PUBCHEM:{CID:"185600","Compound Complexity":32,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"1,3-dichloropropan-1-ol","IUPAC Name CAS-like Style":"1,3-dichloro-1-propanol","IUPAC Name Markup":"1,3-dichloropropan-1-ol","IUPAC Name Preferred":"1,3-dichloropropan-1-ol","IUPAC Name Systematic":"1,3-bis(chloranyl)propan-1-ol","IUPAC Name Traditional":"1,3-dichloropropan-1-ol",InChI:"1S/C3H6Cl2O/c4-2-1-3(5)6/h3,6H,1-2H2",InChIKey:"IFDLXKQSUOWIBO-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":127.9795702,"Molecular Formula":"C3H6Cl2O","Molecular Weight":128.98,"Monoisotopic Mass":127.9795702,Charge:0,"Easy Name":"1, 3-dichloropropan-1-ol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C3Cl2H6O1"},185617:{PUBCHEM:{CID:"185617","Compound Complexity":777,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":7,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6S)-6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",InChI:"1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",InChIKey:"DJSISFGPUUYILV-ZFORQUDYSA-N","Log P":.8,"Exact Mass":462.07982602,"Molecular Formula":"C21H18O12","Molecular Weight":462.4,"Monoisotopic Mass":462.07982602,Charge:0,"Easy Name":"Scutellarin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C21H18O12"},185698:{PUBCHEM:{CID:"185698","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4S,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",InChIKey:"WQZGKKKJIJFFOK-PQMKYFCFSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Mannopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},186148:{PUBCHEM:{CID:"186148","Compound Complexity":81.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2H-pyran","IUPAC Name CAS-like Style":"2H-pyran","IUPAC Name Markup":"2H-pyran","IUPAC Name Preferred":"2H-pyran","IUPAC Name Systematic":"2H-pyran","IUPAC Name Traditional":"2H-pyran",InChI:"1S/C5H6O/c1-2-4-6-5-3-1/h1-4H,5H2",InChIKey:"MGADZUXDNSDTHW-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":82.041864813,"Molecular Formula":"C5H6O","Molecular Weight":82.1,"Monoisotopic Mass":82.041864813,Charge:0,"Easy Name":"2H-Pyran","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C5H6O1"},187574:{PUBCHEM:{CID:"187574","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxoosmium","IUPAC Name CAS-like Style":"Dioxoosmium","IUPAC Name Markup":"Dioxoosmium","IUPAC Name Preferred":"Dioxoosmium","IUPAC Name Systematic":"Bis(oxidanylidene)osmium","IUPAC Name Traditional":"Diketoosmium",InChI:"1S/2O.Os",InChIKey:"XSXHWVKGUXMUQE-UHFFFAOYSA-N","Exact Mass":223.95131,"Molecular Formula":"O2Os","Molecular Weight":222.2,"Monoisotopic Mass":223.95131,Charge:0,"Easy Name":"Osmium dioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O2Os1"},187680:{PUBCHEM:{CID:"187680","Compound Complexity":186,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3,4-tetrabromonaphthalene","IUPAC Name CAS-like Style":"1,2,3,4-tetrabromonaphthalene","IUPAC Name Markup":"1,2,3,4-tetrabromonaphthalene","IUPAC Name Preferred":"1,2,3,4-tetrabromonaphthalene","IUPAC Name Systematic":"1,2,3,4-tetrakis(bromanyl)naphthalene","IUPAC Name Traditional":"1,2,3,4-tetrabromonaphthalene",InChI:"1S/C10H4Br4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H",InChIKey:"VZQGIXBRWYLDST-UHFFFAOYSA-N","Log P":5.9,"Exact Mass":443.70055,"Molecular Formula":"C10H4Br4","Molecular Weight":443.75,"Monoisotopic Mass":439.70465,Charge:0,"Easy Name":"1, 2, 3, 4-tetrabromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br4C10H4"},187790:{PUBCHEM:{CID:"187790","Compound Complexity":417,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one","IUPAC Name CAS-like Style":"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one","IUPAC Name Markup":"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one","IUPAC Name Preferred":"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one","IUPAC Name Systematic":"2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one","IUPAC Name Traditional":"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one",InChI:"1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1",InChIKey:"YKBGVTZYEHREMT-KVQBGUIXSA-N","Log P":-1.3,"Exact Mass":267.09675392,"Molecular Formula":"C10H13N5O4","Molecular Weight":267.24,"Monoisotopic Mass":267.09675392,Charge:0,"Easy Name":"Deoxyguanosine","Easy Category":"Nucleoside"},HSDB:{},ReducedFormula:"C10H13N5O4"},188289:{PUBCHEM:{CID:"188289","Compound Complexity":702,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(1S,2S,3S,5S,8R,11R,12S)-5-(3-furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione","IUPAC Name CAS-like Style":"(1S,2S,3S,5S,8R,11R,12S)-5-(3-furanyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione","IUPAC Name Markup":"(1S,2S,3S,5S,8R,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione","IUPAC Name Preferred":"(1S,2S,3S,5S,8R,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione","IUPAC Name Systematic":"(1S,2S,3S,5S,8R,11R,12S)-5-(furan-3-yl)-3,11-dimethyl-12-oxidanyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione","IUPAC Name Traditional":"(1S,2S,3S,5S,8R,11R,12S)-5-(3-furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-quinone",InChI:"1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13-,14-,15-,18+,19+,20+/m0/s1",InChIKey:"AALLCALQGXXWNA-DURQJQQASA-N","Log P":2.2,"Exact Mass":358.14163843,"Molecular Formula":"C20H22O6","Molecular Weight":358.4,"Monoisotopic Mass":358.14163843,Charge:0,"Easy Name":"Columbin","Easy Category":"Terpenoid"},HSDB:{},ReducedFormula:"C20H22O6"},189934:{PUBCHEM:{CID:"189934","Compound Complexity":112,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Methyl 2,2-dichlorobutanoate","IUPAC Name CAS-like Style":"2,2-dichlorobutanoic acid methyl ester","IUPAC Name Markup":"Methyl 2,2-dichlorobutanoate","IUPAC Name Preferred":"Methyl 2,2-dichlorobutanoate","IUPAC Name Systematic":"Methyl 2,2-bis(chloranyl)butanoate","IUPAC Name Traditional":"2,2-dichlorobutyric acid methyl ester",InChI:"1S/C5H8Cl2O2/c1-3-5(6,7)4(8)9-2/h3H2,1-2H3",InChIKey:"VAPJFYJBCCPOAV-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":169.9901349,"Molecular Formula":"C5H8Cl2O2","Molecular Weight":171.02,"Monoisotopic Mass":169.9901349,Charge:0,"Easy Name":"Methyl 2, 2-dichlorobutanoate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C5Cl2H8O2"},190212:{PUBCHEM:{CID:"190212","Compound Complexity":222,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":2,InChI:"1S/H2O6S5/c1-10(2,3)8-7-9-11(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2",InChIKey:"JEIULZGUODBGJK-UHFFFAOYSA-L","Log P":-.7,"Exact Mass":255.82984359,"Molecular Formula":"O6S5-2","Molecular Weight":256.3,"Monoisotopic Mass":255.82984359,Charge:-2,"Easy Name":"Pentathionate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2O6S5"},190213:{PUBCHEM:{CID:"190213","Compound Complexity":249,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":2,"Rotatable Bond":4,InChI:"1S/H2O6S5/c1-10(2,3)8-7-9-11(4,5)6/h(H,1,2,3)(H,4,5,6)",InChIKey:"JEIULZGUODBGJK-UHFFFAOYSA-N","Log P":-.5,"Exact Mass":257.84549365,"Molecular Formula":"H2O6S5","Molecular Weight":258.3,"Monoisotopic Mass":257.84549365,Charge:0,"Easy Name":"Pentathionic Acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O6S5"},192513:{PUBCHEM:{CID:"192513","Compound Complexity":114,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Perbromic acid","IUPAC Name CAS-like Style":"Perbromic acid","IUPAC Name Markup":"Perbromic acid","IUPAC Name Preferred":"Perbromic acid","IUPAC Name Systematic":"Perbromic acid","IUPAC Name Traditional":"Perbromic acid",InChI:"1S/BrHO4/c2-1(3,4)5/h(H,2,3,4,5)",InChIKey:"LLYCMZGLHLKPPU-UHFFFAOYSA-N","Log P":-1.2,"Exact Mass":143.90582,"Molecular Formula":"BrHO4","Molecular Weight":144.91,"Monoisotopic Mass":143.90582,Charge:0,"Easy Name":"Perbromic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"Br1H1O4"},193993:{PUBCHEM:{CID:"193993","Compound Complexity":748,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":10,"IUPAC Name Allowed":"O5-(butanoyloxymethyl) O3-methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name CAS-like Style":"(4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(1-oxobutoxymethyl) ester","IUPAC Name Markup":"5-O-(butanoyloxymethyl) 3-O-methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Preferred":"5-O-(butanoyloxymethyl) 3-O-methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Systematic":"O5-(butanoyloxymethyl) O3-methyl (4R)-4-[2,3-bis(chloranyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Traditional":"(4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(butyryloxymethyl) ester O3-methyl ester",InChI:"1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3/t18-/m1/s1",InChIKey:"KPBZROQVTHLCDU-GOSISDBHSA-N","Log P":4.3,"Exact Mass":455.0902429,"Molecular Formula":"C21H23Cl2NO6","Molecular Weight":456.3,"Monoisotopic Mass":455.0902429,Charge:0,"Easy Name":"Clevidipine","Easy Category":"Calcium channel blockers"},HSDB:{},ReducedFormula:"C21Cl2H23N1O6"},197081:{PUBCHEM:{CID:"197081","Compound Complexity":623,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;chloride","IUPAC Name CAS-like Style":"(2S,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol;chloride","IUPAC Name Markup":"(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride","IUPAC Name Preferred":"(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride","IUPAC Name Systematic":"(2S,3R,4S,5S,6R)-2-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride","IUPAC Name Traditional":"(2S,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol;chloride",InChI:"1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1",InChIKey:"YTMNONATNXDQJF-UBNZBFALSA-N","Exact Mass":484.0772392,"Molecular Formula":"C21H21ClO11","Molecular Weight":484.8,"Monoisotopic Mass":484.0772392,Charge:0,"Easy Name":"Chrysanthemin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"C21Cl1H21O11"},197088:{PUBCHEM:{CID:"197088","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);sulfate","IUPAC Name CAS-like Style":"Rubidium(1+);sulfate","IUPAC Name Markup":"Rubidium(1+);sulfate","IUPAC Name Preferred":"Rubidium(1+);sulfate","IUPAC Name Systematic":"Rubidium(1+);sulfate","IUPAC Name Traditional":"Rubidium(1+);sulfate",InChI:"1S/H2O4S.2Rb/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2",InChIKey:"GANPIEKBSASAOC-UHFFFAOYSA-L","Exact Mass":265.7753091,"Molecular Formula":"O4Rb2S","Molecular Weight":267,"Monoisotopic Mass":265.7753091,Charge:0,"Easy Name":"Rubidium sulfate","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"O4Rb2S1"},197096:{PUBCHEM:{CID:"197096","Compound Complexity":0,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;oxygen(2-);uranium","IUPAC Name CAS-like Style":"Diammonium;oxygen(2-);uranium","IUPAC Name Markup":"Diazanium;oxygen(2-);uranium","IUPAC Name Preferred":"Diazanium;oxygen(2-);uranium","IUPAC Name Systematic":"Diazanium;oxygen(2-);uranium","IUPAC Name Traditional":"Diammonium;oxygen(2-);uranium",InChI:"1S/2H3N.7O.2U/h2*1H3;;;;;;;;;/q;;7*-2;;/p+2",InChIKey:"ZAASRHQPRFFWCS-UHFFFAOYSA-P","Exact Mass":624.13472,"Molecular Formula":"H8N2O7U2-12","Molecular Weight":624.13,"Monoisotopic Mass":624.13472,Charge:-12,"Easy Name":"Ammonium diuranate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-12H8N2O7U2"},198144:{PUBCHEM:{CID:"198144","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibismuth;trisulfate","IUPAC Name CAS-like Style":"Dibismuth;trisulfate","IUPAC Name Markup":"Dibismuth;trisulfate","IUPAC Name Preferred":"Dibismuth;trisulfate","IUPAC Name Systematic":"Dibismuth;trisulfate","IUPAC Name Traditional":"Dibismuth;trisulfate",InChI:"1S/2Bi.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"BEQZMQXCOWIHRY-UHFFFAOYSA-H","Exact Mass":705.81599,"Molecular Formula":"Bi2O12S3","Molecular Weight":706.2,"Monoisotopic Mass":705.81599,Charge:0,"Easy Name":"Bismuth sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi2O12S3"},200164:{PUBCHEM:{CID:"200164","Compound Complexity":103,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hexanedioate","IUPAC Name CAS-like Style":"Hexanedioate","IUPAC Name Markup":"Hexanedioate","IUPAC Name Preferred":"Hexanedioate","IUPAC Name Systematic":"Hexanedioate","IUPAC Name Traditional":"Adipate",InChI:"1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2",InChIKey:"WNLRTRBMVRJNCN-UHFFFAOYSA-L","Log P":1.4,"Exact Mass":144.042258736,"Molecular Formula":"C6H8O4-2","Molecular Weight":144.12,"Monoisotopic Mass":144.042258736,Charge:-2,"Easy Name":"Adipate","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"337.5 °C at 760 mm Hg: 265 °C at 100 mm Hg: 240.5 °C at 40 mm Hg: 222 °Cat 20 mm Hg: 205.5 °C at 10 mm Hg; 191 °C at 5 mm Hg; 159.5 °C at 1.0 mm Hg"},"Color And Form":{Value:"Monoclinic prisms from ethyl acetate, water, or acetone and petroleum ether"},Density:{Value:"1.360 g/cu m at 25 °C"},"Heat Of Vaporization":{Value:"549 kJ/kg"},"Melting Point":{Value:"151.5 °C"},"NFPA Hazard Classification":{Value:"0-1-0"},Odor:{Value:"Odorless"},pH:{Value:"pH of saturated aqueous solution at 25 °C = 2.7; pH of 0.1% solution at 25 °C = 3.2"},Solubility:{Value:"In water, 3.00X10+4 mg/L at 30 °C"},Taste:{Value:"TART TASTE"},Uses:{Value:"The major markets for adipic acid include use as feedstocks for nylon 6,6 resins and fibers, polyester polyols and plasticzers."},"Vapor Density":{Value:"5.04 (Air = 1)"},"Vapor Pressure":{Value:"3.02X10-5 Pa at 25 °C (2.27X10-7 mm Hg)"},Viscosity:{Value:"Viscosity of melt: 4.54 cP at 160 °C; 2.64 cP at 193 °C"}},ReducedFormula:"-2C6H8O4"},202321:{PUBCHEM:{CID:"202321","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;dihydrogen arsorate","IUPAC Name CAS-like Style":"Sodium;dihydrogen arsorate","IUPAC Name Markup":"Sodium;dihydrogen arsorate","IUPAC Name Preferred":"Sodium;dihydrogen arsorate","IUPAC Name Systematic":"Sodium;dihydrogen arsorate","IUPAC Name Traditional":"Sodium;dihydrogen arsorate",InChI:"1S/AsH3O4.Na/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+1/p-1",InChIKey:"XCVRTGQHVBWRJB-UHFFFAOYSA-M","Exact Mass":163.906672,"Molecular Formula":"AsH2NaO4","Molecular Weight":163.925,"Monoisotopic Mass":163.906672,Charge:0,"Easy Name":"Sodium dihydrogen arsenate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"As1H2Na1O4"},202589:{PUBCHEM:{CID:"202589","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bismuth;potassium;oxygen(2-)","IUPAC Name CAS-like Style":"Bismuth;potassium;oxygen(2-)","IUPAC Name Markup":"Bismuth;potassium;oxygen(2-)","IUPAC Name Preferred":"Bismuth;potassium;oxygen(2-)","IUPAC Name Systematic":"Bismuth;potassium;oxygen(2-)","IUPAC Name Traditional":"Bismuth;potassium;oxygen(2-)",InChI:"1S/Bi.K.3O/q+3;+1;3*-2",InChIKey:"QMDJKUZBYOKBRS-UHFFFAOYSA-N","Exact Mass":295.92885,"Molecular Formula":"BiKO3-2","Molecular Weight":296.077,"Monoisotopic Mass":295.92885,Charge:-2,"Easy Name":"Potassium bismuthate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-2Bi1K1O3"},203094:{PUBCHEM:{CID:"203094","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Triammonium;vanadium;hexafluoride","IUPAC Name CAS-like Style":"Triammonium;vanadium;hexafluoride","IUPAC Name Markup":"Triazanium;vanadium;hexafluoride","IUPAC Name Preferred":"Triazanium;vanadium;hexafluoride","IUPAC Name Systematic":"Triazanium;vanadium;hexafluoride","IUPAC Name Traditional":"Triammonium;vanadium;hexafluoride",InChI:"1S/6FH.3H3N.V/h6*1H;3*1H3;/p-3",InChIKey:"PURSFTZXXIKJST-UHFFFAOYSA-K","Exact Mass":219.037498,"Molecular Formula":"F6H12N3V-3","Molecular Weight":219.05,"Monoisotopic Mass":219.037498,Charge:-3,"Easy Name":"Triammonium hexafluorovanadate (3-)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-3F6H12N3V1"},208923:{PUBCHEM:{CID:"208923","Compound Complexity":690,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethyl-chromen-2-one","IUPAC Name CAS-like Style":"7-methoxy-6-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]-3,4-dimethyl-1-benzopyran-2-one","IUPAC Name Markup":"7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one","IUPAC Name Preferred":"7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one","IUPAC Name Systematic":"7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethyl-chromen-2-one","IUPAC Name Traditional":"7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazino]propoxy]-3,4-dimethyl-coumarin",InChI:"1S/C26H32N2O5/c1-18-19(2)26(29)33-23-17-24(31-4)25(16-20(18)23)32-15-7-10-27-11-13-28(14-12-27)21-8-5-6-9-22(21)30-3/h5-6,8-9,16-17H,7,10-15H2,1-4H3",InChIKey:"FQELZLMTAPJJOL-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":452.23112214,"Molecular Formula":"C26H32N2O5","Molecular Weight":452.5,"Monoisotopic Mass":452.23112214,Charge:0,"Easy Name":"Ensaculin","Easy Category":"Coumarins"},HSDB:{},ReducedFormula:"C26H32N2O5"},210326:{PUBCHEM:{CID:"210326","Compound Complexity":652,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"[8-(2,6-diethyl-4-methyl-phenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate","IUPAC Name CAS-like Style":"2,2-dimethylpropanoic acid [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] ester","IUPAC Name Markup":"[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate","IUPAC Name Preferred":"[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate","IUPAC Name Systematic":"[8-(2,6-diethyl-4-methyl-phenyl)-7-oxidanylidene-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate","IUPAC Name Traditional":"2,2-dimethylpropionic acid [8-(2,6-diethyl-4-methyl-phenyl)-7-keto-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] ester",InChI:"1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3",InChIKey:"MGOHCFMYLBAPRN-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":400.23620752,"Molecular Formula":"C23H32N2O4","Molecular Weight":400.5,"Monoisotopic Mass":400.23620752,Charge:0,"Easy Name":"Pinoxaden","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Color And Form":{Value:"Fine white powder"},Density:{Value:"1.16 at 21 °C"},"Melting Point":{Value:"120.5-121.6 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH 4.71 at 25 °C"},Solubility:{Value:"Solubilities (g/L): acetone 250; dichloromethane >500; ethyl acetate 130; hexane 1.0; methanol 260; octanol 140; toluene 130"},"Vapor Pressure":{Value:"2.0X10-4 mPa at 20 °C; 4.6X10-4 mPa at 25 °C /SRC: 3.5X10-9 mm Hg at 25 °C/"}},ReducedFormula:"C23H32N2O4"},212347:{PUBCHEM:{CID:"212347","Compound Complexity":650,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"(7-isopropyl-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-yl) acetate","IUPAC Name CAS-like Style":"Acetic acid (2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-yl) ester","IUPAC Name Markup":"(2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-yl) acetate","IUPAC Name Preferred":"(2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-yl) acetate","IUPAC Name Systematic":"(2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-yl) ethanoate","IUPAC Name Traditional":"Acetic acid (7-isopropyl-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-yl) ester",InChI:"1S/C24H39NO3/c1-13(2)22-19(27-14(3)26)11-18-16-7-6-15-10-21-25-12-20(28-21)24(15,5)17(16)8-9-23(18,22)4/h13,15-22,25H,6-12H2,1-5H3",InChIKey:"DHRIIIUBPCQKPA-UHFFFAOYSA-N","Log P":5.5,"Exact Mass":389.29299412,"Molecular Formula":"C24H39NO3","Molecular Weight":389.6,"Monoisotopic Mass":389.29299412,Charge:0,"Easy Name":"Samandinine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C24H39N1O3"},219042:{PUBCHEM:{CID:"219042","Compound Complexity":607,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":7,"Rotatable Bond":12,"IUPAC Name Allowed":"(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(1S)-1-(carboxymethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid","IUPAC Name CAS-like Style":"(4S)-4-[[(2S)-2-amino-1-oxopropyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","IUPAC Name Markup":"(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","IUPAC Name Preferred":"(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","IUPAC Name Systematic":"(4S)-4-[[(2S)-2-azanylpropanoyl]amino]-5-[[(2S)-1-(2-hydroxy-2-oxoethylamino)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid","IUPAC Name Traditional":"(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(1S)-1-(carboxymethyl)-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid",InChI:"1S/C14H22N4O9/c1-6(15)12(25)17-7(2-3-9(19)20)14(27)18-8(4-10(21)22)13(26)16-5-11(23)24/h6-8H,2-5,15H2,1H3,(H,16,26)(H,17,25)(H,18,27)(H,19,20)(H,21,22)(H,23,24)/t6-,7-,8-/m0/s1",InChIKey:"HGHOBRRUMWJWCU-FXQIFTODSA-N","Log P":-5.5,"Exact Mass":390.1386783,"Molecular Formula":"C14H22N4O9","Molecular Weight":390.35,"Monoisotopic Mass":390.1386783,Charge:0,"Easy Name":"Epithalon","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C14H22N4O9"},219061:{PUBCHEM:{CID:"219061","Compound Complexity":2,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;fluoride;hydrofluoride","IUPAC Name CAS-like Style":"Sodium;fluoride;hydrofluoride","IUPAC Name Markup":"Sodium;fluoride;hydrofluoride","IUPAC Name Preferred":"Sodium;fluoride;hydrofluoride","IUPAC Name Systematic":"Sodium;fluoride;hydrofluoride","IUPAC Name Traditional":"Sodium;fluoride;hydrofluoride",InChI:"1S/2FH.Na/h2*1H;/q;;+1/p-1",InChIKey:"BFXAWOHHDUIALU-UHFFFAOYSA-M","Exact Mass":61.99440064,"Molecular Formula":"F2HNa","Molecular Weight":61.9946,"Monoisotopic Mass":61.99440064,Charge:0,"Easy Name":"Sodium Bifluoride","Easy Category":"Acid salt"},HSDB:{"Color And Form":{Value:"COLORLESS, OR WHITE CRYSTALLINE POWDER, RHOMBOHEDRAL"},Density:{Value:"2.08"},Solubility:{Value:"SOL IN COLD & HOT WATER"},Uses:{Value:"TIN PLATE PRODUCTION; NEUTRALIZER IN LAUNDRY RINSING OPERATIONS; PRESERVATIVE FOR ZOOLOGICAL & ANATOMICAL SPECIMENS; ETCHING GLASS; ANTISEPTIC."}},ReducedFormula:"F2H1Na1"},219463:{PUBCHEM:{CID:"219463","Compound Complexity":282,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name CAS-like Style":"(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Markup":"(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Preferred":"(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Systematic":"(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Traditional":"(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid",InChI:"1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10+/m0/s1",InChIKey:"LSPHULWDVZXLIL-QUBYGPBYSA-N","Log P":1.3,"Exact Mass":200.10485899,"Molecular Formula":"C10H16O4","Molecular Weight":200.23,"Monoisotopic Mass":200.10485899,Charge:0,"Easy Name":" (-)-Camphoric acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O4"},220338:{PUBCHEM:{CID:"220338","Compound Complexity":534,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(1R,4aR,4bS,7S,10aR)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid","IUPAC Name CAS-like Style":"(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid","IUPAC Name Markup":"(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid","IUPAC Name Preferred":"(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid","IUPAC Name Systematic":"(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid","IUPAC Name Traditional":"(1R,4aR,4bS,7S,10aR)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid",InChI:"1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1",InChIKey:"MHVJRKBZMUDEEV-APQLOABGSA-N","Log P":5.5,"Exact Mass":302.22458021,"Molecular Formula":"C20H30O2","Molecular Weight":302.5,"Monoisotopic Mass":302.22458021,Charge:0,"Easy Name":"Pimaric acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C20H30O2"},221493:{PUBCHEM:{CID:"221493","Compound Complexity":637,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",InChIKey:"BHQCQFFYRZLCQQ-OELDTZBJSA-N","Log P":3.6,"Exact Mass":408.28757439,"Molecular Formula":"C24H40O5","Molecular Weight":408.6,"Monoisotopic Mass":408.28757439,Charge:0,"Easy Name":"Cholic acid","Easy Category":"Bile acid"},HSDB:{"Color And Form":{Value:"Plates from dilute acetic acid"},"Melting Point":{Value:"198 °C (anhydrous)"},Solubility:{Value:"In water, 175 mg/L at 20 °C"},Taste:{Value:"Bitter with sweetish aftertaste"},Uses:{Value:"Biochemical research, pharmaceutical intermediate, emulsifying agent in foods (up to 0.1%)"},"Vapor Pressure":{Value:"9.66X10-15 mm Hg at 25 °C (est)"}},ReducedFormula:"C24H40O5"},222284:{PUBCHEM:{CID:"222284","Compound Complexity":634,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name CAS-like Style":"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Markup":"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Preferred":"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Systematic":"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Traditional":"(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",InChI:"1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",InChIKey:"KZJWDPNRJALLNS-VJSFXXLFSA-N","Log P":9.3,"Exact Mass":414.38616623,"Molecular Formula":"C29H50O","Molecular Weight":414.7,"Monoisotopic Mass":414.38616623,Charge:0,"Easy Name":"Beta-Sitosterol","Easy Category":"Steroid"},HSDB:{},ReducedFormula:"C29H50O1"},222465:{PUBCHEM:{CID:"222465","Compound Complexity":40.2,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Vinyl formate","IUPAC Name CAS-like Style":"Formic acid ethenyl ester","IUPAC Name Markup":"Ethenyl formate","IUPAC Name Preferred":"Ethenyl formate","IUPAC Name Systematic":"Ethenyl methanoate","IUPAC Name Traditional":"Formic acid vinyl ester",InChI:"1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2",InChIKey:"GFJVXXWOPWLRNU-UHFFFAOYSA-N","Log P":.6,"Exact Mass":72.021129368,"Molecular Formula":"C3H4O2","Molecular Weight":72.06,"Monoisotopic Mass":72.021129368,Charge:0,"Easy Name":"Vinyl formate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C3H4O2"},222528:{PUBCHEM:{CID:"222528","Compound Complexity":605,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1",InChIKey:"KXGVEGMKQFWNSR-LLQZFEROSA-N","Log P":4.9,"Exact Mass":392.29265977,"Molecular Formula":"C24H40O4","Molecular Weight":392.6,"Monoisotopic Mass":392.29265977,Charge:0,"Easy Name":"Deoxycholic acid","Easy Category":"Bile acid"},HSDB:{"Color And Form":{Value:"CRYSTALS FROM ALC"},"Melting Point":{Value:"176-178 °C"},Solubility:{Value:"@ 15 °C: 0.24 G/L IN WATER, 220.7 G/L IN ALC, IN ETHER: 1.16 G/L, IN CHLOROFORM: 2.94 G/L, IN BENZENE: 0.12 G/L, IN ACETONE: 10.46 G/L, IN GLACIAL ACETIC ACID: 9.06 G/L; SOL IN SOLN OF ALKALI HYDROXIDES OR CARBONATES"},Uses:{Value:"EMULSIFYING AGENT IN FOOD; PRECURSOR FOR ORG SYNTHESIS OF CORTISONE"}},ReducedFormula:"C24H40O4"},222656:{PUBCHEM:{CID:"222656","Compound Complexity":129,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-2-hydroxybutanedioic acid","IUPAC Name CAS-like Style":"(2S)-2-hydroxybutanedioic acid","IUPAC Name Markup":"(2S)-2-hydroxybutanedioic acid","IUPAC Name Preferred":"(2S)-2-hydroxybutanedioic acid","IUPAC Name Systematic":"(2S)-2-oxidanylbutanedioic acid","IUPAC Name Traditional":"(2S)-2-hydroxysuccinic acid",InChI:"1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",InChIKey:"BJEPYKJPYRNKOW-REOHCLBHSA-N","Log P":-1.3,"Exact Mass":134.02152329,"Molecular Formula":"C4H6O5","Molecular Weight":134.09,"Monoisotopic Mass":134.02152329,Charge:0,"Easy Name":"L-Malic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C4H6O5"},222657:{PUBCHEM:{CID:"222657","Compound Complexity":40.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"1,2-dibromo-2-methyl-propane","IUPAC Name CAS-like Style":"1,2-dibromo-2-methylpropane","IUPAC Name Markup":"1,2-dibromo-2-methylpropane","IUPAC Name Preferred":"1,2-dibromo-2-methylpropane","IUPAC Name Systematic":"1,2-bis(bromanyl)-2-methyl-propane","IUPAC Name Traditional":"1,2-dibromo-2-methyl-propane",InChI:"1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3",InChIKey:"SDTXSEXYPROZSZ-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":215.89723,"Molecular Formula":"C4H8Br2","Molecular Weight":215.91,"Monoisotopic Mass":213.89928,Charge:0,"Easy Name":"1, 2-Dibromo-2-methyl-propane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C4H8"},224478:{PUBCHEM:{CID:"224478","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;fluoride","IUPAC Name CAS-like Style":"Lithium;fluoride","IUPAC Name Markup":"Lithium;fluoride","IUPAC Name Preferred":"Lithium;fluoride","IUPAC Name Systematic":"Lithium;fluoride","IUPAC Name Traditional":"Lithium;fluoride",InChI:"1S/FH.Li/h1H;/q;+1/p-1",InChIKey:"PQXKHYXIUOZZFA-UHFFFAOYSA-M","Exact Mass":26.0144066,"Molecular Formula":"FLi","Molecular Weight":26,"Monoisotopic Mass":26.0144066,Charge:0,"Easy Name":"Lithium fluoride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1673 °C"},"Color And Form":{Value:"Cubic crystals (NaCl lattice) or white fluffy powder"},Density:{Value:"2.640 g/cu cm"},"Melting Point":{Value:"848.2 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.3915"},Solubility:{Value:"0.134 g/100 g water at 25 °C; soluble in acid"},Uses:{Value:"Large, pure crystals of lithium fluoride are employed in optical systems for ultraviolet, visible, or infrared light and in X-ray monochromators."},"Vapor Pressure":{Value:"1 mm Hg at 1047 °C"}},ReducedFormula:"F1Li1"},226291:{PUBCHEM:{CID:"226291","Compound Complexity":158,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2-dibromonaphthalene","IUPAC Name CAS-like Style":"1,2-dibromonaphthalene","IUPAC Name Markup":"1,2-dibromonaphthalene","IUPAC Name Preferred":"1,2-dibromonaphthalene","IUPAC Name Systematic":"1,2-bis(bromanyl)naphthalene","IUPAC Name Traditional":"1,2-dibromonaphthalene",InChI:"1S/C10H6Br2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H",InChIKey:"QGZAUMUFTXCDBD-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":285.88158,"Molecular Formula":"C10H6Br2","Molecular Weight":285.96,"Monoisotopic Mass":283.88363,Charge:0,"Easy Name":"1, 2-dibromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br2C10H6"},231756:{PUBCHEM:{CID:"231756","Compound Complexity":155,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"3-hydroxy-5-methyl-benzoic acid","IUPAC Name CAS-like Style":"3-hydroxy-5-methylbenzoic acid","IUPAC Name Markup":"3-hydroxy-5-methylbenzoic acid","IUPAC Name Preferred":"3-hydroxy-5-methylbenzoic acid","IUPAC Name Systematic":"3-methyl-5-oxidanyl-benzoic acid","IUPAC Name Traditional":"3-hydroxy-5-methyl-benzoic acid",InChI:"1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)",InChIKey:"CFXOUQXGRQXUSE-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":152.047344117,"Molecular Formula":"C8H8O3","Molecular Weight":152.15,"Monoisotopic Mass":152.047344117,Charge:0,"Easy Name":"3-hydroxy-5-methylbenzoic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C8H8O3"},232555:{PUBCHEM:{CID:"232555","Compound Complexity":334,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":17,"IUPAC Name Allowed":"Docos-13-ynoic acid","IUPAC Name CAS-like Style":"13-docosynoic acid","IUPAC Name Markup":"Docos-13-ynoic acid","IUPAC Name Preferred":"Docos-13-ynoic acid","IUPAC Name Systematic":"Docos-13-ynoic acid","IUPAC Name Traditional":"Docos-13-ynoic acid",InChI:"1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-8,11-21H2,1H3,(H,23,24)",InChIKey:"VUXNZDYAHSFXBM-UHFFFAOYSA-N","Log P":8.4,"Exact Mass":336.30283053,"Molecular Formula":"C22H40O2","Molecular Weight":336.6,"Monoisotopic Mass":336.30283053,Charge:0,"Easy Name":"Behenolic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C22H40O2"},234817:{PUBCHEM:{CID:"234817","Compound Complexity":431,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"4-[6-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol","IUPAC Name CAS-like Style":"4-[6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol","IUPAC Name Markup":"4-[6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol","IUPAC Name Preferred":"4-[6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol","IUPAC Name Systematic":"2-methoxy-4-[6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenol","IUPAC Name Traditional":"4-[6-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol",InChI:"1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3",InChIKey:"HGXBRUKMWQGOIE-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":358.14163843,"Molecular Formula":"C20H22O6","Molecular Weight":358.4,"Monoisotopic Mass":358.14163843,Charge:0,"Easy Name":"Pinoresinol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H22O6"},235188:{PUBCHEM:{CID:"235188","Compound Complexity":155,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"5-hydroxy-2-methyl-benzoic acid","IUPAC Name CAS-like Style":"5-hydroxy-2-methylbenzoic acid","IUPAC Name Markup":"5-hydroxy-2-methylbenzoic acid","IUPAC Name Preferred":"5-hydroxy-2-methylbenzoic acid","IUPAC Name Systematic":"2-methyl-5-oxidanyl-benzoic acid","IUPAC Name Traditional":"5-hydroxy-2-methyl-benzoic acid",InChI:"1S/C8H8O3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)",InChIKey:"ZIOYQUNKXJQXQY-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":152.047344117,"Molecular Formula":"C8H8O3","Molecular Weight":152.15,"Monoisotopic Mass":152.047344117,Charge:0,"Easy Name":"5-Hydroxy-2-methylbenzoic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C8H8O3"},235321:{PUBCHEM:{CID:"235321","Compound Complexity":545,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol","IUPAC Name CAS-like Style":"3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol","IUPAC Name Markup":"3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol","IUPAC Name Preferred":"3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol","IUPAC Name Systematic":"3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol","IUPAC Name Traditional":"3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol",InChI:"1S/C22H26O7/c1-24-16-7-5-13(9-18(16)26-3)20-15-11-28-21(22(15,23)12-29-20)14-6-8-17(25-2)19(10-14)27-4/h5-10,15,20-21,23H,11-12H2,1-4H3",InChIKey:"MEIWPHMJWJAVIY-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":402.16785318,"Molecular Formula":"C22H26O7","Molecular Weight":402.4,"Monoisotopic Mass":402.16785318,Charge:0,"Easy Name":"Gmelinol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C22H26O7"},235711:{PUBCHEM:{CID:"235711","Compound Complexity":282,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"Octadec-6-ynoic acid","IUPAC Name CAS-like Style":"6-octadecynoic acid","IUPAC Name Markup":"Octadec-6-ynoic acid","IUPAC Name Preferred":"Octadec-6-ynoic acid","IUPAC Name Systematic":"Octadec-6-ynoic acid","IUPAC Name Traditional":"Octadec-6-ynoic acid",InChI:"1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-11,14-17H2,1H3,(H,19,20)",InChIKey:"GVZXZHWIIXHZOB-UHFFFAOYSA-N","Log P":7,"Exact Mass":280.24023027,"Molecular Formula":"C18H32O2","Molecular Weight":280.4,"Monoisotopic Mass":280.24023027,Charge:0,"Easy Name":"Tariric acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H32O2"},237332:{PUBCHEM:{CID:"237332","Compound Complexity":103,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"5-(hydroxymethyl)furan-2-carbaldehyde","IUPAC Name CAS-like Style":"5-(hydroxymethyl)-2-furancarboxaldehyde","IUPAC Name Markup":"5-(hydroxymethyl)furan-2-carbaldehyde","IUPAC Name Preferred":"5-(hydroxymethyl)furan-2-carbaldehyde","IUPAC Name Systematic":"5-(hydroxymethyl)furan-2-carbaldehyde","IUPAC Name Traditional":"5-methylolfurfural",InChI:"1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",InChIKey:"NOEGNKMFWQHSLB-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":126.031694052,"Molecular Formula":"C6H6O3","Molecular Weight":126.11,"Monoisotopic Mass":126.031694052,Charge:0,"Easy Name":"Hydroxymethylfurfural","Easy Category":"Aldehyde"},HSDB:{"Color And Form":{Value:"Crystalline solid (needles)"},Density:{Value:"1.2062 g/cu cm at 25 °C"},"Melting Point":{Value:"31.5 °C"},Odor:{Value:"Odor of chamomile flowers"},"Refractive Index":{Value:"Index of refraction: 1.5627 at 18 °C"},Solubility:{Value:"Freely soluble in methanol, ethanol, acetone, ethyl acetate, dimethylformamide. Soluble in ether, benzene, chloroform. Less soluble in carbon tetrachloride. Sparingly soluble in petroleum ether."},Taste:{Value:"Butter, caramel, musty"},"Vapor Pressure":{Value:"5.28X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"C6H6O3"},237873:{PUBCHEM:{CID:"237873","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;sulfanide","IUPAC Name CAS-like Style":"Disodium;sulfanide","IUPAC Name Markup":"Disodium;sulfanide","IUPAC Name Preferred":"Disodium;sulfanide","IUPAC Name Systematic":"Disodium;sulfanide","IUPAC Name Traditional":"Disodium;bisulfide",InChI:"1S/2Na.H2S/h;;1H2/q2*+1;/p-1",InChIKey:"VDQVEACBQKUUSU-UHFFFAOYSA-M","Exact Mass":78.95943477,"Molecular Formula":"HNa2S+","Molecular Weight":79.06,"Monoisotopic Mass":78.95943477,Charge:1,"Easy Name":"Sodium sulfide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"CLEAR CRYSTALS; YELLOW OR BRICK-RED LUMPS OR FLAKES"},Density:{Value:"1.856 @ 14 °C/4 °C"},"Melting Point":{Value:"1180 °C (IN VACUO)"},"NFPA Hazard Classification":{Value:"3-1-1"},Odor:{Value:"Rotten eggs"},pH:{Value:"AQ SOLN ARE STRONGLY ALKALINE"},Solubility:{Value:"Slightly soluble in alcohol; insoluble in ether."},Uses:{Value:"In prodn of heavy water for nuclear reactors"}},ReducedFormula:"+1H1Na2S1"},238129:{PUBCHEM:{CID:"238129","Compound Complexity":167,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1S,3R)-cyclopentane-1,3-dicarboxylic acid","IUPAC Name CAS-like Style":"(1S,3R)-cyclopentane-1,3-dicarboxylic acid","IUPAC Name Markup":"(1S,3R)-cyclopentane-1,3-dicarboxylic acid","IUPAC Name Preferred":"(1S,3R)-cyclopentane-1,3-dicarboxylic acid","IUPAC Name Systematic":"(1S,3R)-cyclopentane-1,3-dicarboxylic acid","IUPAC Name Traditional":"(1S,3R)-cyclopentane-1,3-dicarboxylic acid",InChI:"1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+",InChIKey:"LNGJOYPCXLOTKL-SYDPRGILSA-N","Log P":.1,"Exact Mass":158.0579088,"Molecular Formula":"C7H10O4","Molecular Weight":158.15,"Monoisotopic Mass":158.0579088,Charge:0,"Easy Name":"Norcamphoric acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H10O4"},245005:{PUBCHEM:{CID:"245005","Compound Complexity":1210,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":3,"Rotatable Bond":11,"IUPAC Name Allowed":"[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetoxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate","IUPAC Name CAS-like Style":"Benzoic acid [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] ester","IUPAC Name Markup":"[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate","IUPAC Name Preferred":"[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate","IUPAC Name Systematic":"[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-5,7,14-tris(oxidanyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate","IUPAC Name Traditional":"Benzoic acid [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetoxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] ester",InChI:"1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",InChIKey:"XFSBVAOIAHNAPC-XTHSEXKGSA-N","Log P":.3,"Exact Mass":645.31491134,"Molecular Formula":"C34H47NO11","Molecular Weight":645.7,"Monoisotopic Mass":645.31491134,Charge:0,"Easy Name":"Aconitine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C34H47N1O11"},246983:{PUBCHEM:{CID:"246983","Compound Complexity":767,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name CAS-like Style":"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Markup":"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Preferred":"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Systematic":"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Traditional":"(3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",InChI:"1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",InChIKey:"CAHGCLMLTWQZNJ-BQNIITSRSA-N","Log P":8.9,"Exact Mass":426.38616623,"Molecular Formula":"C30H50O","Molecular Weight":426.7,"Monoisotopic Mass":426.38616623,Charge:0,"Easy Name":"Lanosterol","Easy Category":"Steroid"},HSDB:{},ReducedFormula:"C30H50O1"},247704:{PUBCHEM:{CID:"247704","Compound Complexity":154,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol","IUPAC Name CAS-like Style":"4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol","IUPAC Name Markup":"4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol","IUPAC Name Preferred":"4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol","IUPAC Name Systematic":"4-[(1S)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol","IUPAC Name Traditional":"4-[(1S)-1-hydroxy-2-(methylamino)ethyl]pyrocatechol",InChI:"1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m1/s1",InChIKey:"UCTWMZQNUQWSLP-SECBINFHSA-N","Log P":-1.4,"Exact Mass":183.08954328,"Molecular Formula":"C9H13NO3","Molecular Weight":183.2,"Monoisotopic Mass":183.08954328,Charge:0,"Easy Name":" (+)-Epinephrine","Easy Category":"Catecholamine"},HSDB:{},ReducedFormula:"C9H13N1O3"},252023:{PUBCHEM:{CID:"252023","Compound Complexity":155,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"3-hydroxy-2-methyl-benzoic acid","IUPAC Name CAS-like Style":"3-hydroxy-2-methylbenzoic acid","IUPAC Name Markup":"3-hydroxy-2-methylbenzoic acid","IUPAC Name Preferred":"3-hydroxy-2-methylbenzoic acid","IUPAC Name Systematic":"2-methyl-3-oxidanyl-benzoic acid","IUPAC Name Traditional":"3-hydroxy-2-methyl-benzoic acid",InChI:"1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)",InChIKey:"RIERSGULWXEJKL-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":152.047344117,"Molecular Formula":"C8H8O3","Molecular Weight":152.15,"Monoisotopic Mass":152.047344117,Charge:0,"Easy Name":"3-Hydroxy-2-methylbenzoic Acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C8H8O3"},252321:{PUBCHEM:{CID:"252321","Compound Complexity":33.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(1S,2R)-1,2-dimethylcyclopropane","IUPAC Name CAS-like Style":"(1S,2R)-1,2-dimethylcyclopropane","IUPAC Name Markup":"(1S,2R)-1,2-dimethylcyclopropane","IUPAC Name Preferred":"(1S,2R)-1,2-dimethylcyclopropane","IUPAC Name Systematic":"(1S,2R)-1,2-dimethylcyclopropane","IUPAC Name Traditional":"(1S,2R)-1,2-dimethylcyclopropane",InChI:"1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+",InChIKey:"VKJLDXGFBJBTRQ-SYDPRGILSA-N","Log P":2.1,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"Cis-1, 2-Dimethylcyclopropane","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C5H10"},253877:{PUBCHEM:{CID:"253877","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;bromide","IUPAC Name CAS-like Style":"Potassium;bromide","IUPAC Name Markup":"Potassium;bromide","IUPAC Name Preferred":"Potassium;bromide","IUPAC Name Systematic":"Potassium;bromide","IUPAC Name Traditional":"Potassium;bromide",InChI:"1S/BrH.K/h1H;/q;+1/p-1",InChIKey:"IOLCXVTUBQKXJR-UHFFFAOYSA-M","Exact Mass":117.88204,"Molecular Formula":"BrK","Molecular Weight":119,"Monoisotopic Mass":117.88204,Charge:0,"Easy Name":"Potassium bromide","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1435 °C"},"Color And Form":{Value:"Colorless crystals or white granules or powder"},"Critical Temperature And Pressure":{Value:"Critical temperature = 3520.00 K; critical pressure = 1.1552X10+7 Pa"},Density:{Value:"2.74 g/cu cm at 25 °C"},"Melting Point":{Value:"730 °C"},Odor:{Value:"Odorless"},pH:{Value:"The aqueous solution is neutral."},"Refractive Index":{Value:"Index of refraction = 1.559"},Solubility:{Value:"In water, 67.8 g/100 g at 25 °C"},Taste:{Value:"Pungent, strong, bitter, saline"},Uses:{Value:"MEDICATION"}},ReducedFormula:"Br1K1"},253881:{PUBCHEM:{CID:"253881","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;bromide","IUPAC Name CAS-like Style":"Sodium;bromide","IUPAC Name Markup":"Sodium;bromide","IUPAC Name Preferred":"Sodium;bromide","IUPAC Name Systematic":"Sodium;bromide","IUPAC Name Traditional":"Sodium;bromide",InChI:"1S/BrH.Na/h1H;/q;+1/p-1",InChIKey:"JHJLBTNAGRQEKS-UHFFFAOYSA-M","Exact Mass":101.90811,"Molecular Formula":"BrNa","Molecular Weight":102.89,"Monoisotopic Mass":101.90811,Charge:0,"Easy Name":"Sodium bromide","Easy Category":"Pharmaceutical drug"},HSDB:{"Boiling Point":{Value:"1390 °C"},"Color And Form":{Value:"White crystals, granules, or powder"},Density:{Value:"3.21"},"Melting Point":{Value:"755 °C"},pH:{Value:"pH = 6.5-8.0"},"Refractive Index":{Value:"Index of refraction: 1.6412"},Solubility:{Value:"Moderately soluble in alcohol"},Taste:{Value:"Saline, feebly bitter taste"},Uses:{Value:"For sodium bromide (USEPA/OPP Pesticide Code: 013907) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Br1Na1"},255338:{PUBCHEM:{CID:"255338","Compound Complexity":154,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-cyano-3-methyl-butanoic acid","IUPAC Name CAS-like Style":"2-cyano-3-methylbutanoic acid","IUPAC Name Markup":"2-cyano-3-methylbutanoic acid","IUPAC Name Preferred":"2-cyano-3-methylbutanoic acid","IUPAC Name Systematic":"2-cyano-3-methyl-butanoic acid","IUPAC Name Traditional":"2-cyano-3-methyl-butyric acid",InChI:"1S/C6H9NO2/c1-4(2)5(3-7)6(8)9/h4-5H,1-2H3,(H,8,9)",InChIKey:"HAGRVRKSGQTFKQ-UHFFFAOYSA-N","Log P":1,"Exact Mass":127.063328534,"Molecular Formula":"C6H9NO2","Molecular Weight":127.14,"Monoisotopic Mass":127.063328534,Charge:0,"Easy Name":"2-Cyano-3-methylbutyric acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H9N1O2"},260420:{PUBCHEM:{CID:"260420","Compound Complexity":285,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Dichloro(triphenyl)-lambda5-phosphane","IUPAC Name CAS-like Style":"Dichloro(triphenyl)phosphorane","IUPAC Name Markup":"Dichloro(triphenyl)-λ5-phosphane","IUPAC Name Preferred":"Dichloro(triphenyl)-lambda5-phosphane","IUPAC Name Systematic":"Bis(chloranyl)-triphenyl-lambda5-phosphane","IUPAC Name Traditional":"Dichloro(triphenyl)phosphorane",InChI:"1S/C18H15Cl2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",InChIKey:"ASWXNYNXAOQCCD-UHFFFAOYSA-N","Log P":6.2,"Exact Mass":332.0288429,"Molecular Formula":"C18H15Cl2P","Molecular Weight":333.2,"Monoisotopic Mass":332.0288429,Charge:0,"Easy Name":"Triphenylphosphine dichloride","Easy Category":"Organophosphorus"},HSDB:{},ReducedFormula:"C18Cl2H15P1"},261491:{PUBCHEM:{CID:"261491","Compound Complexity":207,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(1S,4R,5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one","IUPAC Name CAS-like Style":"(1S,4R,5R)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanone","IUPAC Name Markup":"(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one","IUPAC Name Preferred":"(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one","IUPAC Name Systematic":"(1S,4R,5R)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one","IUPAC Name Traditional":"(1S,4R,5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one",InChI:"1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1",InChIKey:"USMNOWBWPHYOEA-MRTMQBJTSA-N","Log P":2.3,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":" (-)-α-Thujone","Easy Category":"Ketone"},HSDB:{"Boiling Point":{Value:"203 °C"},"Color And Form":{Value:"Colorless or almost colorless liquid"},Density:{Value:"Specific gravity: 0.915-0.919 at 20 °C/20 °C"},Solubility:{Value:"In water, 407 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"0.449 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H16O1"},263086:{PUBCHEM:{CID:"263086","Compound Complexity":110,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"3-cyanopropanoic acid","IUPAC Name CAS-like Style":"3-cyanopropanoic acid","IUPAC Name Markup":"3-cyanopropanoic acid","IUPAC Name Preferred":"3-cyanopropanoic acid","IUPAC Name Systematic":"3-cyanopropanoic acid","IUPAC Name Traditional":"3-cyanopropionic acid",InChI:"1S/C4H5NO2/c5-3-1-2-4(6)7/h1-2H2,(H,6,7)",InChIKey:"BXYQHDXDCJQOFD-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":99.032028405,"Molecular Formula":"C4H5NO2","Molecular Weight":99.09,"Monoisotopic Mass":99.032028405,Charge:0,"Easy Name":"3-Cyanopropanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C4H5N1O2"},263764:{PUBCHEM:{CID:"263764","Compound Complexity":197,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"3,3-dimethylcyclopropane-1,2-dicarboxylic acid","IUPAC Name CAS-like Style":"3,3-dimethylcyclopropane-1,2-dicarboxylic acid","IUPAC Name Markup":"3,3-dimethylcyclopropane-1,2-dicarboxylic acid","IUPAC Name Preferred":"3,3-dimethylcyclopropane-1,2-dicarboxylic acid","IUPAC Name Systematic":"3,3-dimethylcyclopropane-1,2-dicarboxylic acid","IUPAC Name Traditional":"3,3-dimethylcyclopropane-1,2-dicarboxylic acid",InChI:"1S/C7H10O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)",InChIKey:"MSPJNHHBNOLHOC-UHFFFAOYSA-N","Log P":.3,"Exact Mass":158.0579088,"Molecular Formula":"C7H10O4","Molecular Weight":158.15,"Monoisotopic Mass":158.0579088,Charge:0,"Easy Name":"Caronic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H10O4"},266036:{PUBCHEM:{CID:"266036","Compound Complexity":381,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"3,4-diphenylcyclobutane-1,2-dicarboxylic acid","IUPAC Name CAS-like Style":"3,4-diphenylcyclobutane-1,2-dicarboxylic acid","IUPAC Name Markup":"3,4-diphenylcyclobutane-1,2-dicarboxylic acid","IUPAC Name Preferred":"3,4-diphenylcyclobutane-1,2-dicarboxylic acid","IUPAC Name Systematic":"3,4-diphenylcyclobutane-1,2-dicarboxylic acid","IUPAC Name Traditional":"3,4-diphenylcyclobutane-1,2-dicarboxylic acid",InChI:"1S/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)14(16(15)18(21)22)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)",InChIKey:"QVNDSQQNODQYJM-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":296.10485899,"Molecular Formula":"C18H16O4","Molecular Weight":296.3,"Monoisotopic Mass":296.10485899,Charge:0,"Easy Name":"Β-Truxinic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C18H16O4"},267529:{PUBCHEM:{CID:"267529","Compound Complexity":84.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"3,4-dibromobutanoic acid","IUPAC Name CAS-like Style":"3,4-dibromobutanoic acid","IUPAC Name Markup":"3,4-dibromobutanoic acid","IUPAC Name Preferred":"3,4-dibromobutanoic acid","IUPAC Name Systematic":"3,4-bis(bromanyl)butanoic acid","IUPAC Name Traditional":"3,4-dibromobutyric acid",InChI:"1S/C4H6Br2O2/c5-2-3(6)1-4(7)8/h3H,1-2H2,(H,7,8)",InChIKey:"BETGACHBPWABRB-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":245.87141,"Molecular Formula":"C4H6Br2O2","Molecular Weight":245.9,"Monoisotopic Mass":243.87345,Charge:0,"Easy Name":"3, 4-dibromobutanoic acid","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C4H6O2"},272714:{PUBCHEM:{CID:"272714","Compound Complexity":98.4,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Methyl 2-amino-2-oxo-acetate","IUPAC Name CAS-like Style":"2-amino-2-oxoacetic acid methyl ester","IUPAC Name Markup":"Methyl 2-amino-2-oxoacetate","IUPAC Name Preferred":"Methyl 2-amino-2-oxoacetate","IUPAC Name Systematic":"Methyl 2-azanyl-2-oxidanylidene-ethanoate","IUPAC Name Traditional":"2-amino-2-keto-acetic acid methyl ester",InChI:"1S/C3H5NO3/c1-7-3(6)2(4)5/h1H3,(H2,4,5)",InChIKey:"AEVHVVDLIHWAGR-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":103.026943024,"Molecular Formula":"C3H5NO3","Molecular Weight":103.08,"Monoisotopic Mass":103.026943024,Charge:0,"Easy Name":"Methyl amino (oxo)acetate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C3H5N1O3"},278492:{PUBCHEM:{CID:"278492","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibromonickel","IUPAC Name CAS-like Style":"Dibromonickel","IUPAC Name Markup":"Dibromonickel","IUPAC Name Preferred":"Dibromonickel","IUPAC Name Systematic":"Bis(bromanyl)nickel","IUPAC Name Traditional":"Dibromonickel",InChI:"1S/2BrH.Ni/h2*1H;/q;;+2/p-2",InChIKey:"IPLJNQFXJUCRNH-UHFFFAOYSA-L","Exact Mass":217.76997,"Molecular Formula":"Br2Ni","Molecular Weight":218.5,"Monoisotopic Mass":215.77202,Charge:0,"Easy Name":"Nickel (II) bromide","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"Br2Ni1"},284068:{PUBCHEM:{CID:"284068","Compound Complexity":299,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Phenanthrene-1-carboxylic acid","IUPAC Name CAS-like Style":"1-phenanthrenecarboxylic acid","IUPAC Name Markup":"Phenanthrene-1-carboxylic acid","IUPAC Name Preferred":"Phenanthrene-1-carboxylic acid","IUPAC Name Systematic":"Phenanthrene-1-carboxylic acid","IUPAC Name Traditional":"Phenanthrene-1-carboxylic acid",InChI:"1S/C15H10O2/c16-15(17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H,(H,16,17)",InChIKey:"KFDKNTQGTAEZGC-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":222.068079562,"Molecular Formula":"C15H10O2","Molecular Weight":222.24,"Monoisotopic Mass":222.068079562,Charge:0,"Easy Name":"1-Phenanthrenecarboxylic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C15H10O2"},290988:{PUBCHEM:{CID:"290988","Compound Complexity":249,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"4,5-dimethoxyphthalic acid","IUPAC Name CAS-like Style":"4,5-dimethoxyphthalic acid","IUPAC Name Markup":"4,5-dimethoxyphthalic acid","IUPAC Name Preferred":"4,5-dimethoxyphthalic acid","IUPAC Name Systematic":"4,5-dimethoxyphthalic acid","IUPAC Name Traditional":"4,5-dimethoxyphthalic acid",InChI:"1S/C10H10O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)",InChIKey:"SKBDLRWFSRLIPP-UHFFFAOYSA-N","Log P":.9,"Exact Mass":226.04773804,"Molecular Formula":"C10H10O6","Molecular Weight":226.18,"Monoisotopic Mass":226.04773804,Charge:0,"Easy Name":"Metahemipic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H10O6"},291296:{PUBCHEM:{CID:"291296","Compound Complexity":728,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"13,14-dimethyl-2,6,8,20,22-pentaoxahexacyclo[10.10.1.01,19.03,11.05,9.016,23]tricosa-3,5(9),10,15,18-pentaen-17-one","IUPAC Name CAS-like Style":"13,14-dimethyl-2,6,8,20,22-pentaoxahexacyclo[10.10.1.01,19.03,11.05,9.016,23]tricosa-3,5(9),10,15,18-pentaen-17-one","IUPAC Name Markup":"13,14-dimethyl-2,6,8,20,22-pentaoxahexacyclo[10.10.1.01,19.03,11.05,9.016,23]tricosa-3,5(9),10,15,18-pentaen-17-one","IUPAC Name Preferred":"13,14-dimethyl-2,6,8,20,22-pentaoxahexacyclo[10.10.1.01,19.03,11.05,9.016,23]tricosa-3,5(9),10,15,18-pentaen-17-one","IUPAC Name Systematic":"13,14-dimethyl-2,6,8,20,22-pentaoxahexacyclo[10.10.1.01,19.03,11.05,9.016,23]tricosa-3,5(9),10,15,18-pentaen-17-one","IUPAC Name Traditional":"13,14-dimethyl-2,6,8,20,22-pentaoxahexacyclo[10.10.1.01,19.03,11.05,9.016,23]tricosa-3,5(9),10,15,18-pentaen-17-one",InChI:"1S/C20H18O6/c1-9-3-11-13(21)5-17-20(25-8-24-17)19(11)18(10(9)2)12-4-15-16(23-7-22-15)6-14(12)26-20/h3-6,9-10,18-19H,7-8H2,1-2H3",InChIKey:"WTXORUUTAZJKSN-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":354.1103383,"Molecular Formula":"C20H18O6","Molecular Weight":354.4,"Monoisotopic Mass":354.1103383,Charge:0,"Easy Name":"Carpanone","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H18O6"},292779:{PUBCHEM:{CID:"292779","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxohafnium","IUPAC Name CAS-like Style":"Dioxohafnium","IUPAC Name Markup":"Dioxohafnium","IUPAC Name Preferred":"Dioxohafnium","IUPAC Name Systematic":"Bis(oxidanylidene)hafnium","IUPAC Name Traditional":"Diketohafnium",InChI:"1S/Hf.2O",InChIKey:"CJNBYAVZURUTKZ-UHFFFAOYSA-N","Exact Mass":211.93639,"Molecular Formula":"HfO2","Molecular Weight":210.5,"Monoisotopic Mass":211.93639,Charge:0,"Easy Name":"Hafnium (IV) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Hf1O2"},297888:{PUBCHEM:{CID:"297888","Compound Complexity":293,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"7,7-dimethyl-2-oxo-norbornane-1-carboxylic acid","IUPAC Name CAS-like Style":"7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanecarboxylic acid","IUPAC Name Markup":"7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","IUPAC Name Preferred":"7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","IUPAC Name Systematic":"7,7-dimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-1-carboxylic acid","IUPAC Name Traditional":"2-keto-7,7-dimethyl-norbornane-1-carboxylic acid",InChI:"1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)",InChIKey:"WDODWBQJVMBHCO-UHFFFAOYSA-N","Log P":2,"Exact Mass":182.09429431,"Molecular Formula":"C10H14O3","Molecular Weight":182.22,"Monoisotopic Mass":182.09429431,Charge:0,"Easy Name":"Ketopinic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H14O3"},314208:{PUBCHEM:{CID:"314208","Compound Complexity":225,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"4,6-dimethylbenzene-1,3-dicarboxylic acid","IUPAC Name CAS-like Style":"4,6-dimethylbenzene-1,3-dicarboxylic acid","IUPAC Name Markup":"4,6-dimethylbenzene-1,3-dicarboxylic acid","IUPAC Name Preferred":"4,6-dimethylbenzene-1,3-dicarboxylic acid","IUPAC Name Systematic":"4,6-dimethylbenzene-1,3-dicarboxylic acid","IUPAC Name Traditional":"4,6-dimethylisophthalic acid",InChI:"1S/C10H10O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)",InChIKey:"HAYIPGIFANTODX-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":194.0579088,"Molecular Formula":"C10H10O4","Molecular Weight":194.18,"Monoisotopic Mass":194.0579088,Charge:0,"Easy Name":"R-Cumidic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C10H10O4"},316193:{PUBCHEM:{CID:"316193","Compound Complexity":224,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3,3-trimethylcyclopentene-1-carboxylic acid","IUPAC Name CAS-like Style":"2,3,3-trimethyl-1-cyclopentenecarboxylic acid","IUPAC Name Markup":"2,3,3-trimethylcyclopentene-1-carboxylic acid","IUPAC Name Preferred":"2,3,3-trimethylcyclopentene-1-carboxylic acid","IUPAC Name Systematic":"2,3,3-trimethylcyclopentene-1-carboxylic acid","IUPAC Name Traditional":"2,3,3-trimethylcyclopentene-1-carboxylic acid",InChI:"1S/C9H14O2/c1-6-7(8(10)11)4-5-9(6,2)3/h4-5H2,1-3H3,(H,10,11)",InChIKey:"CVPXQMUHAZMTEO-UHFFFAOYSA-N","Log P":2,"Exact Mass":154.09937969,"Molecular Formula":"C9H14O2","Molecular Weight":154.21,"Monoisotopic Mass":154.09937969,Charge:0,"Easy Name":"Isolauronolic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C9H14O2"},329668:{PUBCHEM:{CID:"329668","Compound Complexity":305,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"13-cyclopent-2-en-1-yltridec-6-enoic acid","IUPAC Name CAS-like Style":"13-(1-cyclopent-2-enyl)-6-tridecenoic acid","IUPAC Name Markup":"13-cyclopent-2-en-1-yltridec-6-enoic acid","IUPAC Name Preferred":"13-cyclopent-2-en-1-yltridec-6-enoic acid","IUPAC Name Systematic":"13-cyclopent-2-en-1-yltridec-6-enoic acid","IUPAC Name Traditional":"13-cyclopent-2-en-1-yltridec-6-enoic acid",InChI:"1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)",InChIKey:"XADKGDBMULSEAC-UHFFFAOYSA-N","Log P":6.1,"Exact Mass":278.22458021,"Molecular Formula":"C18H30O2","Molecular Weight":278.4,"Monoisotopic Mass":278.22458021,Charge:0,"Easy Name":"13-cyclopent-2-en-1-yltridec-6-enoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H30O2"},332427:{PUBCHEM:{CID:"332427","Compound Complexity":433,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":6,"IUPAC Name Allowed":"4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]methyl]-2-methoxy-phenol","IUPAC Name CAS-like Style":"4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-3-oxolanyl]methyl]-2-methoxyphenol","IUPAC Name Markup":"4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol","IUPAC Name Preferred":"4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol","IUPAC Name Systematic":"4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol","IUPAC Name Traditional":"4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-4-methylol-tetrahydrofuran-3-yl]methyl]-2-methoxy-phenol",InChI:"1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",InChIKey:"MHXCIKYXNYCMHY-AUSJPIAWSA-N","Log P":2.4,"Exact Mass":360.15728849,"Molecular Formula":"C20H24O6","Molecular Weight":360.4,"Monoisotopic Mass":360.15728849,Charge:0,"Easy Name":"Lariciresinol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H24O6"},336327:{PUBCHEM:{CID:"336327","Compound Complexity":360,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol","IUPAC Name CAS-like Style":"(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3-ol","IUPAC Name Markup":"(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol","IUPAC Name Preferred":"(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol","IUPAC Name Systematic":"(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol","IUPAC Name Traditional":"(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol",InChI:"1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1",InChIKey:"NSRJSISNDPOJOP-BBRMVZONSA-N","Log P":2.6,"Exact Mass":270.08920893,"Molecular Formula":"C16H14O4","Molecular Weight":270.28,"Monoisotopic Mass":270.08920893,Charge:0,"Easy Name":"Medicarpin","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C16H14O4"},344381:{PUBCHEM:{CID:"344381","Compound Complexity":200,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"1H-quinazolin-2-one","IUPAC Name CAS-like Style":"1H-quinazolin-2-one","IUPAC Name Markup":"1H-quinazolin-2-one","IUPAC Name Preferred":"1H-quinazolin-2-one","IUPAC Name Systematic":"1H-quinazolin-2-one","IUPAC Name Traditional":"1H-quinazolin-2-one",InChI:"1S/C8H6N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10,11)",InChIKey:"AVRPFRMDMNDIDH-UHFFFAOYSA-N","Log P":.7,"Exact Mass":146.048012822,"Molecular Formula":"C8H6N2O","Molecular Weight":146.15,"Monoisotopic Mass":146.048012822,Charge:0,"Easy Name":"2-Quinazolinone","Easy Category":"Quinazolinones"},HSDB:{},ReducedFormula:"C8H6N2O1"},345198:{PUBCHEM:{CID:"345198","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxoplatinum","IUPAC Name CAS-like Style":"Dioxoplatinum","IUPAC Name Markup":"Dioxoplatinum","IUPAC Name Preferred":"Dioxoplatinum","IUPAC Name Systematic":"Bis(oxidanylidene)platinum","IUPAC Name Traditional":"Diketoplatinum",InChI:"1S/2O.Pt",InChIKey:"YKIOKAURTKXMSB-UHFFFAOYSA-N","Exact Mass":226.954624,"Molecular Formula":"O2Pt","Molecular Weight":227.08,"Monoisotopic Mass":226.954624,Charge:0,"Easy Name":"Platinum (IV) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O2Pt1"},345552:{PUBCHEM:{CID:"345552","Compound Complexity":280,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"Pyridine-2,4,6-tricarboxylic acid","IUPAC Name CAS-like Style":"Pyridine-2,4,6-tricarboxylic acid","IUPAC Name Markup":"Pyridine-2,4,6-tricarboxylic acid","IUPAC Name Preferred":"Pyridine-2,4,6-tricarboxylic acid","IUPAC Name Systematic":"Pyridine-2,4,6-tricarboxylic acid","IUPAC Name Traditional":"Pyridine-2,4,6-tricarboxylic acid",InChI:"1S/C8H5NO6/c10-6(11)3-1-4(7(12)13)9-5(2-3)8(14)15/h1-2H,(H,10,11)(H,12,13)(H,14,15)",InChIKey:"CHGYKYXGIWNSCD-UHFFFAOYSA-N","Log P":.1,"Exact Mass":211.01168688,"Molecular Formula":"C8H5NO6","Molecular Weight":211.13,"Monoisotopic Mass":211.01168688,Charge:0,"Easy Name":"2, 4, 6-Pyridinetricarboxylic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C8H5N1O6"},345824:{PUBCHEM:{CID:"345824","Compound Complexity":244,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"6-methoxyquinoline-4-carboxylic acid","IUPAC Name CAS-like Style":"6-methoxy-4-quinolinecarboxylic acid","IUPAC Name Markup":"6-methoxyquinoline-4-carboxylic acid","IUPAC Name Preferred":"6-methoxyquinoline-4-carboxylic acid","IUPAC Name Systematic":"6-methoxyquinoline-4-carboxylic acid","IUPAC Name Traditional":"Quininic acid",InChI:"1S/C11H9NO3/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-6H,1H3,(H,13,14)",InChIKey:"XXLFLUJXWKXUGS-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":203.058243153,"Molecular Formula":"C11H9NO3","Molecular Weight":203.19,"Monoisotopic Mass":203.058243153,Charge:0,"Easy Name":"6-methoxyquinoline-4-carboxylic acid","Easy Category":"Heterocyclic compounds (2 rings)"},HSDB:{},ReducedFormula:"C11H9N1O3"},352855:{PUBCHEM:{CID:"352855","Compound Complexity":121,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-cyanopropanoic acid","IUPAC Name CAS-like Style":"2-cyanopropanoic acid","IUPAC Name Markup":"2-cyanopropanoic acid","IUPAC Name Preferred":"2-cyanopropanoic acid","IUPAC Name Systematic":"2-cyanopropanoic acid","IUPAC Name Traditional":"2-cyanopropionic acid",InChI:"1S/C4H5NO2/c1-3(2-5)4(6)7/h3H,1H3,(H,6,7)",InChIKey:"JDEFPFLTCXIVDH-UHFFFAOYSA-N","Log P":.2,"Exact Mass":99.032028405,"Molecular Formula":"C4H5NO2","Molecular Weight":99.09,"Monoisotopic Mass":99.032028405,Charge:0,"Easy Name":"2-Cyanopropanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C4H5N1O2"},354398:{PUBCHEM:{CID:"354398","Compound Complexity":726,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":26,"IUPAC Name Allowed":"(2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydrofuran-2-yl]tridecyl]-2H-furan-5-one","IUPAC Name CAS-like Style":"(2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]-2-oxolanyl]tridecyl]-2H-furan-5-one","IUPAC Name Markup":"(2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one","IUPAC Name Preferred":"(2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one","IUPAC Name Systematic":"(2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-tris(oxidanyl)-13-[(2R,5R)-5-[(1R)-1-oxidanyltridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one","IUPAC Name Traditional":"(2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydrofuran-2-yl]tridecyl]-2H-furan-5-one",InChI:"1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1",InChIKey:"XNODZYPOIPVPRF-CGWDHHCXSA-N","Log P":8.4,"Exact Mass":596.4652044,"Molecular Formula":"C35H64O7","Molecular Weight":596.9,"Monoisotopic Mass":596.4652044,Charge:0,"Easy Name":"Annonacin","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C35H64O7"},360252:{PUBCHEM:{CID:"360252","Compound Complexity":208,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(5-bromo-1H-indol-3-yl)-N,N-dimethyl-ethanamine","IUPAC Name CAS-like Style":"2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine","IUPAC Name Markup":"2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine","IUPAC Name Preferred":"2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine","IUPAC Name Systematic":"2-(5-bromanyl-1H-indol-3-yl)-N,N-dimethyl-ethanamine","IUPAC Name Traditional":"2-(5-bromo-1H-indol-3-yl)ethyl-dimethyl-amine",InChI:"1S/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3",InChIKey:"ATEYZYQLBQUZJE-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":266.04186,"Molecular Formula":"C12H15BrN2","Molecular Weight":267.16,"Monoisotopic Mass":266.04186,Charge:0,"Easy Name":"5-Bromo-DMT","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"Br1C12H15N2"},361939:{PUBCHEM:{CID:"361939","Compound Complexity":261,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":16,"IUPAC Name Allowed":"6-oxooctadecanoic acid","IUPAC Name CAS-like Style":"6-oxooctadecanoic acid","IUPAC Name Markup":"6-oxooctadecanoic acid","IUPAC Name Preferred":"6-oxooctadecanoic acid","IUPAC Name Systematic":"6-oxidanylideneoctadecanoic acid","IUPAC Name Traditional":"6-ketostearic acid",InChI:"1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h2-16H2,1H3,(H,20,21)",InChIKey:"QZLYZQUYIQGGOQ-UHFFFAOYSA-N","Log P":5.8,"Exact Mass":298.25079495,"Molecular Formula":"C18H34O3","Molecular Weight":298.5,"Monoisotopic Mass":298.25079495,Charge:0,"Easy Name":"6-Oxooctadecanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C18H34O3"},362562:{PUBCHEM:{CID:"362562","Compound Complexity":633,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name CAS-like Style":"4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol","IUPAC Name Markup":"4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Preferred":"4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Systematic":"4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Traditional":"4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol",InChI:"1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3",InChIKey:"HOGHBEDTLGAJAS-UHFFFAOYSA-N","Log P":6.1,"Exact Mass":392.19875938,"Molecular Formula":"C25H28O4","Molecular Weight":392.5,"Monoisotopic Mass":392.19875938,Charge:0,"Easy Name":"Erybraedin A","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C25H28O4"},363863:{PUBCHEM:{CID:"363863","Compound Complexity":416,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name CAS-like Style":"5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Markup":"5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Preferred":"5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Systematic":"5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol","IUPAC Name Traditional":"5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-16-ol",InChI:"1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2",InChIKey:"HUKSJTUUSUGIDC-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":"Inermin","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C16H12O5"},364842:{PUBCHEM:{CID:"364842","Compound Complexity":396,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"3-(2-bromophenyl)-2-methyl-quinazolin-4-one","IUPAC Name CAS-like Style":"3-(2-bromophenyl)-2-methyl-4-quinazolinone","IUPAC Name Markup":"3-(2-bromophenyl)-2-methylquinazolin-4-one","IUPAC Name Preferred":"3-(2-bromophenyl)-2-methylquinazolin-4-one","IUPAC Name Systematic":"3-(2-bromophenyl)-2-methyl-quinazolin-4-one","IUPAC Name Traditional":"3-(2-bromophenyl)-2-methyl-quinazolin-4-one",InChI:"1S/C15H11BrN2O/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16/h2-9H,1H3",InChIKey:"NBUSAPJNASSKBP-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":314.00548,"Molecular Formula":"C15H11BrN2O","Molecular Weight":315.16,"Monoisotopic Mass":314.00548,Charge:0,"Easy Name":"Mebroqualone","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C15H11N2O1"},367141:{PUBCHEM:{CID:"367141","Compound Complexity":649,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":7,"Rotatable Bond":4,"IUPAC Name Allowed":"[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name CAS-like Style":"3,4,5-trihydroxybenzoic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester","IUPAC Name Markup":"[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name Preferred":"[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","IUPAC Name Systematic":"[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate","IUPAC Name Traditional":"3,4,5-trihydroxybenzoic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester",InChI:"1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2",InChIKey:"LSHVYAFMTMFKBA-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":442.08999678,"Molecular Formula":"C22H18O10","Molecular Weight":442.4,"Monoisotopic Mass":442.08999678,Charge:0,"Easy Name":"Epicatechin gallate","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C22H18O10"},387316:{PUBCHEM:{CID:"387316","Compound Complexity":858,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid","IUPAC Name CAS-like Style":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]ethanesulfonic acid","IUPAC Name Markup":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid","IUPAC Name Preferred":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid","IUPAC Name Systematic":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid","IUPAC Name Traditional":"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid",InChI:"1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1",InChIKey:"BHTRKEVKTKCXOH-BJLOMENOSA-N","Log P":3.6,"Exact Mass":499.29675935,"Molecular Formula":"C26H45NO6S","Molecular Weight":499.7,"Monoisotopic Mass":499.29675935,Charge:0,"Easy Name":"Taurochenodeoxycholic Acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C26H45N1O6S1"},392705:{PUBCHEM:{CID:"392705","Compound Complexity":296,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2,6,6-trimethyltetrahydropyran-2,5-dicarboxylic acid","IUPAC Name CAS-like Style":"2,6,6-trimethyloxane-2,5-dicarboxylic acid","IUPAC Name Markup":"2,6,6-trimethyloxane-2,5-dicarboxylic acid","IUPAC Name Preferred":"2,6,6-trimethyloxane-2,5-dicarboxylic acid","IUPAC Name Systematic":"2,6,6-trimethyloxane-2,5-dicarboxylic acid","IUPAC Name Traditional":"2,6,6-trimethyltetrahydropyran-2,5-dicarboxylic acid",InChI:"1S/C10H16O5/c1-9(2)6(7(11)12)4-5-10(3,15-9)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",InChIKey:"KTSCHRREMZDLIP-UHFFFAOYSA-N","Log P":.5,"Exact Mass":216.09977361,"Molecular Formula":"C10H16O5","Molecular Weight":216.23,"Monoisotopic Mass":216.09977361,Charge:0,"Easy Name":"Cineolic Acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C10H16O5"},400772:{PUBCHEM:{CID:"400772","Compound Complexity":533,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one","IUPAC Name CAS-like Style":"7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4-quinazolinone","IUPAC Name Markup":"7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one","IUPAC Name Preferred":"7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one","IUPAC Name Systematic":"7-bromanyl-6-chloranyl-3-[2-oxidanylidene-3-[(2S,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one","IUPAC Name Traditional":"7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxy-2-piperidyl]-2-keto-propyl]quinazolin-4-one",InChI:"1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m0/s1",InChIKey:"LVASCWIMLIKXLA-LSDHHAIUSA-N","Log P":1.4,"Exact Mass":413.01418,"Molecular Formula":"C16H17BrClN3O3","Molecular Weight":414.7,"Monoisotopic Mass":413.01418,Charge:0,"Easy Name":"Halofuginone","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C16Cl1H17N3O3"},409301:{PUBCHEM:{CID:"409301","Compound Complexity":4.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloro(methyl)mercury","IUPAC Name CAS-like Style":"Chloro(methyl)mercury","IUPAC Name Markup":"Chloro(methyl)mercury","IUPAC Name Preferred":"Chloro(methyl)mercury","IUPAC Name Systematic":"Chloranyl(methyl)mercury","IUPAC Name Traditional":"Chloro(methyl)mercury",InChI:"1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1",InChIKey:"BABMCXWQNSQAOC-UHFFFAOYSA-M","Exact Mass":251.962971,"Molecular Formula":"CH3ClHg","Molecular Weight":251.08,"Monoisotopic Mass":251.962971,Charge:0,"Easy Name":"Chloro (methyl)mercury","Easy Category":"Organometallic compounds"},HSDB:{"Color And Form":{Value:"White crystals ... or plates from ethanol"},Density:{Value:"4.063"},"Melting Point":{Value:"170 °C"},Odor:{Value:"Characteristic"},"Vapor Pressure":{Value:"8.5X10-3 mm Hg at 25 °C"}},ReducedFormula:"C1Cl1H3Hg1"},411840:{PUBCHEM:{CID:"411840","Compound Complexity":58.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2-aminopropanenitrile","IUPAC Name CAS-like Style":"2-aminopropanenitrile","IUPAC Name Markup":"2-aminopropanenitrile","IUPAC Name Preferred":"2-aminopropanenitrile","IUPAC Name Systematic":"2-azanylpropanenitrile","IUPAC Name Traditional":"2-aminopropionitrile",InChI:"1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3",InChIKey:"UAMZETBJZRERCQ-UHFFFAOYSA-N","Log P":-.5,"Exact Mass":70.053098202,"Molecular Formula":"C3H6N2","Molecular Weight":70.09,"Monoisotopic Mass":70.053098202,Charge:0,"Easy Name":"2-Aminopropanenitrile","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C3H6N2"},417214:{PUBCHEM:{CID:"417214","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Trihydroxy(oxo)vanadium","IUPAC Name CAS-like Style":"Trihydroxy(oxo)vanadium","IUPAC Name Markup":"Trihydroxy(oxo)vanadium","IUPAC Name Preferred":"Trihydroxy(oxo)vanadium","IUPAC Name Systematic":"Tris(oxidanyl)-oxidanylidene-vanadium","IUPAC Name Traditional":"Trihydroxy(keto)vanadium",InChI:"1S/3H2O.O.V/h3*1H2;;/q;;;;+3/p-3",InChIKey:"WQEVDHBJGNOKKO-UHFFFAOYSA-K","Exact Mass":117.94709,"Molecular Formula":"H3O4V","Molecular Weight":117.963,"Monoisotopic Mass":117.94709,Charge:0,"Easy Name":"Vanadic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H3O4V1"},418559:{PUBCHEM:{CID:"418559","Compound Complexity":259,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"2-hydroxy-6,6-dimethyl-norpinane-2-carboxylic acid","IUPAC Name CAS-like Style":"2-hydroxy-6,6-dimethyl-2-bicyclo[3.1.1]heptanecarboxylic acid","IUPAC Name Markup":"2-hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid","IUPAC Name Preferred":"2-hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid","IUPAC Name Systematic":"6,6-dimethyl-2-oxidanyl-bicyclo[3.1.1]heptane-2-carboxylic acid","IUPAC Name Traditional":"2-hydroxy-6,6-dimethyl-norpinane-2-carboxylic acid",InChI:"1S/C10H16O3/c1-9(2)6-3-4-10(13,8(11)12)7(9)5-6/h6-7,13H,3-5H2,1-2H3,(H,11,12)",InChIKey:"JOVXDZIPAXYGSA-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":184.10994437,"Molecular Formula":"C10H16O3","Molecular Weight":184.23,"Monoisotopic Mass":184.10994437,Charge:0,"Easy Name":"4-hydroxy-6, 6-dimethylbicyclo[3.1.1]heptane-4-carboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O3"},419951:{PUBCHEM:{CID:"419951","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diiodocobalt","IUPAC Name CAS-like Style":"Diiodocobalt","IUPAC Name Markup":"Diiodocobalt","IUPAC Name Preferred":"Diiodocobalt","IUPAC Name Systematic":"Bis(iodanyl)cobalt","IUPAC Name Traditional":"Diiodocobalt",InChI:"1S/Co.2HI/h;2*1H/q+2;;/p-2",InChIKey:"AVWLPUQJODERGA-UHFFFAOYSA-L","Exact Mass":312.74214,"Molecular Formula":"CoI2","Molecular Weight":312.7421,"Monoisotopic Mass":312.74214,Charge:0,"Easy Name":"Cobalt (II) iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Co1I2"},421842:{PUBCHEM:{CID:"421842","Compound Complexity":54,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Piperidin-2-amine","IUPAC Name CAS-like Style":"2-piperidinamine","IUPAC Name Markup":"Piperidin-2-amine","IUPAC Name Preferred":"Piperidin-2-amine","IUPAC Name Systematic":"Piperidin-2-amine","IUPAC Name Traditional":"2-piperidylamine",InChI:"1S/C5H12N2/c6-5-3-1-2-4-7-5/h5,7H,1-4,6H2",InChIKey:"JAKNYTQAGPEFJB-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":100.1000484,"Molecular Formula":"C5H12N2","Molecular Weight":100.16,"Monoisotopic Mass":100.1000484,Charge:0,"Easy Name":"2-Aminopiperidine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C5H12N2"},422689:{PUBCHEM:{CID:"422689","Compound Complexity":114,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Permanganic acid","IUPAC Name CAS-like Style":"Permanganic acid","IUPAC Name Markup":"Permanganic acid","IUPAC Name Preferred":"Permanganic acid","IUPAC Name Systematic":"Permanganic acid","IUPAC Name Traditional":"Permanganic acid",InChI:"1S/Mn.H2O.3O/h;1H2;;;/q+1;;;;/p-1",InChIKey:"ZJBYBXHCMWGGRR-UHFFFAOYSA-M","Exact Mass":119.925527,"Molecular Formula":"HMnO4","Molecular Weight":119.944,"Monoisotopic Mass":119.925527,Charge:0,"Easy Name":"Permanganic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H1Mn1O4"},424361:{PUBCHEM:{CID:"424361","Compound Complexity":48,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Piperidin-4-amine","IUPAC Name CAS-like Style":"4-piperidinamine","IUPAC Name Markup":"Piperidin-4-amine","IUPAC Name Preferred":"Piperidin-4-amine","IUPAC Name Systematic":"Piperidin-4-amine","IUPAC Name Traditional":"4-piperidylamine",InChI:"1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2",InChIKey:"BCIIMDOZSUCSEN-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":100.1000484,"Molecular Formula":"C5H12N2","Molecular Weight":100.16,"Monoisotopic Mass":100.1000484,Charge:0,"Easy Name":"4-Aminopiperidine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C5H12N2"},425646:{PUBCHEM:{CID:"425646","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibromoiron","IUPAC Name CAS-like Style":"Dibromoiron","IUPAC Name Markup":"Dibromoiron","IUPAC Name Preferred":"Dibromoiron","IUPAC Name Systematic":"Bis(bromanyl)iron","IUPAC Name Traditional":"Dibromoiron",InChI:"1S/2BrH.Fe/h2*1H;/q;;+2/p-2",InChIKey:"GYCHYNMREWYSKH-UHFFFAOYSA-L","Exact Mass":215.76956,"Molecular Formula":"Br2Fe","Molecular Weight":215.65,"Monoisotopic Mass":213.77161,Charge:0,"Easy Name":"Iron (II) bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br2Fe1"},426210:{PUBCHEM:{CID:"426210","Compound Complexity":83.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2-dihydropyrazine","IUPAC Name CAS-like Style":"1,2-dihydropyrazine","IUPAC Name Markup":"1,2-dihydropyrazine","IUPAC Name Preferred":"1,2-dihydropyrazine","IUPAC Name Systematic":"1,2-dihydropyrazine","IUPAC Name Traditional":"1,2-dihydropyrazine",InChI:"1S/C4H6N2/c1-2-6-4-3-5-1/h1-3,6H,4H2",InChIKey:"QYMGRIFMUQCAJW-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":82.053098202,"Molecular Formula":"C4H6N2","Molecular Weight":82.1,"Monoisotopic Mass":82.053098202,Charge:0,"Easy Name":"1, 2-dihydropyrazine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H6N2"},426379:{PUBCHEM:{CID:"426379","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxotin","IUPAC Name CAS-like Style":"Sulfanylidenetin","IUPAC Name Markup":"Sulfanylidenetin","IUPAC Name Preferred":"Sulfanylidenetin","IUPAC Name Systematic":"Sulfanylidenetin","IUPAC Name Traditional":"Thioxotin",InChI:"1S/S.Sn",InChIKey:"AFNRRBXCCXDRPS-UHFFFAOYSA-N","Exact Mass":151.874273,"Molecular Formula":"SSn","Molecular Weight":150.78,"Monoisotopic Mass":151.874273,Charge:0,"Easy Name":"Tin (II) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"S1Sn1"},427209:{PUBCHEM:{CID:"427209","Compound Complexity":62.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexachloromolybdenum","IUPAC Name CAS-like Style":"Hexachloromolybdenum","IUPAC Name Markup":"Hexachloromolybdenum","IUPAC Name Preferred":"Hexachloromolybdenum","IUPAC Name Systematic":"Hexakis(chloranyl)molybdenum","IUPAC Name Traditional":"Hexachloromolybdenum",InChI:"1S/6ClH.Mo/h6*1H;/q;;;;;;+6/p-6",InChIKey:"DBGPLCIFYUHWKA-UHFFFAOYSA-H","Exact Mass":309.71557,"Molecular Formula":"Cl6Mo","Molecular Weight":308.7,"Monoisotopic Mass":307.71852,Charge:0,"Easy Name":"Hexachloromolybdenum","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl6Mo1"},427644:{PUBCHEM:{CID:"427644","Compound Complexity":536,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"5-(2,4,6-trioxohexahydropyrimidin-5-yl)iminohexahydropyrimidine-2,4,6-trione","IUPAC Name CAS-like Style":"5-[(2,4,6-trioxo-1,3-diazinan-5-yl)imino]-1,3-diazinane-2,4,6-trione","IUPAC Name Markup":"5-[(2,4,6-trioxo-1,3-diazinan-5-yl)imino]-1,3-diazinane-2,4,6-trione","IUPAC Name Preferred":"5-[(2,4,6-trioxo-1,3-diazinan-5-yl)imino]-1,3-diazinane-2,4,6-trione","IUPAC Name Systematic":"5-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]imino]-1,3-diazinane-2,4,6-trione","IUPAC Name Traditional":"5-(2,4,6-triketohexahydropyrimidin-5-yl)iminobarbituric acid",InChI:"1S/C8H5N5O6/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17/h1H,(H2,10,11,14,15,18)(H2,12,13,16,17,19)",InChIKey:"VQTZGUYEOZNKQH-UHFFFAOYSA-N","Log P":-2,"Exact Mass":267.0239829,"Molecular Formula":"C8H5N5O6","Molecular Weight":267.16,"Monoisotopic Mass":267.0239829,Charge:0,"Easy Name":"Purpuric acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C8H5N5O6"},429382:{PUBCHEM:{CID:"429382","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloroosmium","IUPAC Name CAS-like Style":"Dichloroosmium","IUPAC Name Markup":"Dichloroosmium","IUPAC Name Preferred":"Dichloroosmium","IUPAC Name Systematic":"Bis(chloranyl)osmium","IUPAC Name Traditional":"Dichloroosmium",InChI:"1S/2ClH.Os/h2*1H;/q;;+2/p-2",InChIKey:"OAGAGESCFZXSJR-UHFFFAOYSA-L","Exact Mass":261.89918,"Molecular Formula":"Cl2Os","Molecular Weight":261.1,"Monoisotopic Mass":261.89918,Charge:0,"Easy Name":"Osmium (2+) dichloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Os1"},432515:{PUBCHEM:{CID:"432515","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Stiboric acid","IUPAC Name CAS-like Style":"Stiboric acid","IUPAC Name Markup":"Stiboric acid","IUPAC Name Preferred":"Stiboric acid","IUPAC Name Systematic":"Stiboric acid","IUPAC Name Traditional":"Stiboric acid",InChI:"1S/3H2O.O.Sb/h3*1H2;;/q;;;;+3/p-3",InChIKey:"AQTIRDJOWSATJB-UHFFFAOYSA-K","Exact Mass":187.90694,"Molecular Formula":"H3O4Sb","Molecular Weight":188.78,"Monoisotopic Mass":187.90694,Charge:0,"Easy Name":"Antimonic acid","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H3O4Sb1"},433294:{PUBCHEM:{CID:"433294","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;chloride","IUPAC Name CAS-like Style":"Lithium;chloride","IUPAC Name Markup":"Lithium;chloride","IUPAC Name Preferred":"Lithium;chloride","IUPAC Name Systematic":"Lithium;chloride","IUPAC Name Traditional":"Lithium;chloride",InChI:"1S/ClH.Li/h1H;/q;+1/p-1",InChIKey:"KWGKDLIKAYFUFQ-UHFFFAOYSA-M","Exact Mass":41.9848561,"Molecular Formula":"ClLi","Molecular Weight":42.4,"Monoisotopic Mass":41.9848561,Charge:0,"Easy Name":"Lithium chloride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1383 °C"},"Color And Form":{Value:"Deliquescent, cubic crystals, granules or crystalline powder"},Density:{Value:"2.07 g/cu cm"},"Melting Point":{Value:"610 °C"},pH:{Value:"Aqueous solution: neutral or slightly alkaline"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.662"},Solubility:{Value:"84.5 g/100 g water at 25 °C; soluble in ethanol, acetone, pyridine"},Taste:{Value:"Sharp saline taste"},Uses:{Value:"MANUFACTURE MINERAL WATERS; IN PYROTECHNICS; SOLDERING ALUMINUM; IN REFRIGERATING MACHINES"},"Vapor Pressure":{Value:"1 mm Hg at 547 °C"}},ReducedFormula:"Cl1Li1"},439165:{PUBCHEM:{CID:"439165","Compound Complexity":277,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":6,"Rotatable Bond":3,"IUPAC Name Allowed":"[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate","IUPAC Name CAS-like Style":"[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] dihydrogen phosphate","IUPAC Name Markup":"[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate","IUPAC Name Preferred":"[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate","IUPAC Name Systematic":"[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate","IUPAC Name Traditional":"[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] dihydrogen phosphate",InChI:"1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1",InChIKey:"HXXFSFRBOHSIMQ-GASJEMHNSA-N","Log P":-3.8,"Exact Mass":260.02971899,"Molecular Formula":"C6H13O9P","Molecular Weight":260.14,"Monoisotopic Mass":260.02971899,Charge:0,"Easy Name":"D-glucose 1-phosphate","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H13O9P1"},439178:{PUBCHEM:{CID:"439178","Compound Complexity":382,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]oxane-3,4,5-triol","IUPAC Name Markup":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol","IUPAC Name Traditional":"(2R,3S,4S,5R,6S)-2-methylol-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",InChI:"1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12+/m1/s1",InChIKey:"GUBGYTABKSRVRQ-CUHNMECISA-N","Log P":-4.7,"Exact Mass":342.11621152,"Molecular Formula":"C12H22O11","Molecular Weight":342.3,"Monoisotopic Mass":342.11621152,Charge:0,"Easy Name":"Cellobiose","Easy Category":"Sugar"},HSDB:{},ReducedFormula:"C12H22O11"},439193:{PUBCHEM:{CID:"439193","Compound Complexity":382,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1",InChIKey:"DLRVVLDZNNYCBX-RTPHMHGBSA-N","Log P":-4.7,"Exact Mass":342.11621152,"Molecular Formula":"C12H22O11","Molecular Weight":342.3,"Monoisotopic Mass":342.11621152,Charge:0,"Easy Name":"Isomaltose","Easy Category":"Sugar"},HSDB:{},ReducedFormula:"C12H22O11"},439194:{PUBCHEM:{CID:"439194","Compound Complexity":69.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R)-2,3-dihydroxypropanoic acid","IUPAC Name CAS-like Style":"(2R)-2,3-dihydroxypropanoic acid","IUPAC Name Markup":"(2R)-2,3-dihydroxypropanoic acid","IUPAC Name Preferred":"(2R)-2,3-dihydroxypropanoic acid","IUPAC Name Systematic":"(2R)-2,3-bis(oxidanyl)propanoic acid","IUPAC Name Traditional":"(2R)-2,3-dihydroxypropionic acid",InChI:"1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1",InChIKey:"RBNPOMFGQQGHHO-UWTATZPHSA-N","Log P":-1.5,"Exact Mass":106.026608672,"Molecular Formula":"C3H6O4","Molecular Weight":106.08,"Monoisotopic Mass":106.026608672,Charge:0,"Easy Name":"D-Glyceric acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C3H6O4"},439197:{PUBCHEM:{CID:"439197","Compound Complexity":403,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":7,"Rotatable Bond":5,"IUPAC Name Allowed":"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid","IUPAC Name Markup":"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid","IUPAC Name Preferred":"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid","IUPAC Name Systematic":"(4S,5R,6R)-5-acetamido-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","IUPAC Name Traditional":"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid",InChI:"1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1",InChIKey:"SQVRNKJHWKZAKO-LUWBGTNYSA-N","Log P":-3.5,"Exact Mass":309.10598119,"Molecular Formula":"C11H19NO9","Molecular Weight":309.27,"Monoisotopic Mass":309.10598119,Charge:0,"Easy Name":"N-Acetylneuraminic acid","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C11H19N1O9"},439207:{PUBCHEM:{CID:"439207","Compound Complexity":1210,"Hydrogen Bond Acceptor":26,"Hydrogen Bond Donor":17,"Rotatable Bond":13,"IUPAC Name Allowed":"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-2-oxanyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Markup":"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol","IUPAC Name Traditional":"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C30H52O26/c31-1-6-11(35)13(37)19(43)28(50-6)55-24-9(4-34)52-27(21(45)16(24)40)48-5-10-25(56-29-20(44)14(38)12(36)7(2-32)51-29)17(41)22(46)30(53-10)54-23-8(3-33)49-26(47)18(42)15(23)39/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-/m1/s1",InChIKey:"WMGFVAGNIYUEEP-WUYNJSITSA-N","Log P":-10.6,"Exact Mass":828.27468179,"Molecular Formula":"C30H52O26","Molecular Weight":828.7,"Monoisotopic Mass":828.27468179,Charge:0,"Easy Name":"Amylopectin","Easy Category":"Carbohydrate"},HSDB:{},ReducedFormula:"C30H52O26"},439213:{PUBCHEM:{CID:"439213","Compound Complexity":155,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol","IUPAC Name CAS-like Style":"(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Markup":"(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Preferred":"(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Systematic":"(3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Traditional":"(3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol",InChI:"1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1",InChIKey:"MSWZFWKMSRAUBD-IVMDWMLBSA-N","Log P":-2.8,"Exact Mass":179.07937252,"Molecular Formula":"C6H13NO5","Molecular Weight":179.17,"Monoisotopic Mass":179.07937252,Charge:0,"Easy Name":"Glucosamine","Easy Category":"Aldohexose"},HSDB:{"Melting Point":{Value:"88 °C"},Solubility:{Value:"In water, 1X10+6 mg/l at 25 °C (est)"},Uses:{Value:"Antiarthritic"},"Vapor Pressure":{Value:"9.02X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C6H13N1O5"},439230:{PUBCHEM:{CID:"439230","Compound Complexity":123,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(3R)-3,5-dihydroxy-3-methyl-pentanoic acid","IUPAC Name CAS-like Style":"(3R)-3,5-dihydroxy-3-methylpentanoic acid","IUPAC Name Markup":"(3R)-3,5-dihydroxy-3-methylpentanoic acid","IUPAC Name Preferred":"(3R)-3,5-dihydroxy-3-methylpentanoic acid","IUPAC Name Systematic":"(3R)-3-methyl-3,5-bis(oxidanyl)pentanoic acid","IUPAC Name Traditional":"(3R)-3,5-dihydroxy-3-methyl-valeric acid",InChI:"1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1",InChIKey:"KJTLQQUUPVSXIM-ZCFIWIBFSA-N","Log P":-1,"Exact Mass":148.07355887,"Molecular Formula":"C6H12O4","Molecular Weight":148.16,"Monoisotopic Mass":148.07355887,Charge:0,"Easy Name":" (R)-Mevalonic acid","Easy Category":"Hydroxy acids"},HSDB:{"Color And Form":{Value:"Oily liquid"},Solubility:{Value:"Very soluble in water, but also soluble in organic solvents, especially polar organic solvents."},Uses:{Value:"... An inhibitor of cholesterol synthesis"},"Vapor Pressure":{Value:"1.7X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"C6H12O4"},439242:{PUBCHEM:{CID:"439242","Compound Complexity":655,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":11,"Rotatable Bond":8,"IUPAC Name Allowed":"(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Markup":"(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Preferred":"(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Systematic":"(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Traditional":"(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",InChIKey:"MUPFEKGTMRGPLJ-ZQSKZDJDSA-N","Log P":-5.8,"Exact Mass":504.16903495,"Molecular Formula":"C18H32O16","Molecular Weight":504.4,"Monoisotopic Mass":504.16903495,Charge:0,"Easy Name":"Raffinose","Easy Category":"Sugar"},HSDB:{},ReducedFormula:"C18H32O16"},439246:{PUBCHEM:{CID:"439246","Compound Complexity":363,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one","IUPAC Name CAS-like Style":"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"(2S)-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one",InChI:"1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",InChIKey:"FTVWIRXFELQLPI-ZDUSSCGKSA-N","Log P":2.4,"Exact Mass":272.06847348,"Molecular Formula":"C15H12O5","Molecular Weight":272.25,"Monoisotopic Mass":272.06847348,Charge:0,"Easy Name":"Naringenin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O5"},439260:{PUBCHEM:{CID:"439260","Compound Complexity":142,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol","IUPAC Name CAS-like Style":"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol","IUPAC Name Markup":"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol","IUPAC Name Preferred":"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol","IUPAC Name Systematic":"4-[(1R)-2-azanyl-1-oxidanyl-ethyl]benzene-1,2-diol","IUPAC Name Traditional":"4-[(1R)-2-amino-1-hydroxy-ethyl]pyrocatechol",InChI:"1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",InChIKey:"SFLSHLFXELFNJZ-QMMMGPOBSA-N","Log P":-1.2,"Exact Mass":169.07389322,"Molecular Formula":"C8H11NO3","Molecular Weight":169.18,"Monoisotopic Mass":169.07389322,Charge:0,"Easy Name":"Norepinephrine","Easy Category":"Catecholamine"},HSDB:{"Color And Form":{Value:"Colorless microcrystals"},"Melting Point":{Value:"217 °C (decomposes)"},Solubility:{Value:"Slightly soluble in water, ethanol, diethyl ether; very soluble in alkali, dilute hydrochloric acid"},Uses:{Value:"Therapeutic Category: Adrenergic (vasopressor); antihypotensive"},"Vapor Pressure":{Value:"7.5X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C8H11N1O3"},439280:{PUBCHEM:{CID:"439280","Compound Complexity":272,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid","IUPAC Name Markup":"(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid","IUPAC Name Preferred":"(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid","IUPAC Name Traditional":"(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid",InChI:"1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1",InChIKey:"LDCYZAJDBXYCGN-VIFPVBQESA-N","Log P":-1.2,"Exact Mass":220.08479225,"Molecular Formula":"C11H12N2O3","Molecular Weight":220.22,"Monoisotopic Mass":220.08479225,Charge:0,"Easy Name":"5-Hydroxytryptophan","Easy Category":"Amino acids"},HSDB:{"Color And Form":{Value:"Minute rods or needles from ethanol"},"Melting Point":{Value:"298-300 °C (decomposes)"},Solubility:{Value:"Solubilities: 2.5 g/100 mL in 50% boiling alcohol; 5.5 g/100 mL in water at 100 °C"},Uses:{Value:"Antidepressant; in treatment of myoclonus"},"Vapor Pressure":{Value:"2.55X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C11H12N2O3"},439302:{PUBCHEM:{CID:"439302","Compound Complexity":1870,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":12,"Rotatable Bond":17,"IUPAC Name Allowed":"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide","IUPAC Name CAS-like Style":"(2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide","IUPAC Name Markup":"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide","IUPAC Name Preferred":"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide","IUPAC Name Systematic":"(2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide","IUPAC Name Traditional":"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-keto-ethyl)-10-(3-amino-3-keto-propyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaketo-13-[(1S)-1-methylpropyl]-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carbonyl]-N-[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide",InChI:"1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1",InChIKey:"XNOPRXBHLZRZKH-DSZYJQQASA-N","Log P":-2.6,"Exact Mass":1006.43645797,"Molecular Formula":"C43H66N12O12S2","Molecular Weight":1007.2,"Monoisotopic Mass":1006.43645797,Charge:0,"Easy Name":"Oxytocin","Easy Category":"Hormone"},HSDB:{"Color And Form":{Value:"White powder"},Solubility:{Value:"Soluble in water, butanol"},Uses:{Value:"MEDICATION"},"Vapor Pressure":{Value:"0.0 mm Hg at 25 °C (est)"}},ReducedFormula:"C43H66N12O12S2"},439314:{PUBCHEM:{CID:"439314","Compound Complexity":58.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(3R)-3-hydroxybutan-2-one","IUPAC Name CAS-like Style":"(3R)-3-hydroxy-2-butanone","IUPAC Name Markup":"(3R)-3-hydroxybutan-2-one","IUPAC Name Preferred":"(3R)-3-hydroxybutan-2-one","IUPAC Name Systematic":"(3R)-3-oxidanylbutan-2-one","IUPAC Name Traditional":"(3R)-3-hydroxybutan-2-one",InChI:"1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1",InChIKey:"ROWKJAVDOGWPAT-GSVOUGTGSA-N","Log P":-.3,"Exact Mass":88.052429497,"Molecular Formula":"C4H8O2","Molecular Weight":88.11,"Monoisotopic Mass":88.052429497,Charge:0,"Easy Name":" (R)-acetoin","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C4H8O2"},439353:{PUBCHEM:{CID:"439353","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3R,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",InChIKey:"WQZGKKKJIJFFOK-FPRJBGLDSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Galactopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},439373:{PUBCHEM:{CID:"439373","Compound Complexity":181,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"(3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one","IUPAC Name CAS-like Style":"(3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-oxolanone","IUPAC Name Markup":"(3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one","IUPAC Name Preferred":"(3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one","IUPAC Name Systematic":"(3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one","IUPAC Name Traditional":"(3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",InChI:"1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1",InChIKey:"SXZYCXMUPBBULW-SKNVOMKLSA-N","Log P":-2,"Exact Mass":178.04773804,"Molecular Formula":"C6H10O6","Molecular Weight":178.14,"Monoisotopic Mass":178.04773804,Charge:0,"Easy Name":"L-Gulonic γ-lactone","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C6H10O6"},439400:{PUBCHEM:{CID:"439400","Compound Complexity":247,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":6,"IUPAC Name Allowed":"(3R)-3-hydroxy-3-methyl-5-phosphonooxy-pentanoic acid","IUPAC Name CAS-like Style":"(3R)-3-hydroxy-3-methyl-5-phosphonooxypentanoic acid","IUPAC Name Markup":"(3R)-3-hydroxy-3-methyl-5-phosphonooxypentanoic acid","IUPAC Name Preferred":"(3R)-3-hydroxy-3-methyl-5-phosphonooxypentanoic acid","IUPAC Name Systematic":"(3R)-3-methyl-3-oxidanyl-5-phosphonooxy-pentanoic acid","IUPAC Name Traditional":"(3R)-3-hydroxy-3-methyl-5-phosphonooxy-valeric acid",InChI:"1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1",InChIKey:"OKZYCXHTTZZYSK-ZCFIWIBFSA-N","Log P":-2.1,"Exact Mass":228.03988975,"Molecular Formula":"C6H13O7P","Molecular Weight":228.14,"Monoisotopic Mass":228.03988975,Charge:0,"Easy Name":" (R)-5-phosphomevalonic acid","Easy Category":"Organophosphorus"},HSDB:{},ReducedFormula:"C6H13O7P1"},439501:{PUBCHEM:{CID:"439501","Compound Complexity":1080,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name CAS-like Style":"3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name Markup":"3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name Preferred":"3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name Systematic":"3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,5,11,14-tetrakis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name Traditional":"3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-13-methyl-10-methylol-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",InChI:"1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",InChIKey:"LPMXVESGRSUGHW-HBYQJFLCSA-N","Log P":-1.7,"Exact Mass":584.28327685,"Molecular Formula":"C29H44O12","Molecular Weight":584.7,"Monoisotopic Mass":584.28327685,Charge:0,"Easy Name":"Ouabain","Easy Category":"Glycoside"},HSDB:{"Color And Form":{Value:"Crystals from water"},"Melting Point":{Value:"200 °C"},Solubility:{Value:"Slightly soluble in water"},Uses:{Value:"Ouabain is a cardiac glycoside commonly used in the laboratory for electrophysiological experiments in cardiac myocytes."}},ReducedFormula:"C29H44O12"},439517:{PUBCHEM:{CID:"439517","Compound Complexity":303,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":7,"IUPAC Name Allowed":"(2S)-2-amino-5-[2-[4-(hydroxymethyl)phenyl]hydrazino]-5-oxo-pentanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-5-[[4-(hydroxymethyl)phenyl]hydrazo]-5-oxopentanoic acid","IUPAC Name Markup":"(2S)-2-amino-5-[2-[4-(hydroxymethyl)phenyl]hydrazinyl]-5-oxopentanoic acid","IUPAC Name Preferred":"(2S)-2-amino-5-[2-[4-(hydroxymethyl)phenyl]hydrazinyl]-5-oxopentanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-5-[2-[4-(hydroxymethyl)phenyl]hydrazinyl]-5-oxidanylidene-pentanoic acid","IUPAC Name Traditional":"(2S)-2-amino-5-keto-5-[N'-(4-methylolphenyl)hydrazino]valeric acid",InChI:"1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1",InChIKey:"SRSPQXBFDCGXIZ-JTQLQIEISA-N","Log P":-2.8,"Exact Mass":267.12190604,"Molecular Formula":"C12H17N3O4","Molecular Weight":267.28,"Monoisotopic Mass":267.12190604,Charge:0,"Easy Name":"Agaritine","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Color And Form":{Value:"GLISTENING CRYSTALS FROM DILUTE ALCOHOL"},"Melting Point":{Value:"205-209 °C (decomposes)"},Solubility:{Value:"VERY FREELY SOL IN WATER; PRACTICALLY INSOL IN USUAL ANHYDROUS ORG SOLVENTS"}},ReducedFormula:"C12H17N3O4"},439533:{PUBCHEM:{CID:"439533","Compound Complexity":428,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one","IUPAC Name CAS-like Style":"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one",InChI:"1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",InChIKey:"CXQWRCVTCMQVQX-LSDHHAIUSA-N","Log P":1.5,"Exact Mass":304.05830272,"Molecular Formula":"C15H12O7","Molecular Weight":304.25,"Monoisotopic Mass":304.05830272,Charge:0,"Easy Name":"Taxifolin","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C15H12O7"},439548:{PUBCHEM:{CID:"439548","Compound Complexity":139,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2S,3S,4S,5S,6R)-6-methyltetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4S,5S,6R)-6-methyltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m1/s1",InChIKey:"SHZGCJCMOBCMKK-PQMKYFCFSA-N","Log P":-2.1,"Exact Mass":164.06847348,"Molecular Formula":"C6H12O5","Molecular Weight":164.16,"Monoisotopic Mass":164.06847348,Charge:0,"Easy Name":"Α-D-Rhamnopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O5"},439554:{PUBCHEM:{CID:"439554","Compound Complexity":139,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2R,3S,4R,5S,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3S,4R,5S,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",InChIKey:"SHZGCJCMOBCMKK-SXUWKVJYSA-N","Log P":-2.1,"Exact Mass":164.06847348,"Molecular Formula":"C6H12O5","Molecular Weight":164.16,"Monoisotopic Mass":164.06847348,Charge:0,"Easy Name":"Α-L-Fucopyranose","Easy Category":"Monosaccharide"},HSDB:{},ReducedFormula:"C6H12O5"},439570:{PUBCHEM:{CID:"439570","Compound Complexity":223,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one","IUPAC Name CAS-like Style":"(5R)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enone","IUPAC Name Markup":"(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one","IUPAC Name Preferred":"(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one","IUPAC Name Systematic":"(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one","IUPAC Name Traditional":"(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one",InChI:"1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1",InChIKey:"ULDHMXUKGWMISQ-SECBINFHSA-N","Log P":2.4,"Exact Mass":150.10446507,"Molecular Formula":"C10H14O","Molecular Weight":150.22,"Monoisotopic Mass":150.10446507,Charge:0,"Easy Name":"R (-)-Carvone","Easy Category":"Terpenoid"},HSDB:{"Boiling Point":{Value:"230-231 °C"},"Color And Form":{Value:"Pale-yellowish or colorless liquid"},"Refractive Index":{Value:"Index of refraction = 1.5003 at 20 °C"},Solubility:{Value:"In water, 367 mg/L at 25 °C (est)"},Uses:{Value:"As oil of caraway; also for flavoring liqueurs; in perfumery and soaps."},"Vapor Pressure":{Value:"0.115 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H14O1"},439616:{PUBCHEM:{CID:"439616","Compound Complexity":138,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S)-2-hydroxy-2-phenyl-acetic acid","IUPAC Name CAS-like Style":"(2S)-2-hydroxy-2-phenylacetic acid","IUPAC Name Markup":"(2S)-2-hydroxy-2-phenylacetic acid","IUPAC Name Preferred":"(2S)-2-hydroxy-2-phenylacetic acid","IUPAC Name Systematic":"(2S)-2-oxidanyl-2-phenyl-ethanoic acid","IUPAC Name Traditional":"(2S)-2-hydroxy-2-phenyl-acetic acid",InChI:"1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1",InChIKey:"IWYDHOAUDWTVEP-ZETCQYMHSA-N","Log P":.6,"Exact Mass":152.047344117,"Molecular Formula":"C8H8O3","Molecular Weight":152.15,"Monoisotopic Mass":152.047344117,Charge:0,"Easy Name":" (2S)-2-hydroxy-2-phenylacetic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C8H8O3"},439655:{PUBCHEM:{CID:"439655","Compound Complexity":134,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S,3S)-2,3-dihydroxybutanedioic acid","IUPAC Name CAS-like Style":"(2S,3S)-2,3-dihydroxybutanedioic acid","IUPAC Name Markup":"(2S,3S)-2,3-dihydroxybutanedioic acid","IUPAC Name Preferred":"(2S,3S)-2,3-dihydroxybutanedioic acid","IUPAC Name Systematic":"(2S,3S)-2,3-bis(oxidanyl)butanedioic acid","IUPAC Name Traditional":"(2S,3S)-2,3-dihydroxysuccinic acid",InChI:"1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1",InChIKey:"FEWJPZIEWOKRBE-LWMBPPNESA-N","Log P":-1.9,"Exact Mass":150.01643791,"Molecular Formula":"C4H6O6","Molecular Weight":150.09,"Monoisotopic Mass":150.01643791,Charge:0,"Easy Name":"Levotartaric acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C4H6O6"},439678:{PUBCHEM:{CID:"439678","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2S,3S,4S,5R)-tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4S,5R)-tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5+/m1/s1",InChIKey:"SRBFZHDQGSBBOR-STGXQOJASA-N","Log P":-2.5,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-D-Lyxopyranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},439680:{PUBCHEM:{CID:"439680","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3S,4S,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1",InChIKey:"WQZGKKKJIJFFOK-RWOPYEJCSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Mannopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},439685:{PUBCHEM:{CID:"439685","Compound Complexity":154,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R)-5-oxopyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"(2R)-5-oxo-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"(2R)-5-oxopyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"(2R)-5-oxopyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"(2R)-5-oxidanylidenepyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"(2R)-5-ketoproline",InChI:"1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",InChIKey:"ODHCTXKNWHHXJC-GSVOUGTGSA-N","Log P":-.8,"Exact Mass":129.042593089,"Molecular Formula":"C5H7NO3","Molecular Weight":129.11,"Monoisotopic Mass":129.042593089,Charge:0,"Easy Name":"D-Pyroglutamic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C5H7N1O3"},439691:{PUBCHEM:{CID:"439691","Compound Complexity":72.1,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R)-2-aminobutanoic acid","IUPAC Name CAS-like Style":"(2R)-2-aminobutanoic acid","IUPAC Name Markup":"(2R)-2-aminobutanoic acid","IUPAC Name Preferred":"(2R)-2-aminobutanoic acid","IUPAC Name Systematic":"(2R)-2-azanylbutanoic acid","IUPAC Name Traditional":"(2R)-2-aminobutyric acid",InChI:"1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",InChIKey:"QWCKQJZIFLGMSD-GSVOUGTGSA-N","Log P":-2.5,"Exact Mass":103.063328534,"Molecular Formula":"C4H9NO2","Molecular Weight":103.12,"Monoisotopic Mass":103.063328534,Charge:0,"Easy Name":"D-alpha-Aminobutyric acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C4H9N1O2"},439709:{PUBCHEM:{CID:"439709","Compound Complexity":162,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4S,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1",InChIKey:"RFSUNEUAIZKAJO-ARQDHWQXSA-N","Log P":-2.3,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-fructofuranose","Easy Category":"Ketohexoses"},HSDB:{},ReducedFormula:"C6H12O6"},439710:{PUBCHEM:{CID:"439710","Compound Complexity":139,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2R,3R,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3R,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1",InChIKey:"SHZGCJCMOBCMKK-HGVZOGFYSA-N","Log P":-2.1,"Exact Mass":164.06847348,"Molecular Formula":"C6H12O5","Molecular Weight":164.16,"Monoisotopic Mass":164.06847348,Charge:0,"Easy Name":"Α-L-rhamnopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O5"},440014:{PUBCHEM:{CID:"440014","Compound Complexity":125,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"(2R,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"(2R,4R)-4-oxidanylpyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"(2R,4R)-4-hydroxyproline",InChI:"1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1",InChIKey:"PMMYEEVYMWASQN-QWWZWVQMSA-N","Log P":-3.3,"Exact Mass":131.058243153,"Molecular Formula":"C5H9NO3","Molecular Weight":131.13,"Monoisotopic Mass":131.058243153,Charge:0,"Easy Name":" (2R, 4R)-4-Hydroxyproline","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C5H9N1O3"},440015:{PUBCHEM:{CID:"440015","Compound Complexity":125,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,4S)-4-hydroxy-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"(2S,4S)-4-oxidanylpyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"(2S,4S)-4-hydroxyproline",InChI:"1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1",InChIKey:"PMMYEEVYMWASQN-IMJSIDKUSA-N","Log P":-3.3,"Exact Mass":131.058243153,"Molecular Formula":"C5H9NO3","Molecular Weight":131.13,"Monoisotopic Mass":131.058243153,Charge:0,"Easy Name":" (2S, 4S)-4-hydroxypyrrolidine-2-carboxylic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C5H9N1O3"},440074:{PUBCHEM:{CID:"440074","Compound Complexity":125,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"(2R,4S)-4-hydroxy-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"(2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"(2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"(2R,4S)-4-oxidanylpyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"(2R,4S)-4-hydroxyproline",InChI:"1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1",InChIKey:"PMMYEEVYMWASQN-IUYQGCFVSA-N","Log P":-3.3,"Exact Mass":131.058243153,"Molecular Formula":"C5H9NO3","Molecular Weight":131.13,"Monoisotopic Mass":131.058243153,Charge:0,"Easy Name":" (4S)-4-Hydroxy-D-proline","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C5H9N1O3"},440545:{PUBCHEM:{CID:"440545","Compound Complexity":162,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1",InChIKey:"LKDRXBCSQODPBY-ZXXMMSQZSA-N","Log P":-2.8,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-fructopyranose","Easy Category":"Ketohexoses"},HSDB:{},ReducedFormula:"C6H12O6"},440560:{PUBCHEM:{CID:"440560","Compound Complexity":716,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"(3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name CAS-like Style":"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Markup":"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Preferred":"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Systematic":"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Traditional":"(3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",InChI:"1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",InChIKey:"MBZYKEVPFYHDOH-BQNIITSRSA-N","Log P":9.4,"Exact Mass":428.4018163,"Molecular Formula":"C30H52O","Molecular Weight":428.7,"Monoisotopic Mass":428.4018163,Charge:0,"Easy Name":"Lanostenol","Easy Category":"Steroid"},HSDB:{},ReducedFormula:"C30H52O1"},440735:{PUBCHEM:{CID:"440735","Compound Complexity":400,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one","IUPAC Name CAS-like Style":"(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"(2S)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one",InChI:"1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",InChIKey:"SBHXYTNGIZCORC-ZDUSSCGKSA-N","Log P":2,"Exact Mass":288.0633881,"Molecular Formula":"C15H12O6","Molecular Weight":288.25,"Monoisotopic Mass":288.0633881,Charge:0,"Easy Name":"Eriodictyol","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O6"},440832:{PUBCHEM:{CID:"440832","Compound Complexity":328,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(4-hydroxyphenyl)chromenylium-3,5,7-triol","IUPAC Name CAS-like Style":"2-(4-hydroxyphenyl)-1-benzopyrylium-3,5,7-triol","IUPAC Name Markup":"2-(4-hydroxyphenyl)chromenylium-3,5,7-triol","IUPAC Name Preferred":"2-(4-hydroxyphenyl)chromenylium-3,5,7-triol","IUPAC Name Systematic":"2-(4-hydroxyphenyl)chromenylium-3,5,7-triol","IUPAC Name Traditional":"2-(4-hydroxyphenyl)-1-benzopyrylium-3,5,7-triol",InChI:"1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1",InChIKey:"XVFMGWDSJLBXDZ-UHFFFAOYSA-O","Exact Mass":271.06064845,"Molecular Formula":"C15H11O5+","Molecular Weight":271.24,"Monoisotopic Mass":271.06064845,Charge:1,"Easy Name":"Pelargonidin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"+1C15H11O5"},440933:{PUBCHEM:{CID:"440933","Compound Complexity":133,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one","IUPAC Name CAS-like Style":"1-[(2R)-1-methyl-2-pyrrolidinyl]-2-propanone","IUPAC Name Markup":"1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one","IUPAC Name Preferred":"1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one","IUPAC Name Systematic":"1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one","IUPAC Name Traditional":"1-[(2R)-1-methylpyrrolidin-2-yl]acetone",InChI:"1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m1/s1",InChIKey:"ADKXZIOQKHHDNQ-MRVPVSSYSA-N","Log P":.5,"Exact Mass":141.11536411,"Molecular Formula":"C8H15NO","Molecular Weight":141.21,"Monoisotopic Mass":141.11536411,Charge:0,"Easy Name":"Hygrine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C8H15N1O1"},440936:{PUBCHEM:{CID:"440936","Compound Complexity":279,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol","IUPAC Name Markup":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol","IUPAC Name Traditional":"(2S,3R,4S,5S,6R)-2-(4-hydroxyphenoxy)-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",InChIKey:"BJRNKVDFDLYUGJ-RMPHRYRLSA-N","Log P":-.7,"Exact Mass":272.08960285,"Molecular Formula":"C12H16O7","Molecular Weight":272.25,"Monoisotopic Mass":272.08960285,Charge:0,"Easy Name":"Arbutin","Easy Category":"Glycoside"},HSDB:{"Color And Form":{Value:"Colorless elongated prisms from moist ethyl acetate"},"Melting Point":{Value:"199 °C"},Solubility:{Value:"Slightly soluble in ethyl ether; insoluble in benzene, chloroform, CS2"},Uses:{Value:"In cosmetics as skin lightening agent"},"Vapor Pressure":{Value:"2.30X10-12 mm Hg at 25 °C (est)"}},ReducedFormula:"C12H16O7"},441071:{PUBCHEM:{CID:"441071","Compound Complexity":689,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one","IUPAC Name CAS-like Style":"(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one","IUPAC Name Markup":"(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one","IUPAC Name Preferred":"(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one","IUPAC Name Systematic":"(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one","IUPAC Name Traditional":"(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one",InChI:"1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1",InChIKey:"QMGVPVSNSZLJIA-FVWCLLPLSA-N","Log P":1.9,"Exact Mass":334.16812796,"Molecular Formula":"C21H22N2O2","Molecular Weight":334.4,"Monoisotopic Mass":334.16812796,Charge:0,"Easy Name":"Strychnine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Brilliant, colorless cubes from chloroform-ether"},Density:{Value:"1.36 g/cu m at 20 °C"},"Melting Point":{Value:"284 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH 9.5, saturated solution"},Solubility:{Value:"In water, 160 mg/L at 25 °C"},Taste:{Value:"Very bitter metallic taste"},Uses:{Value:"For strychnine (USEPA/OPP Pesticide Code: 076901) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.93X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C21H22N2O2"},441072:{PUBCHEM:{CID:"441072","Compound Complexity":71,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S)-2-propylpiperidine","IUPAC Name CAS-like Style":"(2S)-2-propylpiperidine","IUPAC Name Markup":"(2S)-2-propylpiperidine","IUPAC Name Preferred":"(2S)-2-propylpiperidine","IUPAC Name Systematic":"(2S)-2-propylpiperidine","IUPAC Name Traditional":"(2S)-2-propylpiperidine",InChI:"1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1",InChIKey:"NDNUANOUGZGEPO-QMMMGPOBSA-N","Log P":2,"Exact Mass":127.13609955,"Molecular Formula":"C8H17N","Molecular Weight":127.23,"Monoisotopic Mass":127.13609955,Charge:0,"Easy Name":"Coniine","Easy Category":"Alkaloid"},HSDB:{"Boiling Point":{Value:"133 °C"},"Color And Form":{Value:"COLORLESS LIQUID"},Density:{Value:"0.844-0.848 @ 20 °C/4 °C"},"Melting Point":{Value:"SOLIDIFIES AROUND -2 °C"},Odor:{Value:"MOUSY ODOR"},pH:{Value:"ALKALINE"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4505 @ 23 °C/D; SPECIFIC OPTICAL ROTATION: +16 DEG @ 19 °C/D"},Solubility:{Value:"SOLUBLE IN ALCOHOL, ETHER, ACETONE, BENZENE, AMYL ALCOHOL; SLIGHTLY SOL IN CHLOROFORM; ONE ML DISSOLVES IN 90 ML WATER, LESS SOL IN HOT WATER; THE BASE DISSOLVES ABOUT 25% WATER AT ROOM TEMPERATURE"}},ReducedFormula:"C8H17N1"},441373:{PUBCHEM:{CID:"441373","Compound Complexity":801,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxo-xanthen-4-yl]mercury;hydrate","IUPAC Name CAS-like Style":"Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxo-4-xanthenyl]mercury;hydrate","IUPAC Name Markup":"Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate","IUPAC Name Preferred":"Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate","IUPAC Name Systematic":"Disodium;[2,7-bis(bromanyl)-9-(2-carboxylatophenyl)-3-oxidanidyl-6-oxidanylidene-xanthen-4-yl]mercury;hydrate","IUPAC Name Traditional":"Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-6-keto-3-oxido-xanthen-4-yl]mercury;hydrate",InChI:"1S/C20H9Br2O5.Hg.2Na.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;;;/h1-7,24H,(H,25,26);;;;1H2/q;;2*+1;/p-2",InChIKey:"KQSRXDXJGUJRKE-UHFFFAOYSA-L","Exact Mass":752.82472,"Molecular Formula":"C20H9Br2HgNa2O6","Molecular Weight":751.7,"Monoisotopic Mass":750.82677,Charge:0,"Easy Name":"Merbromin","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C20H9Hg1Na2O6"},441457:{PUBCHEM:{CID:"441457","Compound Complexity":110,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1S,2S)-2-amino-1-phenyl-propan-1-ol","IUPAC Name CAS-like Style":"(1S,2S)-2-amino-1-phenyl-1-propanol","IUPAC Name Markup":"(1S,2S)-2-amino-1-phenylpropan-1-ol","IUPAC Name Preferred":"(1S,2S)-2-amino-1-phenylpropan-1-ol","IUPAC Name Systematic":"(1S,2S)-2-azanyl-1-phenyl-propan-1-ol","IUPAC Name Traditional":"(1S,2S)-2-amino-1-phenyl-propan-1-ol",InChI:"1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1",InChIKey:"DLNKOYKMWOXYQA-IONNQARKSA-N","Log P":.8,"Exact Mass":151.09971404,"Molecular Formula":"C9H13NO","Molecular Weight":151.21,"Monoisotopic Mass":151.09971404,Charge:0,"Easy Name":"Cathine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C9H13N1O1"},441476:{PUBCHEM:{CID:"441476","Compound Complexity":205,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",InChI:"1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1",InChIKey:"AEMOLEFTQBMNLQ-DTEWXJGMSA-N","Log P":-2.3,"Exact Mass":194.04265266,"Molecular Formula":"C6H10O7","Molecular Weight":194.14,"Monoisotopic Mass":194.04265266,Charge:0,"Easy Name":"Β-D-Galactopyranuronic acid","Easy Category":"Uronic acid"},HSDB:{},ReducedFormula:"C6H10O7"},441477:{PUBCHEM:{CID:"441477","Compound Complexity":155,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol","IUPAC Name CAS-like Style":"(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Markup":"(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Preferred":"(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Systematic":"(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol","IUPAC Name Traditional":"(2R,3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol",InChI:"1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1",InChIKey:"MSWZFWKMSRAUBD-QZABAPFNSA-N","Log P":-2.8,"Exact Mass":179.07937252,"Molecular Formula":"C6H13NO5","Molecular Weight":179.17,"Monoisotopic Mass":179.07937252,Charge:0,"Easy Name":"Beta-D-Glucosamine","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H13N1O5"},441478:{PUBCHEM:{CID:"441478","Compound Complexity":205,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",InChI:"1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1",InChIKey:"AEMOLEFTQBMNLQ-QIUUJYRFSA-N","Log P":-2.3,"Exact Mass":194.04265266,"Molecular Formula":"C6H10O7","Molecular Weight":194.14,"Monoisotopic Mass":194.04265266,Charge:0,"Easy Name":" (2S, 3S, 4S, 5R, 6R)-3, 4, 5, 6-tetrahydroxyoxane-2-carboxylic acid","Easy Category":"Uronic acid"},HSDB:{},ReducedFormula:"C6H10O7"},441481:{PUBCHEM:{CID:"441481","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2R,3R,4R,5R)-tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3R,4R,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3R,4R,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3R,4R,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3R,4R,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3R,4R,5R)-tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1",InChIKey:"SRBFZHDQGSBBOR-TXICZTDVSA-N","Log P":-2.5,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Beta-D-Ribopyranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},441541:{PUBCHEM:{CID:"441541","Compound Complexity":1840,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":13,"Rotatable Bond":7,"IUPAC Name Allowed":"2-[(1R,4S,8R,10S,13S,16S,34S)-13-[(1R,2R)-2,3-dihydroxy-1-methyl-propyl]-8,22-dihydroxy-34-[(1S)-1-methylpropyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide","IUPAC Name CAS-like Style":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide","IUPAC Name Markup":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide","IUPAC Name Preferred":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide","IUPAC Name Systematic":"2-[(1R,4S,8R,10S,13S,16S,34S)-13-[(2R,3R)-3,4-bis(oxidanyl)butan-2-yl]-34-[(2S)-butan-2-yl]-8,22-bis(oxidanyl)-2,5,11,14,27,30,33,36,39-nonakis(oxidanylidene)-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]ethanamide","IUPAC Name Traditional":"2-[(1R,4S,8R,10S,13S,16S,34S)-13-[(1R,2R)-2,3-dihydroxy-1-methyl-propyl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaketo-34-[(1S)-1-methylpropyl]-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide",InChI:"1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64?/m0/s1",InChIKey:"CIORWBWIBBPXCG-JAXJKTSHSA-N","Log P":-4.4,"Exact Mass":918.35416763,"Molecular Formula":"C39H54N10O14S","Molecular Weight":919,"Monoisotopic Mass":918.35416763,Charge:0,"Easy Name":"Alpha-Amanitin","Easy Category":"Peptide"},HSDB:{"Color And Form":{Value:"NEEDLES FROM METHANOL"},"Melting Point":{Value:"254-255 °C"}},ReducedFormula:"C39H54N10O14S1"},441612:{PUBCHEM:{CID:"441612","Compound Complexity":801,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":25,"IUPAC Name Allowed":"(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-13-hydroxy-tridecyl]-2-methyl-2H-furan-5-one","IUPAC Name CAS-like Style":"(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]-2-oxolanyl]-2-oxolanyl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one","IUPAC Name Markup":"(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one","IUPAC Name Preferred":"(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one","IUPAC Name Systematic":"(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-bis(oxidanyl)undecyl]oxolan-2-yl]oxolan-2-yl]-13-oxidanyl-tridecyl]-2-methyl-2H-furan-5-one","IUPAC Name Traditional":"(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-13-hydroxy-tridecyl]-2-methyl-2H-furan-5-one",InChI:"1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1",InChIKey:"DAEFUOXKPZLQMM-AUDZWCKFSA-N","Log P":9.5,"Exact Mass":622.48085447,"Molecular Formula":"C37H66O7","Molecular Weight":622.9,"Monoisotopic Mass":622.48085447,Charge:0,"Easy Name":"Annonin I","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C37H66O7"},441645:{PUBCHEM:{CID:"441645","Compound Complexity":872,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":27,"IUPAC Name Allowed":"[(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]undecyl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]-2-oxolanyl]-2-oxolanyl]undecyl] ester","IUPAC Name Markup":"[(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]oxolan-2-yl]undecyl] acetate","IUPAC Name Preferred":"[(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]oxolan-2-yl]undecyl] acetate","IUPAC Name Systematic":"[(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-13-[(2S)-2-methyl-5-oxidanylidene-2H-furan-4-yl]-1-oxidanyl-tridecyl]oxolan-2-yl]oxolan-2-yl]undecyl] ethanoate","IUPAC Name Traditional":"Acetic acid [(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(2S)-5-keto-2-methyl-2H-furan-4-yl]tridecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]undecyl] ester",InChI:"1S/C39H68O7/c1-4-5-6-7-8-15-18-21-24-35(44-31(3)40)36-27-28-38(46-36)37-26-25-34(45-37)33(41)23-20-17-14-12-10-9-11-13-16-19-22-32-29-30(2)43-39(32)42/h29-30,33-38,41H,4-28H2,1-3H3/t30-,33+,34+,35-,36+,37+,38+/m0/s1",InChIKey:"JQOYPOSGHDJFLI-AVNCTIOFSA-N","Log P":11.8,"Exact Mass":648.49650453,"Molecular Formula":"C39H68O7","Molecular Weight":649,"Monoisotopic Mass":648.49650453,Charge:0,"Easy Name":" (+)-Uvaricin","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C39H68O7"},441648:{PUBCHEM:{CID:"441648","Compound Complexity":356,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(4-hydroxyphenyl)chromenylium-3,5,6,7-tetrol","IUPAC Name CAS-like Style":"2-(4-hydroxyphenyl)-1-benzopyrylium-3,5,6,7-tetrol","IUPAC Name Markup":"2-(4-hydroxyphenyl)chromenylium-3,5,6,7-tetrol","IUPAC Name Preferred":"2-(4-hydroxyphenyl)chromenylium-3,5,6,7-tetrol","IUPAC Name Systematic":"2-(4-hydroxyphenyl)chromenylium-3,5,6,7-tetrol","IUPAC Name Traditional":"2-(4-hydroxyphenyl)-1-benzopyrylium-3,5,6,7-tetrol",InChI:"1S/C15H10O6/c16-8-3-1-7(2-4-8)15-11(18)5-9-12(21-15)6-10(17)14(20)13(9)19/h1-6H,(H4-,16,17,18,19,20)/p+1",InChIKey:"VGONRPRFJVEJKB-UHFFFAOYSA-O","Exact Mass":287.05556307,"Molecular Formula":"C15H11O6+","Molecular Weight":287.24,"Monoisotopic Mass":287.05556307,Charge:1,"Easy Name":"Aurantinidin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"+1C15H11O6"},441701:{PUBCHEM:{CID:"441701","Compound Complexity":336,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)chromenylium-5,7-diol","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-1-benzopyrylium-5,7-diol","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)chromenylium-5,7-diol","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)chromenylium-5,7-diol","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]chromenylium-5,7-diol","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-1-benzopyrylium-5,7-diol",InChI:"1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)/p+1",InChIKey:"GDNIGMNXEKGFIP-UHFFFAOYSA-O","Exact Mass":271.06064845,"Molecular Formula":"C15H11O5+","Molecular Weight":271.24,"Monoisotopic Mass":271.06064845,Charge:1,"Easy Name":"Luteolinidin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"+1C15H11O5"},441773:{PUBCHEM:{CID:"441773","Compound Complexity":378,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"2-(4-hydroxy-3-methoxy-phenyl)chromenylium-3,5,7-triol","IUPAC Name CAS-like Style":"2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium-3,5,7-triol","IUPAC Name Markup":"2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol","IUPAC Name Preferred":"2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol","IUPAC Name Systematic":"2-(3-methoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol","IUPAC Name Traditional":"2-(4-hydroxy-3-methoxy-phenyl)-1-benzopyrylium-3,5,7-triol",InChI:"1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1",InChIKey:"XFDQJKDGGOEYPI-UHFFFAOYSA-O","Exact Mass":301.07121314,"Molecular Formula":"C16H13O6+","Molecular Weight":301.27,"Monoisotopic Mass":301.07121314,Charge:1,"Easy Name":"Peonidin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"+1C16H13O6"},441777:{PUBCHEM:{CID:"441777","Compound Complexity":391,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromenylium-3,5-diol","IUPAC Name CAS-like Style":"2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1-benzopyrylium-3,5-diol","IUPAC Name Markup":"2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromenylium-3,5-diol","IUPAC Name Preferred":"2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromenylium-3,5-diol","IUPAC Name Systematic":"7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)chromenylium-3,5-diol","IUPAC Name Traditional":"2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-1-benzopyrylium-3,5-diol",InChI:"1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1",InChIKey:"GNONHFYAESLOCB-UHFFFAOYSA-O","Exact Mass":315.0868632,"Molecular Formula":"C17H15O6+","Molecular Weight":315.3,"Monoisotopic Mass":315.0868632,Charge:1,"Easy Name":"Rosinidin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"+1C17H15O6"},441818:{PUBCHEM:{CID:"441818","Compound Complexity":1090,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(1R)-1,4,5-trihydroxy-1,5-dimethyl-2-oxo-hexyl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name CAS-like Style":"(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Markup":"(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Preferred":"(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Systematic":"(2S,8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methyl-2,5,6-tris(oxidanyl)-3-oxidanylidene-heptan-2-yl]-2,16-bis(oxidanyl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Traditional":"(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(1R)-1,4,5-trihydroxy-2-keto-1,5-dimethyl-hexyl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone",InChI:"1S/C30H46O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16-20,23,31-33,37-38H,10-14H2,1-8H3/t16-,17+,18-,19+,20?,23+,27+,28-,29+,30+/m1/s1",InChIKey:"ABNDMUIXCBUBLO-REQJDAJISA-N","Log P":1.1,"Exact Mass":534.31926844,"Molecular Formula":"C30H46O8","Molecular Weight":534.7,"Monoisotopic Mass":534.31926844,Charge:0,"Easy Name":"Cucurbitacin H","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H46O8"},441852:{PUBCHEM:{CID:"441852","Compound Complexity":1050,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":5,"Rotatable Bond":4,"IUPAC Name Allowed":"(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","IUPAC Name CAS-like Style":"(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde","IUPAC Name Markup":"(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","IUPAC Name Preferred":"(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","IUPAC Name Systematic":"(3S,5S,8R,9S,10S,13R,14S,17R)-13-methyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","IUPAC Name Traditional":"(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",InChI:"1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1",InChIKey:"HULMNSIAKWANQO-JQKSAQOKSA-N","Log P":-.7,"Exact Mass":550.27779755,"Molecular Formula":"C29H42O10","Molecular Weight":550.6,"Monoisotopic Mass":550.27779755,Charge:0,"Easy Name":"Convallatoxin","Easy Category":"Glycoside"},HSDB:{"Color And Form":{Value:"Prisms from methanol + ether"},"Melting Point":{Value:"235-242 °C"},Solubility:{Value:"Slightly soluble in water"},Uses:{Value:"MEDICATION"}},ReducedFormula:"C29H42O10"},441905:{PUBCHEM:{CID:"441905","Compound Complexity":1460,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":9,"Rotatable Bond":7,"IUPAC Name Allowed":"(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2S,3R,4S,5S,6R)-2-[[(2S,3R,4S,5R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Markup":"(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Preferred":"(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Systematic":"(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-4,5-bis(oxidanyl)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,5S)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-9,14-bis(oxidanyl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Traditional":"(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1",InChIKey:"FVFSMBDVZVUETN-BQAOMNQWSA-N","Log P":1.3,"Exact Mass":784.46090687,"Molecular Formula":"C41H68O14","Molecular Weight":785,"Monoisotopic Mass":784.46090687,Charge:0,"Easy Name":"Astragaloside III","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C41H68O14"},442072:{PUBCHEM:{CID:"442072","Compound Complexity":461,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name CAS-like Style":"(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Markup":"(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Preferred":"(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Systematic":"(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Traditional":"(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",InChI:"1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1",InChIKey:"GENAHGKEFJLNJB-QMTHXVAHSA-N","Log P":1.6,"Exact Mass":267.13716218,"Molecular Formula":"C16H17N3O","Molecular Weight":267.33,"Monoisotopic Mass":267.13716218,Charge:0,"Easy Name":"Ergine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C16H17N3O1"},442128:{PUBCHEM:{CID:"442128","Compound Complexity":666,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"[(9R,10R)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate","IUPAC Name CAS-like Style":"3-methylbutanoic acid [(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-9-yl] ester","IUPAC Name Markup":"[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate","IUPAC Name Preferred":"[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate","IUPAC Name Systematic":"[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate","IUPAC Name Traditional":"3-methylbutyric acid [(9R,10R)-10-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-9-yl] ester",InChI:"1S/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3/t19-,20-/m1/s1",InChIKey:"ALKTVPFKDYZFGA-WOJBJXKFSA-N","Log P":3.2,"Exact Mass":388.15220311,"Molecular Formula":"C21H24O7","Molecular Weight":388.4,"Monoisotopic Mass":388.15220311,Charge:0,"Easy Name":" (9R, 10R)-10-Acetoxy-8, 8-dimethyl-2-oxo-9, 10-dihydro-2H, 8H-pyrano[2, 3-f]chromen-9-yl 3-methylbutanoate","Easy Category":"Coumarins"},HSDB:{},ReducedFormula:"C21H24O7"},442151:{PUBCHEM:{CID:"442151","Compound Complexity":668,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"[(9R,10R)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2R)-2-methylbutanoate","IUPAC Name CAS-like Style":"(2R)-2-methylbutanoic acid [(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-9-yl] ester","IUPAC Name Markup":"[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2R)-2-methylbutanoate","IUPAC Name Preferred":"[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2R)-2-methylbutanoate","IUPAC Name Systematic":"[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2R)-2-methylbutanoate","IUPAC Name Traditional":"(2R)-2-methylbutyric acid [(9R,10R)-10-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-9-yl] ester",InChI:"1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1",InChIKey:"GVBNSPFBYXGREE-CXWAGAITSA-N","Log P":3.4,"Exact Mass":388.15220311,"Molecular Formula":"C21H24O7","Molecular Weight":388.4,"Monoisotopic Mass":388.15220311,Charge:0,"Easy Name":"Visnadine","Easy Category":"Coumarins"},HSDB:{},ReducedFormula:"C21H24O7"},442428:{PUBCHEM:{CID:"442428","Compound Complexity":884,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":8,"Rotatable Bond":6,"IUPAC Name Allowed":"(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one","IUPAC Name CAS-like Style":"(2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"(2S)-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one",InChI:"1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",InChIKey:"DFPMSGMNTNDNHN-ZPHOTFPESA-N","Log P":-.5,"Exact Mass":580.17920571,"Molecular Formula":"C27H32O14","Molecular Weight":580.5,"Monoisotopic Mass":580.17920571,Charge:0,"Easy Name":"Naringin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C27H32O14"},442495:{PUBCHEM:{CID:"442495","Compound Complexity":197,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(5R)-2-isopropylidene-5-methyl-cyclohexanone","IUPAC Name CAS-like Style":"(5R)-5-methyl-2-propan-2-ylidene-1-cyclohexanone","IUPAC Name Markup":"(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one","IUPAC Name Preferred":"(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one","IUPAC Name Systematic":"(5R)-5-methyl-2-propan-2-ylidene-cyclohexan-1-one","IUPAC Name Traditional":"(5R)-2-isopropylidene-5-methyl-cyclohexanone",InChI:"1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",InChIKey:"NZGWDASTMWDZIW-MRVPVSSYSA-N","Log P":2.8,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":"Pulegone","Easy Category":"Terpenoid"},HSDB:{"Boiling Point":{Value:"224 °C"},"Color And Form":{Value:"Oil"},Density:{Value:"0.9323 at 20 °C"},Odor:{Value:"Pleasant odor, midway between peppermint and camphor"},"Refractive Index":{Value:"Index of refraction: 1.4894 at 20 °C/D"},Solubility:{Value:"In water, 276 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"0.123 mm Hg at 25 °C (extrapolated)"}},ReducedFormula:"C10H16O1"},442501:{PUBCHEM:{CID:"442501","Compound Complexity":168,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol","IUPAC Name CAS-like Style":"2-[(1R)-4-methyl-1-cyclohex-3-enyl]-2-propanol","IUPAC Name Markup":"2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol","IUPAC Name Preferred":"2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol","IUPAC Name Systematic":"2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol","IUPAC Name Traditional":"2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol",InChI:"1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1",InChIKey:"WUOACPNHFRMFPN-VIFPVBQESA-N","Log P":1.8,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":" (+)-alpha-Terpineol","Easy Category":"Terpenoid"},HSDB:{"Boiling Point":{Value:"80-81.5 °C @ 5 mm Hg"},"Color And Form":{Value:"Liquid"},Density:{Value:"0.935 @ 20 °C/4 °C"},"Melting Point":{Value:"Solidifies @ 36.4 °C"},"Refractive Index":{Value:"Index of refraction: 1.4820 @ 20 °C/D; specific optical rotation: -100 deg @ 20 °C/D (c= 20 in alc)"},Uses:{Value:"PERFUMES; DENATURING FATS FOR SOAP MFR; ANTISEPTIC /ALPHA-TERPINEOL/"},"Vapor Pressure":{Value:"5 mm Hg @ 80 to 81 mm Hg"}},ReducedFormula:"C10H18O1"},442507:{PUBCHEM:{CID:"442507","Compound Complexity":181,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde","IUPAC Name CAS-like Style":"(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxaldehyde","IUPAC Name Markup":"(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde","IUPAC Name Preferred":"(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde","IUPAC Name Systematic":"(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde","IUPAC Name Traditional":"(7R)-7-methyl-2-pyrindan-4-carbaldehyde",InChI:"1S/C10H11NO/c1-7-2-3-9-8(6-12)4-11-5-10(7)9/h4-7H,2-3H2,1H3/t7-/m1/s1",InChIKey:"OPRAONAUWNNOOV-SSDOTTSWSA-N","Log P":1.5,"Exact Mass":161.08406398,"Molecular Formula":"C10H11NO","Molecular Weight":161.2,"Monoisotopic Mass":161.08406398,Charge:0,"Easy Name":"Boschniakine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C10H11N1O1"},442514:{PUBCHEM:{CID:"442514","Compound Complexity":444,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":0,"IUPAC Name Allowed":"(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol","IUPAC Name CAS-like Style":"(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c][1]benzopyran-3,4,6a,9,10-pentol","IUPAC Name Markup":"(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol","IUPAC Name Preferred":"(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol","IUPAC Name Systematic":"(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol","IUPAC Name Traditional":"(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol",InChI:"1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1",InChIKey:"WZUVPPKBWHMQCE-XJKSGUPXSA-N","Log P":1.2,"Exact Mass":302.07903817,"Molecular Formula":"C16H14O6","Molecular Weight":302.28,"Monoisotopic Mass":302.07903817,Charge:0,"Easy Name":"Haematoxylin","Easy Category":"Phenols"},HSDB:{Uses:{Value:"BIOLOGICAL STAIN IN MICROSCOPY, EG, HISTOLOGY; MFR OF INKS"}},ReducedFormula:"C16H14O6"},442530:{PUBCHEM:{CID:"442530","Compound Complexity":608,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoic acid","IUPAC Name CAS-like Style":"(2S)-2-[[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]-oxomethyl]amino]-3-phenylpropanoic acid","IUPAC Name Markup":"(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid","IUPAC Name Preferred":"(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid","IUPAC Name Systematic":"(2S)-2-[[(3R)-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid","IUPAC Name Traditional":"(2S)-2-[[(3R)-5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl]amino]-3-phenyl-propionic acid",InChI:"1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1",InChIKey:"RWQKHEORZBHNRI-BMIGLBTASA-N","Log P":4.7,"Exact Mass":403.082265,"Molecular Formula":"C20H18ClNO6","Molecular Weight":403.8,"Monoisotopic Mass":403.082265,Charge:0,"Easy Name":"Ochratoxin A","Easy Category":"Lactone"},HSDB:{"Color And Form":{Value:"Crystals from xylene ... exhibits green fluorescence"},"Melting Point":{Value:"169 °C ... Also frequently reported as 90 °C from benzene (one mole of benzene of crystallization)"},Solubility:{Value:"In water, 0.4246 mg/L at 25 °C (est)"},Uses:{Value:"Experimentally as teratogen and carcinogen /Ochratoxins/"},"Vapor Pressure":{Value:"3.11X10-14 mm Hg at 25 °C (est)"}},ReducedFormula:"C20Cl1H18N1O6"},442793:{PUBCHEM:{CID:"442793","Compound Complexity":293,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)decan-3-one","IUPAC Name CAS-like Style":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone","IUPAC Name Markup":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one","IUPAC Name Preferred":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one","IUPAC Name Systematic":"(5S)-1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-decan-3-one","IUPAC Name Traditional":"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)decan-3-one",InChI:"1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1",InChIKey:"NLDDIKRKFXEWBK-AWEZNQCLSA-N","Log P":2.5,"Exact Mass":294.18310932,"Molecular Formula":"C17H26O4","Molecular Weight":294.4,"Monoisotopic Mass":294.18310932,Charge:0,"Easy Name":" (+)-[6]-Gingerol","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C17H26O4"},442813:{PUBCHEM:{CID:"442813","Compound Complexity":659,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":4,"Rotatable Bond":5,"IUPAC Name Allowed":"3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"3-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one","IUPAC Name Traditional":"3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",InChIKey:"MGJLSBDCWOSMHL-MIUGBVLSSA-N","Log P":1,"Exact Mass":430.12638229,"Molecular Formula":"C22H22O9","Molecular Weight":430.4,"Monoisotopic Mass":430.12638229,Charge:0,"Easy Name":"Ononin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C22H22O9"},442827:{PUBCHEM:{CID:"442827","Compound Complexity":679,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol","IUPAC Name Markup":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol","IUPAC Name Traditional":"(2R,3S,4S,5R,6S)-2-methylol-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]tetrahydropyran-3,4,5-triol",InChI:"1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1",InChIKey:"VGSYCWGXBYZLLE-QEEQPWONSA-N","Log P":.6,"Exact Mass":446.12129691,"Molecular Formula":"C22H22O10","Molecular Weight":446.4,"Monoisotopic Mass":446.12129691,Charge:0,"Easy Name":"Trifolirhizin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C22H22O10"},442908:{PUBCHEM:{CID:"442908","Compound Complexity":547,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"(4R,6R)-6-allyl-6-[(1S,2R)-2-hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl]-4-methoxy-cyclohex-2-en-1-one","IUPAC Name CAS-like Style":"(4R,6R)-6-[(1R,2S)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-4-methoxy-6-prop-2-enyl-1-cyclohex-2-enone","IUPAC Name Markup":"(4R,6R)-6-[(1R,2S)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-4-methoxy-6-prop-2-enylcyclohex-2-en-1-one","IUPAC Name Preferred":"(4R,6R)-6-[(1R,2S)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-4-methoxy-6-prop-2-enylcyclohex-2-en-1-one","IUPAC Name Systematic":"(4R,6R)-4-methoxy-6-[(1R,2S)-1-oxidanyl-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-6-prop-2-enyl-cyclohex-2-en-1-one","IUPAC Name Traditional":"(4R,6R)-6-allyl-6-[(1S,2R)-2-hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl]-4-methoxy-cyclohex-2-en-1-one",InChI:"1S/C22H30O6/c1-7-10-22(13-16(25-3)8-9-19(22)23)14(2)20(24)15-11-17(26-4)21(28-6)18(12-15)27-5/h7-9,11-12,14,16,20,24H,1,10,13H2,2-6H3/t14-,16+,20-,22-/m1/s1",InChIKey:"JCRROBQLLRCCAV-SQKDIAQBSA-N","Log P":2.8,"Exact Mass":390.20423868,"Molecular Formula":"C22H30O6","Molecular Weight":390.5,"Monoisotopic Mass":390.20423868,Charge:0,"Easy Name":"Megaphone","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C22H30O6"},443021:{PUBCHEM:{CID:"443021","Compound Complexity":743,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"[(9R,13R,14R)-3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-14-yl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(9R,13R,14R)-3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-14-yl] ester","IUPAC Name Markup":"[(9R,13R,14R)-3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-14-yl] acetate","IUPAC Name Preferred":"[(9R,13R,14R)-3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-14-yl] acetate","IUPAC Name Systematic":"[(9R,13R,14R)-3,4,5-trimethoxy-10-oxidanylidene-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-14-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(9R,13R,14R)-10-keto-3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-14-yl] ester",InChI:"1S/C24H24O9/c1-11(25)33-21-14-8-18-17(31-10-32-18)7-13(14)20-12(5-15-16(21)9-30-24(15)26)6-19(27-2)22(28-3)23(20)29-4/h6-8,15-16,21H,5,9-10H2,1-4H3/t15-,16+,21+/m1/s1",InChIKey:"XJTXBUKLGQCZHC-XFQAVAEZSA-N","Log P":2.9,"Exact Mass":456.14203235,"Molecular Formula":"C24H24O9","Molecular Weight":456.4,"Monoisotopic Mass":456.14203235,Charge:0,"Easy Name":" (-)-Steganacin","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C24H24O9"},443023:{PUBCHEM:{CID:"443023","Compound Complexity":485,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenol","IUPAC Name CAS-like Style":"4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol","IUPAC Name Markup":"4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol","IUPAC Name Preferred":"4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol","IUPAC Name Systematic":"4-[(3S,3aR,6S,6aR)-6-(3,5-dimethoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenol","IUPAC Name Traditional":"4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenol",InChI:"1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",InChIKey:"KOWMJRJXZMEZLD-HCIHMXRSSA-N","Log P":2.2,"Exact Mass":418.1627678,"Molecular Formula":"C22H26O8","Molecular Weight":418.4,"Monoisotopic Mass":418.1627678,Charge:0,"Easy Name":" (+)-Syringaresinol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C22H26O8"},443159:{PUBCHEM:{CID:"443159","Compound Complexity":149,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,5S)-2-isopropyl-5-methyl-cyclohexanone","IUPAC Name CAS-like Style":"(2R,5S)-5-methyl-2-propan-2-yl-1-cyclohexanone","IUPAC Name Markup":"(2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one","IUPAC Name Preferred":"(2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one","IUPAC Name Systematic":"(2R,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-one","IUPAC Name Traditional":"(2R,5S)-2-isopropyl-5-methyl-cyclohexanone",InChI:"1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1",InChIKey:"NFLGAXVYCFJBMK-DTWKUNHWSA-N","Log P":2.7,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":" (+)-Menthone","Easy Category":"Terpenoid"},HSDB:{"Boiling Point":{Value:"210 °C"},"Color And Form":{Value:"Colorless, oily, mobile liq"},Odor:{Value:"Slight peppermint odor"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4480-1.4520 @ 20 °C; SPECIFIC OPTICAL ROTATION: + OR - 2 DEG /DL-FORM/"},Solubility:{Value:"Sol in alc, fixed oils; very slightly sol in water."},Taste:{Value:"Bitter"},Uses:{Value:"In perfume & flavor compositions /L-form/"}},ReducedFormula:"C10H18O1"},443162:{PUBCHEM:{CID:"443162","Compound Complexity":168,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol","IUPAC Name CAS-like Style":"2-[(1S)-4-methyl-1-cyclohex-3-enyl]-2-propanol","IUPAC Name Markup":"2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol","IUPAC Name Preferred":"2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol","IUPAC Name Systematic":"2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol","IUPAC Name Traditional":"2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol",InChI:"1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1",InChIKey:"WUOACPNHFRMFPN-SECBINFHSA-N","Log P":1.8,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":" (-)-alpha-Terpineol","Easy Category":"Terpenoid"},HSDB:{"Boiling Point":{Value:"80-81.5 °C @ 5 mm Hg"},"Color And Form":{Value:"Liquid"},Density:{Value:"0.935 @ 20 °C/4 °C"},"Melting Point":{Value:"Solidifies @ 36.4 °C"},"Refractive Index":{Value:"Index of refraction: 1.4820 @ 20 °C/D; specific optical rotation: -100 deg @ 20 °C/D (c= 20 in alc)"},Uses:{Value:"PERFUMES; DENATURING FATS FOR SOAP MFR; ANTISEPTIC /ALPHA-TERPINEOL/"},"Vapor Pressure":{Value:"5 mm Hg @ 80 to 81 mm Hg"}},ReducedFormula:"C10H18O1"},443229:{PUBCHEM:{CID:"443229","Compound Complexity":552,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluoro-phenyl]propanoic acid","IUPAC Name CAS-like Style":"2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid","IUPAC Name Markup":"2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid","IUPAC Name Preferred":"2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid","IUPAC Name Systematic":"3-[5-[4-[bis(fluoranyl)methyl]-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]-2-chloranyl-4-fluoranyl-phenyl]-2-chloranyl-propanoic acid","IUPAC Name Traditional":"2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]-4-fluoro-phenyl]propionic acid",InChI:"1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)",InChIKey:"YHKBGVDUSSWOAB-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":383.0051311,"Molecular Formula":"C13H10Cl2F3N3O3","Molecular Weight":384.13,"Monoisotopic Mass":383.0051311,Charge:0,"Easy Name":"Carfentrazone","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C13Cl2F3H10N3O3"},443495:{PUBCHEM:{CID:"443495","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;oxoarsinite","IUPAC Name CAS-like Style":"Sodium;oxoarsinite","IUPAC Name Markup":"Sodium;oxoarsinite","IUPAC Name Preferred":"Sodium;oxoarsinite","IUPAC Name Systematic":"Sodium;oxoarsinite","IUPAC Name Traditional":"Sodium;oxoarsinite",InChI:"1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",InChIKey:"PTLRDCMBXHILCL-UHFFFAOYSA-M","Exact Mass":129.901193,"Molecular Formula":"AsNaO2","Molecular Weight":129.91,"Monoisotopic Mass":129.901193,Charge:0,"Easy Name":"Sodium meta-arsenite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White or grayish-white powder"},Density:{Value:"1.87"},Solubility:{Value:"Freely sol in water; slightly sol in alcohol"},Taste:{Value:"SALTY TASTE"},Uses:{Value:"For Sodium Arsenite (USEPA/OPP Pesticide Code: 013603) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"As1Na1O2"},443869:{PUBCHEM:{CID:"443869","Compound Complexity":917,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"O5-[(3S)-1-benzylpyrrolidin-3-yl] O3-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name CAS-like Style":"(4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl] ester","IUPAC Name Markup":"5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Preferred":"5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Systematic":"O3-methyl O5-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl] (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Traditional":"(4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[(3S)-1-benzylpyrrolidin-3-yl] ester O3-methyl ester",InChI:"1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3/t22-,25-/m0/s1",InChIKey:"VXMOONUMYLCFJD-DHLKQENFSA-N","Log P":4.2,"Exact Mass":491.20563567,"Molecular Formula":"C27H29N3O6","Molecular Weight":491.5,"Monoisotopic Mass":491.20563567,Charge:0,"Easy Name":"Barnidipine","Easy Category":"Calcium channel blockers"},HSDB:{},ReducedFormula:"C27H29N3O6"},443884:{PUBCHEM:{CID:"443884","Compound Complexity":535,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(6aR,9R)-N-[(1S)-2-hydroxy-1-methyl-ethyl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name CAS-like Style":"(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Markup":"(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Preferred":"(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Systematic":"(6aR,9R)-7-methyl-N-[(2S)-1-oxidanylpropan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","IUPAC Name Traditional":"(6aR,9R)-N-[(1S)-2-hydroxy-1-methyl-ethyl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",InChI:"1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1",InChIKey:"WVVSZNPYNCNODU-XTQGRXLLSA-N","Log P":1.8,"Exact Mass":325.17902699,"Molecular Formula":"C19H23N3O2","Molecular Weight":325.4,"Monoisotopic Mass":325.17902699,Charge:0,"Easy Name":"Ergometrine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Plates or needles"},"Melting Point":{Value:"162 °C"},Solubility:{Value:"Freely soluble in lower alcohols, ethyl acetate, acetone; more soluble in water than other principal alkaloids of ergot; slightly soluble in chloroform"},Uses:{Value:"MEDICATION"},"Vapor Pressure":{Value:"2.31X10-13 mm Hg at 25 °C (est)"}},ReducedFormula:"C19H23N3O2"},444041:{PUBCHEM:{CID:"444041","Compound Complexity":1480,"Hydrogen Bond Acceptor":35,"Hydrogen Bond Donor":21,"Rotatable Bond":7,"IUPAC Name Allowed":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol","IUPAC Name CAS-like Style":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol","IUPAC Name Markup":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol","IUPAC Name Preferred":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol","IUPAC Name Systematic":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol","IUPAC Name Traditional":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptamethylol-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol",InChI:"1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1",InChIKey:"WHGYBXFWUBPSRW-FOUAGVGXSA-N","Log P":-15,"Exact Mass":1134.36976394,"Molecular Formula":"C42H70O35","Molecular Weight":1135,"Monoisotopic Mass":1134.36976394,Charge:0,"Easy Name":"Β-Cyclodextrin","Easy Category":"Carbohydrate"},HSDB:{},ReducedFormula:"C42H70O35"},444125:{PUBCHEM:{CID:"444125","Compound Complexity":1600,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":4,"Rotatable Bond":8,"IUPAC Name Allowed":"Ferrous;3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-7,12-bis[(1S)-1-sulfanylethyl]porphyrin-21,23-diid-2-yl]propanoic acid","IUPAC Name CAS-like Style":"3-[18-(2-carboxyethyl)-7,12-bis[(1S)-1-mercaptoethyl]-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid;iron(2+)","IUPAC Name Markup":"3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-7,12-bis[(1S)-1-sulfanylethyl]porphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)","IUPAC Name Preferred":"3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-7,12-bis[(1S)-1-sulfanylethyl]porphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)","IUPAC Name Systematic":"3-[18-(3-hydroxy-3-oxopropyl)-3,8,13,17-tetramethyl-7,12-bis[(1S)-1-sulfanylethyl]porphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)","IUPAC Name Traditional":"Ferrous;3-[18-(2-carboxyethyl)-7,12-bis[(1S)-1-mercaptoethyl]-3,8,13,17-tetramethyl-porphine-21,23-diid-2-yl]propionic acid",InChI:"1S/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/t19-,20-;/m0./s1",InChIKey:"XSWPXBWSKQRBRZ-FKLPMGAJSA-L","Exact Mass":684.152734,"Molecular Formula":"C34H36FeN4O4S2","Molecular Weight":684.7,"Monoisotopic Mass":684.152734,Charge:0,"Easy Name":"Heme C","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"C34Fe1H36N4O4S2"},444200:{PUBCHEM:{CID:"444200","Compound Complexity":139,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2S,3R,4S,5R,6R)-6-methyltetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3R,4S,5R,6R)-6-methyltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1",InChIKey:"SHZGCJCMOBCMKK-PHYPRBDBSA-N","Log P":-2.1,"Exact Mass":164.06847348,"Molecular Formula":"C6H12O5","Molecular Weight":164.16,"Monoisotopic Mass":164.06847348,Charge:0,"Easy Name":"Α-D-fucopyranose","Easy Category":"Monosaccharide"},HSDB:{},ReducedFormula:"C6H12O5"},444212:{PUBCHEM:{CID:"444212","Compound Complexity":251,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(E)-prop-1-ene-1,2,3-tricarboxylic acid","IUPAC Name CAS-like Style":"(E)-1-propene-1,2,3-tricarboxylic acid","IUPAC Name Markup":"(E)-prop-1-ene-1,2,3-tricarboxylic acid","IUPAC Name Preferred":"(E)-prop-1-ene-1,2,3-tricarboxylic acid","IUPAC Name Systematic":"(E)-prop-1-ene-1,2,3-tricarboxylic acid","IUPAC Name Traditional":"(E)-prop-1-ene-1,2,3-tricarboxylic acid",InChI:"1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+",InChIKey:"GTZCVFVGUGFEME-HNQUOIGGSA-N","Log P":-1,"Exact Mass":174.01643791,"Molecular Formula":"C6H6O6","Molecular Weight":174.11,"Monoisotopic Mass":174.01643791,Charge:0,"Easy Name":"Trans-Aconitic acid","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"LEAFLETS & PLATES FROM WATER"},"Melting Point":{Value:"194-195 °C (WITH DECOMP)"},Solubility:{Value:"1 G DISSOLVES IN 5.5 ML WATER @ 13 °C, 2 ML @ 25 °C; SOL IN 2 PARTS 88% ALCOHOL @ 12 °C; SLIGHTLY SOL IN ETHER"},Uses:{Value:"MFR ITACONIC ACID; AS PLASTICIZER FOR BUNA RUBBER & PLASTICS; USED AS TRIETHYL OR TRIBUTYL ESTER"}},ReducedFormula:"C6H6O6"},444266:{PUBCHEM:{CID:"444266","Compound Complexity":119,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Maleic acid","IUPAC Name CAS-like Style":"(Z)-2-butenedioic acid","IUPAC Name Markup":"(Z)-but-2-enedioic acid","IUPAC Name Preferred":"(Z)-but-2-enedioic acid","IUPAC Name Systematic":"(Z)-but-2-enedioic acid","IUPAC Name Traditional":"Maleic acid",InChI:"1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-",InChIKey:"VZCYOOQTPOCHFL-UPHRSURJSA-N","Log P":-.3,"Exact Mass":116.010958607,"Molecular Formula":"C4H4O4","Molecular Weight":116.07,"Monoisotopic Mass":116.010958607,Charge:0,"Easy Name":"Maleic acid","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"Monoclinic prisms from water"},Density:{Value:"1.590 g/cu cm at 20 °C"},"Melting Point":{Value:"132.5 °C (OECD Guideline 102 (Melting point / Melting Range))"},Odor:{Value:"Faint acidulous odor"},Solubility:{Value:"In water, 788 g/L at 25 °C, 3926 g/L at 97.5 °C"},Taste:{Value:"Characteristic repulsive, astringent taste"},Uses:{Value:"Manufacture of artificial resins; to retard rancidity of fats and oils in 1:10,000 (these are said to keep 3 times longer than those without the acid); dyeing and finishing wool, cotton, and silk; preparing the maleate salts of antihistamines and similar drugs."},"Vapor Density":{Value:"4.0 (Air = 1)"},"Vapor Pressure":{Value:"1.34X10-5 mm Hg at 25 °C (OECD Guideline 104 (Vapor Pressure Curve))"}},ReducedFormula:"C4H4O4"},444305:{PUBCHEM:{CID:"444305","Compound Complexity":134,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R,3R)-2,3-dihydroxybutanedioic acid","IUPAC Name CAS-like Style":"(2R,3R)-2,3-dihydroxybutanedioic acid","IUPAC Name Markup":"(2R,3R)-2,3-dihydroxybutanedioic acid","IUPAC Name Preferred":"(2R,3R)-2,3-dihydroxybutanedioic acid","IUPAC Name Systematic":"(2R,3R)-2,3-bis(oxidanyl)butanedioic acid","IUPAC Name Traditional":"(2R,3R)-2,3-dihydroxysuccinic acid",InChI:"1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1",InChIKey:"FEWJPZIEWOKRBE-JCYAYHJZSA-N","Log P":-1.9,"Exact Mass":150.01643791,"Molecular Formula":"C4H6O6","Molecular Weight":150.09,"Monoisotopic Mass":150.01643791,Charge:0,"Easy Name":"Dextrotartaric acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C4H6O6"},444344:{PUBCHEM:{CID:"444344","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2R,3S,4R,5S)-tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3S,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3S,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3S,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3S,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3S,4R,5S)-tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m0/s1",InChIKey:"SRBFZHDQGSBBOR-SKNVOMKLSA-N","Log P":-2.5,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-L-Xylopyranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},444493:{PUBCHEM:{CID:"444493","Compound Complexity":1380,"Hydrogen Bond Acceptor":22,"Hydrogen Bond Donor":9,"Rotatable Bond":20,"IUPAC Name Allowed":"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ethanethioate","IUPAC Name CAS-like Style":"Ethanethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester","IUPAC Name Markup":"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate","IUPAC Name Preferred":"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate","IUPAC Name Systematic":"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] ethanethioate","IUPAC Name Traditional":"Ethanethioic acid S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ester",InChI:"1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1",InChIKey:"ZSLZBFCDCINBPY-ZSJPKINUSA-N","Log P":-5.6,"Exact Mass":809.12577496,"Molecular Formula":"C23H38N7O17P3S","Molecular Weight":809.6,"Monoisotopic Mass":809.12577496,Charge:0,"Easy Name":"Acetyl-CoA","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C23H38N7O17P3S1"},444539:{PUBCHEM:{CID:"444539","Compound Complexity":155,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-3-phenylprop-2-enoic acid","IUPAC Name CAS-like Style":"(E)-3-phenyl-2-propenoic acid","IUPAC Name Markup":"(E)-3-phenylprop-2-enoic acid","IUPAC Name Preferred":"(E)-3-phenylprop-2-enoic acid","IUPAC Name Systematic":"(E)-3-phenylprop-2-enoic acid","IUPAC Name Traditional":"(E)-3-phenylacrylic acid",InChI:"1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",InChIKey:"WBYWAXJHAXSJNI-VOTSOKGWSA-N","Log P":2.1,"Exact Mass":148.052429497,"Molecular Formula":"C9H8O2","Molecular Weight":148.16,"Monoisotopic Mass":148.052429497,Charge:0,"Easy Name":"Cinnamic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H8O2"},444791:{PUBCHEM:{CID:"444791","Compound Complexity":205,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",InChI:"1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1",InChIKey:"AEMOLEFTQBMNLQ-WAXACMCWSA-N","Log P":-2.3,"Exact Mass":194.04265266,"Molecular Formula":"C6H10O7","Molecular Weight":194.14,"Monoisotopic Mass":194.04265266,Charge:0,"Easy Name":"Α-D-Glucopyranuronic acid","Easy Category":"Uronic acid"},HSDB:{},ReducedFormula:"C6H10O7"},444809:{PUBCHEM:{CID:"444809","Compound Complexity":155,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-mercaptooxane-3,4,5-triol","IUPAC Name Markup":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol","IUPAC Name Traditional":"(2S,3R,4S,5S,6R)-2-mercapto-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1",InChIKey:"JUSMHIGDXPKSID-DVKNGEFBSA-N","Log P":-1.6,"Exact Mass":196.04054466,"Molecular Formula":"C6H12O5S","Molecular Weight":196.22,"Monoisotopic Mass":196.04054466,Charge:0,"Easy Name":"1-Thio-β-D-glucopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O5S1"},444899:{PUBCHEM:{CID:"444899","Compound Complexity":362,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":14,"IUPAC Name Allowed":"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid","IUPAC Name CAS-like Style":"(5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoic acid","IUPAC Name Markup":"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid","IUPAC Name Preferred":"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid","IUPAC Name Systematic":"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid","IUPAC Name Traditional":"(5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoic acid",InChI:"1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",InChIKey:"YZXBAPSDXZZRGB-DOFZRALJSA-N","Log P":6.3,"Exact Mass":304.24023027,"Molecular Formula":"C20H32O2","Molecular Weight":304.5,"Monoisotopic Mass":304.24023027,Charge:0,"Easy Name":"Arachidonic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C20H32O2"},444913:{PUBCHEM:{CID:"444913","Compound Complexity":1250,"Hydrogen Bond Acceptor":30,"Hydrogen Bond Donor":18,"Rotatable Bond":6,"IUPAC Name Allowed":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol","IUPAC Name CAS-like Style":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol","IUPAC Name Markup":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol","IUPAC Name Preferred":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol","IUPAC Name Systematic":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol","IUPAC Name Traditional":"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexamethylol-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol",InChI:"1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1",InChIKey:"HFHDHCJBZVLPGP-RWMJIURBSA-N","Log P":-12.9,"Exact Mass":972.31694052,"Molecular Formula":"C36H60O30","Molecular Weight":972.8,"Monoisotopic Mass":972.31694052,Charge:0,"Easy Name":"Α-cyclodextrin","Easy Category":"Carbohydrate"},HSDB:{},ReducedFormula:"C36H60O30"},444972:{PUBCHEM:{CID:"444972","Compound Complexity":119,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Fumaric acid","IUPAC Name CAS-like Style":"(E)-2-butenedioic acid","IUPAC Name Markup":"(E)-but-2-enedioic acid","IUPAC Name Preferred":"(E)-but-2-enedioic acid","IUPAC Name Systematic":"(E)-but-2-enedioic acid","IUPAC Name Traditional":"Fumaric acid",InChI:"1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",InChIKey:"VZCYOOQTPOCHFL-OWOJBTEDSA-N","Log P":-.3,"Exact Mass":116.010958607,"Molecular Formula":"C4H4O4","Molecular Weight":116.07,"Monoisotopic Mass":116.010958607,Charge:0,"Easy Name":"Fumaric acid","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"Sublimes at 200 °C"},"Color And Form":{Value:"Needles, monoclinic prisms or leaflets from water"},Density:{Value:"1.635 g/cu cm at 20 °C"},"Melting Point":{Value:"287 °C decomposes"},Odor:{Value:"Odorless"},Solubility:{Value:"Soluble in ethanol, concentrated sulfuric acid; slightly soluble in ethyl ether, acetone"},Taste:{Value:"Fruit acid"},Uses:{Value:"For fumaric acid (USEPA/OPP Pesticide Code: 051201) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.54X10-4 mm Hg at 25 °C"}},ReducedFormula:"C4H4O4"},445125:{PUBCHEM:{CID:"445125","Compound Complexity":150,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"5-[(3S)-dithiolan-3-yl]pentanoic acid","IUPAC Name CAS-like Style":"5-[(3S)-3-dithiolanyl]pentanoic acid","IUPAC Name Markup":"5-[(3S)-dithiolan-3-yl]pentanoic acid","IUPAC Name Preferred":"5-[(3S)-dithiolan-3-yl]pentanoic acid","IUPAC Name Systematic":"5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid","IUPAC Name Traditional":"5-[(3S)-dithiolan-3-yl]valeric acid",InChI:"1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1",InChIKey:"AGBQKNBQESQNJD-ZETCQYMHSA-N","Log P":1.7,"Exact Mass":206.04352204,"Molecular Formula":"C8H14O2S2","Molecular Weight":206.3,"Monoisotopic Mass":206.04352204,Charge:0,"Easy Name":"L-Thioctic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C8H14O2S2"},445354:{PUBCHEM:{CID:"445354","Compound Complexity":496,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol","IUPAC Name CAS-like Style":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol","IUPAC Name Markup":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol","IUPAC Name Preferred":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol","IUPAC Name Systematic":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol","IUPAC Name Traditional":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol",InChI:"1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",InChIKey:"FPIPGXGPPPQFEQ-OVSJKPMPSA-N","Log P":5.7,"Exact Mass":286.22966559,"Molecular Formula":"C20H30O","Molecular Weight":286.5,"Monoisotopic Mass":286.22966559,Charge:0,"Easy Name":"Retinol","Easy Category":"Antioxidant"},HSDB:{"Boiling Point":{Value:"137-138 °C at 1X10-6 mm Hg"},"Color And Form":{Value:"Solvated crystals from polar solvents, such as methanol or ethyl formate"},"Melting Point":{Value:"62-64 °C"},"Refractive Index":{Value:"Index of refraction: 1.6410 at 20 °C/D (calculated form refractive indexes of 20-70% solutions in mineral oil); max absorption: 324-325 nm (E=1,835, 1%, 1 cm)"},Solubility:{Value:"Practically insoluble in water or glycerol; soluble in absolute alcohol, methanol, chloroform, ether, fats and oils"},Uses:{Value:"Vitamin (antixerophthalmic)"},"Vapor Pressure":{Value:"7.5X10-8 mm Hg at 25 °C /Estimated/"}},ReducedFormula:"C20H30O1"},445391:{PUBCHEM:{CID:"445391","Compound Complexity":48,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxiran-2-one","IUPAC Name CAS-like Style":"2-oxiranone","IUPAC Name Markup":"Oxiran-2-one","IUPAC Name Preferred":"Oxiran-2-one","IUPAC Name Systematic":"Oxiran-2-one","IUPAC Name Traditional":"Oxiran-2-one",InChI:"1S/C2H2O2/c3-2-1-4-2/h1H2",InChIKey:"HZSIFDFXFAXICF-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":58.005479304,"Molecular Formula":"C2H2O2","Molecular Weight":58.04,"Monoisotopic Mass":58.005479304,Charge:0,"Easy Name":"Acetolactone","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C2H2O2"},445408:{PUBCHEM:{CID:"445408","Compound Complexity":409,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione","IUPAC Name CAS-like Style":"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione","IUPAC Name Markup":"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","IUPAC Name Preferred":"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","IUPAC Name Systematic":"1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione","IUPAC Name Traditional":"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone",InChI:"1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1",InChIKey:"DWRXFEITVBNRMK-JXOAFFINSA-N","Log P":-1.6,"Exact Mass":258.08518618,"Molecular Formula":"C10H14N2O6","Molecular Weight":258.23,"Monoisotopic Mass":258.08518618,Charge:0,"Easy Name":"5-Methyluridine","Easy Category":"Nucleoside"},HSDB:{},ReducedFormula:"C10H14N2O6"},445580:{PUBCHEM:{CID:"445580","Compound Complexity":462,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":14,"IUPAC Name Allowed":"(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid","IUPAC Name CAS-like Style":"(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid","IUPAC Name Markup":"(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid","IUPAC Name Preferred":"(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid","IUPAC Name Systematic":"(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid","IUPAC Name Traditional":"(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid",InChI:"1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",InChIKey:"MBMBGCFOFBJSGT-KUBAVDMBSA-N","Log P":6.2,"Exact Mass":328.24023027,"Molecular Formula":"C22H32O2","Molecular Weight":328.5,"Monoisotopic Mass":328.24023027,Charge:0,"Easy Name":"Docosahexaenoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C22H32O2"},445638:{PUBCHEM:{CID:"445638","Compound Complexity":209,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"(Z)-hexadec-9-enoic acid","IUPAC Name CAS-like Style":"(Z)-9-hexadecenoic acid","IUPAC Name Markup":"(Z)-hexadec-9-enoic acid","IUPAC Name Preferred":"(Z)-hexadec-9-enoic acid","IUPAC Name Systematic":"(Z)-hexadec-9-enoic acid","IUPAC Name Traditional":"Palmitoleic acid",InChI:"1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",InChIKey:"SECPZKHBENQXJG-FPLPWBNLSA-N","Log P":6.4,"Exact Mass":254.22458021,"Molecular Formula":"C16H30O2","Molecular Weight":254.41,"Monoisotopic Mass":254.22458021,Charge:0,"Easy Name":"Palmitoleic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C16H30O2"},445858:{PUBCHEM:{CID:"445858","Compound Complexity":224,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid","IUPAC Name CAS-like Style":"(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid","IUPAC Name Markup":"(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid","IUPAC Name Preferred":"(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid","IUPAC Name Systematic":"(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoic acid","IUPAC Name Traditional":"(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid",InChI:"1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",InChIKey:"KSEBMYQBYZTDHS-HWKANZROSA-N","Log P":1.5,"Exact Mass":194.0579088,"Molecular Formula":"C10H10O4","Molecular Weight":194.18,"Monoisotopic Mass":194.0579088,Charge:0,"Easy Name":"Ferulic acid","Easy Category":"Antioxidant"},HSDB:{Solubility:{Value:"In water, 5.97X10+3 mg/L at 25 °C (est)"},Uses:{Value:"Food preservative"},"Vapor Pressure":{Value:"2.69X10-6 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H10O4"},445894:{PUBCHEM:{CID:"445894","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3R,4S,5R)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1",InChIKey:"HMFHBZSHGGEWLO-AIHAYLRMSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-D-Ribofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},445916:{PUBCHEM:{CID:"445916","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2S,3S,4R,5S)-tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4R,5S)-tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m0/s1",InChIKey:"SRBFZHDQGSBBOR-QTBDOELSSA-N","Log P":-2.5,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Β-L-Xylopyranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},445929:{PUBCHEM:{CID:"445929","Compound Complexity":205,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3R,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",InChI:"1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1",InChIKey:"AEMOLEFTQBMNLQ-BKBMJHBISA-N","Log P":-2.3,"Exact Mass":194.04265266,"Molecular Formula":"C6H10O7","Molecular Weight":194.14,"Monoisotopic Mass":194.04265266,Charge:0,"Easy Name":"Α-D-Galactopyranuronic acid","Easy Category":"Uronic acid"},HSDB:{},ReducedFormula:"C6H10O7"},446284:{PUBCHEM:{CID:"446284","Compound Complexity":398,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid","IUPAC Name CAS-like Style":"(5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoic acid","IUPAC Name Markup":"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid","IUPAC Name Preferred":"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid","IUPAC Name Systematic":"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid","IUPAC Name Traditional":"(5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoic acid",InChI:"1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",InChIKey:"JAZBEHYOTPTENJ-JLNKQSITSA-N","Log P":5.6,"Exact Mass":302.22458021,"Molecular Formula":"C20H30O2","Molecular Weight":302.5,"Monoisotopic Mass":302.22458021,Charge:0,"Easy Name":"Eicosapentaenoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C20H30O2"},446611:{PUBCHEM:{CID:"446611","Compound Complexity":212,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid","IUPAC Name CAS-like Style":"(E)-3-(2,4-dihydroxyphenyl)-2-propenoic acid","IUPAC Name Markup":"(E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid","IUPAC Name Preferred":"(E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid","IUPAC Name Systematic":"(E)-3-[2,4-bis(oxidanyl)phenyl]prop-2-enoic acid","IUPAC Name Traditional":"(E)-3-(2,4-dihydroxyphenyl)acrylic acid",InChI:"1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",InChIKey:"HGEFWFBFQKWVMY-DUXPYHPUSA-N","Log P":1.2,"Exact Mass":180.042258736,"Molecular Formula":"C9H8O4","Molecular Weight":180.16,"Monoisotopic Mass":180.042258736,Charge:0,"Easy Name":"Umbellic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C9H8O4"},446925:{PUBCHEM:{CID:"446925","Compound Complexity":1050,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":16,"IUPAC Name Allowed":"(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene","IUPAC Name CAS-like Style":"(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene","IUPAC Name Markup":"(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene","IUPAC Name Preferred":"(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene","IUPAC Name Systematic":"(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene","IUPAC Name Traditional":"(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene",InChI:"1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",InChIKey:"OAIJSZIZWZSQBC-GYZMGTAESA-N","Log P":15.6,"Exact Mass":536.43820181,"Molecular Formula":"C40H56","Molecular Weight":536.9,"Monoisotopic Mass":536.43820181,Charge:0,"Easy Name":"Lycopene","Easy Category":"Carotenoid"},HSDB:{},ReducedFormula:"C40H56"},447347:{PUBCHEM:{CID:"447347","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3R,4S,5R)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1",InChIKey:"HMFHBZSHGGEWLO-TXICZTDVSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Beta-D-Ribofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},447466:{PUBCHEM:{CID:"447466","Compound Complexity":45.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(E)-but-2-enal","IUPAC Name CAS-like Style":"(E)-2-butenal","IUPAC Name Markup":"(E)-but-2-enal","IUPAC Name Preferred":"(E)-but-2-enal","IUPAC Name Systematic":"(E)-but-2-enal","IUPAC Name Traditional":"(E)-but-2-enal",InChI:"1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+",InChIKey:"MLUCVPSAIODCQM-NSCUHMNNSA-N","Log P":.5,"Exact Mass":70.041864813,"Molecular Formula":"C4H6O","Molecular Weight":70.09,"Monoisotopic Mass":70.041864813,Charge:0,"Easy Name":" (E)-but-2-enal","Easy Category":"Aldehyde"},HSDB:{"Boiling Point":{Value:"102.2 °C"},"Color And Form":{Value:"Water-white, mobile liquid"},Density:{Value:"0.853 at 20 °C/20 °C"},"Heat Of Vaporization":{Value:"123 cal/g"},"Melting Point":{Value:"-69 °C"},"NFPA Hazard Classification":{Value:"4-3-2- ̵W̵"},Odor:{Value:"Pungent, suffocating odor"},"Refractive Index":{Value:"Index of refraction: 1.4384 at 17.7 °C"},Solubility:{Value:"In water (g/100 g): 18.1 at 20 °C; 19.2 at 5 °C"},Uses:{Value:"For crotonaldehyde (USEPA/OPP Pesticide Code: 202600) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"2.41 (Air = 1)"},"Vapor Pressure":{Value:"30 mm Hg at 25 °C"}},ReducedFormula:"C4H6O1"},447765:{PUBCHEM:{CID:"447765","Compound Complexity":58.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(3S)-3-hydroxybutan-2-one","IUPAC Name CAS-like Style":"(3S)-3-hydroxy-2-butanone","IUPAC Name Markup":"(3S)-3-hydroxybutan-2-one","IUPAC Name Preferred":"(3S)-3-hydroxybutan-2-one","IUPAC Name Systematic":"(3S)-3-oxidanylbutan-2-one","IUPAC Name Traditional":"(3S)-3-hydroxybutan-2-one",InChI:"1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1",InChIKey:"ROWKJAVDOGWPAT-VKHMYHEASA-N","Log P":-.3,"Exact Mass":88.052429497,"Molecular Formula":"C4H8O2","Molecular Weight":88.11,"Monoisotopic Mass":88.052429497,Charge:0,"Easy Name":" (S)-Acetoin","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C4H8O2"},448388:{PUBCHEM:{CID:"448388","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R,4R,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3R,4R,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1",InChIKey:"WQZGKKKJIJFFOK-QZABAPFNSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Allopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},449093:{PUBCHEM:{CID:"449093","Compound Complexity":258,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name CAS-like Style":"(E)-2-methyl-4-(7H-purin-6-ylamino)-2-buten-1-ol","IUPAC Name Markup":"(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name Preferred":"(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name Systematic":"(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name Traditional":"(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol",InChI:"1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",InChIKey:"UZKQTCBAMSWPJD-FARCUNLSSA-N","Log P":.7,"Exact Mass":219.11201006,"Molecular Formula":"C10H13N5O","Molecular Weight":219.24,"Monoisotopic Mass":219.11201006,Charge:0,"Easy Name":"Trans-Zeatin","Easy Category":"Cytokinin"},HSDB:{"Color And Form":{Value:"Crystals from water"},"Melting Point":{Value:"207-208 °C"},Solubility:{Value:"In water, 2.24X10+3 mg/L at 25 °C (est)"},Uses:{Value:"Inhibition of mitochondrial function..."},"Vapor Pressure":{Value:"2.02X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H13N5O1"},449488:{PUBCHEM:{CID:"449488","Compound Complexity":24.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Imidazolidine","IUPAC Name CAS-like Style":"Imidazolidine","IUPAC Name Markup":"Imidazolidine","IUPAC Name Preferred":"Imidazolidine","IUPAC Name Systematic":"Imidazolidine","IUPAC Name Traditional":"Imidazolidine",InChI:"1S/C3H8N2/c1-2-5-3-4-1/h4-5H,1-3H2",InChIKey:"WRYCSMQKUKOKBP-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":72.068748267,"Molecular Formula":"C3H8N2","Molecular Weight":72.11,"Monoisotopic Mass":72.068748267,Charge:0,"Easy Name":"Imidazolidine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H8N2"},452705:{PUBCHEM:{CID:"452705","Compound Complexity":1460,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"5-chlorosulfonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate","IUPAC Name CAS-like Style":"5-chlorosulfonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate","IUPAC Name Markup":"5-chlorosulfonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate","IUPAC Name Preferred":"5-chlorosulfonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate","IUPAC Name Systematic":"5-chloranylsulfonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate","IUPAC Name Traditional":"5-chlorosulfonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)besylate",InChI:"1S/C31H29ClN2O6S2/c32-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-33-13-3-7-22(28(18)33)30(24)40-31-23-8-4-14-34-12-2-6-19(29(23)34)16-25(27)31/h9-10,15-17H,1-8,11-14H2",InChIKey:"MPLHNVLQVRSVEE-UHFFFAOYSA-N","Log P":3.4,"Exact Mass":624.1155567,"Molecular Formula":"C31H29ClN2O6S2","Molecular Weight":625.2,"Monoisotopic Mass":624.1155567,Charge:0,"Easy Name":"Texas Red","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C31Cl1H29N2O6S2"},456201:{PUBCHEM:{CID:"456201","Compound Complexity":735,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone","IUPAC Name CAS-like Style":"1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone","IUPAC Name Markup":"1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone","IUPAC Name Preferred":"1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone","IUPAC Name Systematic":"1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone","IUPAC Name Traditional":"1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]ethanone",InChI:"1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1",InChIKey:"XMAYWYJOQHXEEK-OZXSUGGESA-N","Log P":4.3,"Exact Mass":530.1487608,"Molecular Formula":"C26H28Cl2N4O4","Molecular Weight":531.4,"Monoisotopic Mass":530.1487608,Charge:0,"Easy Name":" (+)-Ketoconazole","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Crystals from 4-methylpentanone"},"Melting Point":{Value:"146 °C"},Solubility:{Value:"In water, 0.29 mg/L at 20 °C (est)"},Uses:{Value:"Antifungal agents"},"Vapor Pressure":{Value:"6.41X10-14 mm Hg at 25 °C (est)"}},ReducedFormula:"C26Cl2H28N4O4"},468953:{PUBCHEM:{CID:"468953","Compound Complexity":389,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"(2S,3R)-4-methylene-5-oxo-2-tridecyl-tetrahydrofuran-3-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3R)-4-methylene-5-oxo-2-tridecyl-3-oxolanecarboxylic acid","IUPAC Name Markup":"(2S,3R)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid","IUPAC Name Preferred":"(2S,3R)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid","IUPAC Name Systematic":"(2S,3R)-4-methylidene-5-oxidanylidene-2-tridecyl-oxolane-3-carboxylic acid","IUPAC Name Traditional":"(2S,3R)-5-keto-4-methylene-2-tridecyl-tetrahydrofuran-3-carboxylic acid",InChI:"1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21)/t16-,17+/m0/s1",InChIKey:"WZYZDHVPSZCEEP-DLBZAZTESA-N","Log P":6.7,"Exact Mass":324.23005951,"Molecular Formula":"C19H32O4","Molecular Weight":324.5,"Monoisotopic Mass":324.23005951,Charge:0,"Easy Name":"D-Protolichesterinic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C19H32O4"},471688:{PUBCHEM:{CID:"471688","Compound Complexity":633,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"4,7-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name CAS-like Style":"4,7-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol","IUPAC Name Markup":"4,7-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Preferred":"4,7-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Systematic":"4,7-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Traditional":"4,7-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol",InChI:"1S/C25H28O4/c1-14(2)5-7-16-11-17(26)12-22-23(16)20-13-28-24-18(8-6-15(3)4)21(27)10-9-19(24)25(20)29-22/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3",InChIKey:"KBTBQFJRGUJDBI-UHFFFAOYSA-N","Log P":6.1,"Exact Mass":392.19875938,"Molecular Formula":"C25H28O4","Molecular Weight":392.5,"Monoisotopic Mass":392.19875938,Charge:0,"Easy Name":"Erybraedin C","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C25H28O4"},471689:{PUBCHEM:{CID:"471689","Compound Complexity":678,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"7,7-dimethyl-18-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol","IUPAC Name CAS-like Style":"7,7-dimethyl-18-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]heneicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol","IUPAC Name Markup":"7,7-dimethyl-18-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol","IUPAC Name Preferred":"7,7-dimethyl-18-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol","IUPAC Name Systematic":"7,7-dimethyl-18-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol","IUPAC Name Traditional":"7,7-dimethyl-18-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]heneicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol",InChI:"1S/C25H26O4/c1-14(2)5-6-16-20(26)8-7-17-23(16)27-13-19-18-11-15-9-10-25(3,4)29-21(15)12-22(18)28-24(17)19/h5,7-12,19,24,26H,6,13H2,1-4H3",InChIKey:"ZWEQONVPSDWALR-UHFFFAOYSA-N","Log P":5.5,"Exact Mass":390.18310932,"Molecular Formula":"C25H26O4","Molecular Weight":390.5,"Monoisotopic Mass":390.18310932,Charge:0,"Easy Name":"Erybraedin D","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C25H26O4"},471690:{PUBCHEM:{CID:"471690","Compound Complexity":556,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"18-(3-methylbut-2-enyl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol","IUPAC Name CAS-like Style":"18-(3-methylbut-2-enyl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]eicosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol","IUPAC Name Markup":"18-(3-methylbut-2-enyl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol","IUPAC Name Preferred":"18-(3-methylbut-2-enyl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol","IUPAC Name Systematic":"18-(3-methylbut-2-enyl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol","IUPAC Name Traditional":"18-(3-methylbut-2-enyl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]eicosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol",InChI:"1S/C22H20O4/c1-12(2)3-4-15-18(23)6-5-14-17-11-25-20-10-19-13(7-8-24-19)9-16(20)22(17)26-21(14)15/h3,5-10,17,22-23H,4,11H2,1-2H3",InChIKey:"VAVHXRDWDOYXSV-UHFFFAOYSA-N","Log P":5,"Exact Mass":348.13615912,"Molecular Formula":"C22H20O4","Molecular Weight":348.4,"Monoisotopic Mass":348.13615912,Charge:0,"Easy Name":"Erybraedin E","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C22H20O4"},472172:{PUBCHEM:{CID:"472172","Compound Complexity":463,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione","IUPAC Name CAS-like Style":"5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione","IUPAC Name Markup":"5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","IUPAC Name Preferred":"5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","IUPAC Name Systematic":"5-ethynyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione","IUPAC Name Traditional":"5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone",InChI:"1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1",InChIKey:"CDEURGJCGCHYFH-DJLDLDEBSA-N","Log P":-1.3,"Exact Mass":252.07462149,"Molecular Formula":"C11H12N2O5","Molecular Weight":252.22,"Monoisotopic Mass":252.07462149,Charge:0,"Easy Name":"5-Ethynyl-2'-deoxyuridine","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C11H12N2O5"},493570:{PUBCHEM:{CID:"493570","Compound Complexity":680,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione","IUPAC Name CAS-like Style":"7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione","IUPAC Name Markup":"7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione","IUPAC Name Preferred":"7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione","IUPAC Name Systematic":"7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione","IUPAC Name Traditional":"7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-quinone",InChI:"1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",InChIKey:"AUNGANRZJHBGPY-SCRDCRAPSA-N","Log P":-1.5,"Exact Mass":376.13828438,"Molecular Formula":"C17H20N4O6","Molecular Weight":376.4,"Monoisotopic Mass":376.13828438,Charge:0,"Easy Name":"Riboflavin","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Fine orange-yellow needles from 2N acetic acid, alcohol, water, or pyridine ... three different crystal forms"},"Melting Point":{Value:"280 °C (decomposes)"},Odor:{Value:"Slight odor"},pH:{Value:"pH of saturated aqueous solution: about 6"},Solubility:{Value:"Soluble in sodium chloride solutions; 0.0045 g/100 mL of absolute ethanol at 27.5 °C; slightly sol in cyclohexanol, amyl acetate and benzyl alcohol, phenol; insoluble in ether, chloroform, acetone, benzene; very soluble in dilute alkalies (with decomposition)"},Taste:{Value:"Bitter"},Uses:{Value:"Medicine, nutrition, animal feed supplement, enriched flours, dietary supplement"}},ReducedFormula:"C17H20N4O6"},494901:{PUBCHEM:{CID:"494901","Compound Complexity":472,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"17-methoxy-5,7,11,20-tetraoxapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,14(19),15,17-hexaen-1-ol","IUPAC Name CAS-like Style":"17-methoxy-5,7,11,20-tetraoxapentacyclo[10.8.0.02,10.04,8.014,19]eicosa-2,4(8),9,14(19),15,17-hexaen-1-ol","IUPAC Name Markup":"17-methoxy-5,7,11,20-tetraoxapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,14(19),15,17-hexaen-1-ol","IUPAC Name Preferred":"17-methoxy-5,7,11,20-tetraoxapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,14(19),15,17-hexaen-1-ol","IUPAC Name Systematic":"17-methoxy-5,7,11,20-tetraoxapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,14(19),15,17-hexaen-1-ol","IUPAC Name Traditional":"17-methoxy-5,7,11,20-tetraoxapentacyclo[10.8.0.02,10.04,8.014,19]eicosa-2,4(8),9,14(19),15,17-hexaen-1-ol",InChI:"1S/C17H14O6/c1-19-10-3-2-9-4-16-17(18,23-12(9)5-10)11-6-14-15(21-8-20-14)7-13(11)22-16/h2-3,5-7,16,18H,4,8H2,1H3",InChIKey:"VKKCPUQNHLCNOK-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":314.07903817,"Molecular Formula":"C17H14O6","Molecular Weight":314.29,"Monoisotopic Mass":314.07903817,Charge:0,"Easy Name":"Dl-Pisatin","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C17H14O6"},498777:{PUBCHEM:{CID:"498777","Compound Complexity":10,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon monoxide;rhenium","IUPAC Name CAS-like Style":"Carbon monoxide;rhenium","IUPAC Name Markup":"Carbon monoxide;rhenium","IUPAC Name Preferred":"Carbon monoxide;rhenium","IUPAC Name Systematic":"Carbon monoxide;rhenium","IUPAC Name Traditional":"Carbon monoxide;rhenium",InChI:"1S/10CO.2Re/c10*1-2;;",InChIKey:"ZIZHEHXAMPQGEK-UHFFFAOYSA-N","Exact Mass":651.85786,"Molecular Formula":"C10O10Re2","Molecular Weight":652.51,"Monoisotopic Mass":653.86065,Charge:0,"Easy Name":"Dirhenium decacarbonyl","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C10O10Re2"},513197:{PUBCHEM:{CID:"513197","Compound Complexity":519,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one","IUPAC Name CAS-like Style":"7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-7-oxidanyl-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one",InChI:"1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3",InChIKey:"YKGCBLWILMDSAV-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":354.14672381,"Molecular Formula":"C21H22O5","Molecular Weight":354.4,"Monoisotopic Mass":354.14672381,Charge:0,"Easy Name":"Isoxanthohumol","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C21H22O5"},513472:{PUBCHEM:{CID:"513472","Compound Complexity":313,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":7,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,4S,5R,6R)-5-azanyl-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid",InChI:"1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1",InChIKey:"CERZMXAJYMMUDR-YOQZMRDMSA-N","Log P":-6,"Exact Mass":267.09541651,"Molecular Formula":"C9H17NO8","Molecular Weight":267.23,"Monoisotopic Mass":267.09541651,Charge:0,"Easy Name":"Neuraminic acid","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C9H17N1O8"},516871:{PUBCHEM:{CID:"516871","Compound Complexity":34.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;thiocyanate","IUPAC Name CAS-like Style":"Sodium;thiocyanate","IUPAC Name Markup":"Sodium;thiocyanate","IUPAC Name Preferred":"Sodium;thiocyanate","IUPAC Name Systematic":"Sodium;thiocyanate","IUPAC Name Traditional":"Sodium;thiocyanate",InChI:"1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1",InChIKey:"VGTPCRGMBIAPIM-UHFFFAOYSA-M","Exact Mass":80.96491446,"Molecular Formula":"CNNaS","Molecular Weight":81.07,"Monoisotopic Mass":80.96491446,Charge:0,"Easy Name":"Sodium thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1N1Na1S1"},516872:{PUBCHEM:{CID:"516872","Compound Complexity":34.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;thiocyanate","IUPAC Name CAS-like Style":"Potassium;thiocyanate","IUPAC Name Markup":"Potassium;thiocyanate","IUPAC Name Preferred":"Potassium;thiocyanate","IUPAC Name Systematic":"Potassium;thiocyanate","IUPAC Name Traditional":"Potassium;thiocyanate",InChI:"1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1",InChIKey:"ZNNZYHKDIALBAK-UHFFFAOYSA-M","Exact Mass":96.93885167,"Molecular Formula":"CKNS","Molecular Weight":97.18,"Monoisotopic Mass":96.93885167,Charge:0,"Easy Name":"Potassium thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1K1N1S1"},516875:{PUBCHEM:{CID:"516875","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;permanganate","IUPAC Name CAS-like Style":"Potassium;permanganate","IUPAC Name Markup":"Potassium;permanganate","IUPAC Name Preferred":"Potassium;permanganate","IUPAC Name Systematic":"Potassium;permanganate","IUPAC Name Traditional":"Potassium;permanganate",InChI:"1S/K.Mn.4O/q+1;;;;;-1",InChIKey:"VZJVWSHVAAUDKD-UHFFFAOYSA-N","Exact Mass":157.881408,"Molecular Formula":"KMnO4","Molecular Weight":158.034,"Monoisotopic Mass":157.881408,Charge:0,"Easy Name":"Potassium permanganate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Dark purple or bronze-like crystals; Almost opaque by transmitted light and of a blue metallic luster by reflected air."},Density:{Value:"2.7 g/cu cm"},"Melting Point":{Value:"Decomposes"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.59"},Solubility:{Value:"Soluble in many organic solvents; also by concentrated acids with the liberation of oxygen."},Taste:{Value:"Sweet with astringent aftertaste"},Uses:{Value:"For Potassium permanganate (USEPA/OPP Pesticide Code: 068501) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"K1Mn1O4"},516881:{PUBCHEM:{CID:"516881","Compound Complexity":61.9,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;dihydrogen arsorate","IUPAC Name CAS-like Style":"Potassium;dihydrogen arsorate","IUPAC Name Markup":"Potassium;dihydrogen arsorate","IUPAC Name Preferred":"Potassium;dihydrogen arsorate","IUPAC Name Systematic":"Potassium;dihydrogen arsorate","IUPAC Name Traditional":"Potassium;dihydrogen arsorate",InChI:"1S/AsH3O4.K/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+1/p-1",InChIKey:"GVPLVOGUVQAPNJ-UHFFFAOYSA-M","Exact Mass":179.88061,"Molecular Formula":"AsH2KO4","Molecular Weight":180.033,"Monoisotopic Mass":179.88061,Charge:0,"Easy Name":"Potassium arsenate","Easy Category":"Acid salt"},HSDB:{"Color And Form":{Value:"Colorless crystals or white, crystalline mass or powder"},Density:{Value:"2.867"},"Melting Point":{Value:"288 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.518"},Solubility:{Value:"Sol in 5.5 parts cold water. Very soluble in hot water."},Uses:{Value:"Used in textile, tanning, and paper industries; in insecticidal formulations (especially fly paper)"}},ReducedFormula:"As1H2K1O4"},516892:{PUBCHEM:{CID:"516892","Compound Complexity":33.9,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;hydrogen carbonate","IUPAC Name CAS-like Style":"Sodium;hydrogen carbonate","IUPAC Name Markup":"Sodium;hydrogen carbonate","IUPAC Name Preferred":"Sodium;hydrogen carbonate","IUPAC Name Systematic":"Sodium;hydrogen carbonate","IUPAC Name Traditional":"Sodium;bicarbonate",InChI:"1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",InChIKey:"UIIMBOGNXHQVGW-UHFFFAOYSA-M","Exact Mass":83.98233817,"Molecular Formula":"CHNaO3","Molecular Weight":84.007,"Monoisotopic Mass":83.98233817,Charge:0,"Easy Name":"Sodium bicarbonate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, monoclinic prisms"},Density:{Value:"2.20 g/cu cm"},"Melting Point":{Value:"Approximately 50 °C"},Odor:{Value:"Odorless"},pH:{Value:"Freshly prepared 0.1 molar solution at 25 °C: 8.3"},"Refractive Index":{Value:"Refractive indices: 1.380, 1.500, 1.586"},Solubility:{Value:"In water, 10.3 g/100 g water at 25 °C"},Taste:{Value:"Cooling, slightly alkaline taste"},Uses:{Value:"For sodium bicarbonate (USEPA/OPP Pesticide Code: 073505) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C1H1Na1O3"},516893:{PUBCHEM:{CID:"516893","Compound Complexity":33.9,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;hydrogen carbonate","IUPAC Name CAS-like Style":"Potassium;hydrogen carbonate","IUPAC Name Markup":"Potassium;hydrogen carbonate","IUPAC Name Preferred":"Potassium;hydrogen carbonate","IUPAC Name Systematic":"Potassium;hydrogen carbonate","IUPAC Name Traditional":"Potassium;bicarbonate",InChI:"1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",InChIKey:"TYJJADVDDVDEDZ-UHFFFAOYSA-M","Exact Mass":99.95627538,"Molecular Formula":"CHKO3","Molecular Weight":100.115,"Monoisotopic Mass":99.95627538,Charge:0,"Easy Name":"Potassium bicarbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1H1K1O3"},516896:{PUBCHEM:{CID:"516896","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;periodate","IUPAC Name CAS-like Style":"Potassium;periodate","IUPAC Name Markup":"Potassium;periodate","IUPAC Name Preferred":"Potassium;periodate","IUPAC Name Systematic":"Potassium;periodate","IUPAC Name Traditional":"Potassium;periodate",InChI:"1S/HIO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"FJVZDOGVDJCCCR-UHFFFAOYSA-M","Exact Mass":229.84784,"Molecular Formula":"IKO4","Molecular Weight":230,"Monoisotopic Mass":229.84784,Charge:0,"Easy Name":"Potassium periodate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I1K1O4"},516900:{PUBCHEM:{CID:"516900","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;perchlorate","IUPAC Name CAS-like Style":"Potassium;perchlorate","IUPAC Name Markup":"Potassium;perchlorate","IUPAC Name Preferred":"Potassium;perchlorate","IUPAC Name Systematic":"Potassium;perchlorate","IUPAC Name Traditional":"Potassium;perchlorate",InChI:"1S/ClHO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"YLMGFJXSLBMXHK-UHFFFAOYSA-M","Exact Mass":137.9122177,"Molecular Formula":"ClKO4","Molecular Weight":138.55,"Monoisotopic Mass":137.9122177,Charge:0,"Easy Name":"Potassium perchlorate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"COLORLESS CRYSTALS OR WHITE, CRYSTALLINE POWDER"},Density:{Value:"2.53 g/cu cm"},"Melting Point":{Value:"525 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4717, 1.4724, 1.476"},Solubility:{Value:"SOL IN 65 PARTS COLD WATER, 15 PARTS BOILING WATER; PRACTICALLY INSOL IN ALCOHOL"},Taste:{Value:"HAS SLIGHTLY SALTY TASTE"},Uses:{Value:"IN EXPLOSIVES, PYROTECHNICS & PHOTOGRAPHY; IN ANALYTICAL CHEMISTRY"}},ReducedFormula:"Cl1K1O4"},516902:{PUBCHEM:{CID:"516902","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;chlorate","IUPAC Name CAS-like Style":"Sodium;chlorate","IUPAC Name Markup":"Sodium;chlorate","IUPAC Name Preferred":"Sodium;chlorate","IUPAC Name Systematic":"Sodium;chlorate","IUPAC Name Traditional":"Sodium;chlorate",InChI:"1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"YZHUMGUJCQRKBT-UHFFFAOYSA-M","Exact Mass":105.9433658,"Molecular Formula":"ClNaO3","Molecular Weight":106.44,"Monoisotopic Mass":105.9433658,Charge:0,"Easy Name":"Sodium chlorate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless cubic crystals"},Density:{Value:"2.5 g/cu cm"},"Melting Point":{Value:"248 °C"},pH:{Value:"Aqueous solution is neutral"},"Refractive Index":{Value:"Index of refraction: 1.515 at 20 °C"},Solubility:{Value:"100 g/100 g water at 25 °C; slightly soluble in ethanol"},Taste:{Value:"Salty taste"},Uses:{Value:"For Sodium chlorate (USEPA/OPP Pesticide Code: 073301) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"Negligible at room temperature"}},ReducedFormula:"Cl1Na1O3"},516910:{PUBCHEM:{CID:"516910","Compound Complexity":13.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;nitrite","IUPAC Name CAS-like Style":"Potassium;nitrite","IUPAC Name Markup":"Potassium;nitrite","IUPAC Name Preferred":"Potassium;nitrite","IUPAC Name Systematic":"Potassium;nitrite","IUPAC Name Traditional":"Potassium;nitrite",InChI:"1S/K.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",InChIKey:"BXNHTSHTPBPRFX-UHFFFAOYSA-M","Exact Mass":84.95660973,"Molecular Formula":"KNO2","Molecular Weight":85.104,"Monoisotopic Mass":84.95660973,Charge:0,"Easy Name":"Potassium nitrite","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"537 °C (explodes)"},"Color And Form":{Value:"White or slightly yellow granules or rods"},Density:{Value:"1.915"},"Hazards Summary":{Value:'The major hazards encountered in the use and handling of potassium nitrite stem from its toxicologic properties and reactivity. Toxic by all routes (ie, inhalation, ingestion, or dermal contact), exposure to this white-to-yellowish, crystalline substance may occur from its use as a color fixative and preservative in meats, in analytical chemistry, and in organic synthesis. Effects from exposure may include burns to the skin and eyes, headache, nausea, or methemoglobinemia. In activities and situations where over-exposure may occur, wear personal protective clothing and a self-contained breathing apparatus. If exposure should occur, immediately flush affected skin and eyes with running water for at least 15 minutes. Remove contaminated clothing and shoes at the site. Potassium nitrite is an oxidizer and may ignite combustible materials (wood, paper, oil, etc.). With fuels, the reaction may be violent. Also, prolonged exposure to heat or fire may result in an explosion, with the production of poisonous gases. For fires involving potassium nitrite, extinguish with dry chemical, CO2, Halon, water spray, or fog. If water is used, apply from as far a distance as possible. If fire becomes uncontrollable, consider evacuation of one-half mile radius. Potassium nitrite should be kept in airtight containers and stored away from combustibles and sources of ignition. Potassium nitrite may be shipped via air, rail, road, and water, in containers bearing the label, "Oxidizer." For small spills of potassium nitrite, place material into a clean, dry, covered container. For large spills of potassium nitrite solutions, first dike far ahead of the spill to prevent it from entering water sources and sewers, then take up with sand, earth, or other noncombustible absorbent material.'},"Melting Point":{Value:"441 °C with decomp starting at 350 °C"},pH:{Value:"Aq soln is alkaline"},Solubility:{Value:"281 G/100 CC OF WATER @ 0 °C; 413 G/100 CC OF WATER @ 100 °C"},Uses:{Value:"... Oxidizing agent and as a corrosion inhibitor in washing with hot potash for removal of carbon dioxide from gas streams (e.g., synthesis gas).."}},ReducedFormula:"K1N1O2"},516919:{PUBCHEM:{CID:"516919","Compound Complexity":93.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;hydrogen sulfate","IUPAC Name CAS-like Style":"Sodium;hydrogen sulfate","IUPAC Name Markup":"Sodium;hydrogen sulfate","IUPAC Name Preferred":"Sodium;hydrogen sulfate","IUPAC Name Systematic":"Sodium;hydrogen sulfate","IUPAC Name Traditional":"Sodium;bisulfate",InChI:"1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",InChIKey:"WBHQBSYUUJJSRZ-UHFFFAOYSA-M","Exact Mass":119.94932397,"Molecular Formula":"HNaO4S","Molecular Weight":120.06,"Monoisotopic Mass":119.94932397,Charge:0,"Easy Name":"Sodium bisulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H1Na1O4S1"},516920:{PUBCHEM:{CID:"516920","Compound Complexity":93.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;hydrogen sulfate","IUPAC Name CAS-like Style":"Potassium;hydrogen sulfate","IUPAC Name Markup":"Potassium;hydrogen sulfate","IUPAC Name Preferred":"Potassium;hydrogen sulfate","IUPAC Name Systematic":"Potassium;hydrogen sulfate","IUPAC Name Traditional":"Potassium;bisulfate",InChI:"1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",InChIKey:"CHKVPAROMQMJNQ-UHFFFAOYSA-M","Exact Mass":135.92326117,"Molecular Formula":"HKO4S","Molecular Weight":136.17,"Monoisotopic Mass":135.92326117,Charge:0,"Easy Name":"Potassium bisulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H1K1O4S1"},516931:{PUBCHEM:{CID:"516931","Compound Complexity":29.9,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);sulfite","IUPAC Name CAS-like Style":"Barium(2+);sulfite","IUPAC Name Markup":"Barium(2+);sulfite","IUPAC Name Preferred":"Barium(2+);sulfite","IUPAC Name Systematic":"Barium(2+);sulfite","IUPAC Name Traditional":"Barium(2+);sulfite",InChI:"1S/Ba.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",InChIKey:"ARSLNKYOPNUFFY-UHFFFAOYSA-L","Exact Mass":217.862062,"Molecular Formula":"BaO3S","Molecular Weight":217.39,"Monoisotopic Mass":217.862062,Charge:0,"Easy Name":"Barium sulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1O3S1"},516951:{PUBCHEM:{CID:"516951","Compound Complexity":61.9,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;dihydrogen phosphate","IUPAC Name CAS-like Style":"Potassium;dihydrogen phosphate","IUPAC Name Markup":"Potassium;dihydrogen phosphate","IUPAC Name Preferred":"Potassium;dihydrogen phosphate","IUPAC Name Systematic":"Potassium;dihydrogen phosphate","IUPAC Name Traditional":"Potassium;dihydrogen phosphate",InChI:"1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",InChIKey:"GNSKLFRGEWLPPA-UHFFFAOYSA-M","Exact Mass":135.93277703,"Molecular Formula":"H2KO4P","Molecular Weight":136.086,"Monoisotopic Mass":135.93277703,Charge:0,"Easy Name":"Monopotassium phosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless crystals or white granular powder"},"Critical Temperature And Pressure":{Value:"Critical temperature = -151 °C"},Density:{Value:"2.34 g/cu cm"},"Melting Point":{Value:"253 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH = 4.4 to 4.7"},"Refractive Index":{Value:"Index of refraction: 1.5093, 1.4682, both at 589 nm"},Solubility:{Value:"Soluble in about 4.5 parts water; insoluble in alcohol"},Uses:{Value:"For monopotassium phosphate (USEPA/OPP Pesticide Code: 076413) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"H2K1O4P1"},517044:{PUBCHEM:{CID:"517044","Compound Complexity":34.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;acetate","IUPAC Name CAS-like Style":"Potassium;acetate","IUPAC Name Markup":"Potassium;acetate","IUPAC Name Preferred":"Potassium;acetate","IUPAC Name Systematic":"Potassium;ethanoate","IUPAC Name Traditional":"Potassium;acetate",InChI:"1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",InChIKey:"SCVFZCLFOSHCOH-UHFFFAOYSA-M","Exact Mass":97.97701082,"Molecular Formula":"C2H3KO2","Molecular Weight":98.14,"Monoisotopic Mass":97.97701082,Charge:0,"Easy Name":"Potassium acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2H3K1O2"},517045:{PUBCHEM:{CID:"517045","Compound Complexity":34.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;acetate","IUPAC Name CAS-like Style":"Sodium;acetate","IUPAC Name Markup":"Sodium;acetate","IUPAC Name Preferred":"Sodium;acetate","IUPAC Name Systematic":"Sodium;ethanoate","IUPAC Name Traditional":"Sodium;acetate",InChI:"1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",InChIKey:"VMHLLURERBWHNL-UHFFFAOYSA-M","Exact Mass":82.00307362,"Molecular Formula":"C2H3NaO2","Molecular Weight":82.03,"Monoisotopic Mass":82.00307362,Charge:0,"Easy Name":"Sodium acetate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"WHITE GRANULAR POWDER OR MONOCLINIC CRYSTALS"},Density:{Value:"1.528 g/ml"},"Melting Point":{Value:"324 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.464"},Solubility:{Value:"WATER: 119 G/100 ML @ 0 °C, 170.15 G/100 ML @ 100 °C; SLIGHTLY SOL IN ALCOHOL"},Uses:{Value:"AUXILIARY IN ACETYLATIONS /ANHYDROUS SODIUM ACETATE/"}},ReducedFormula:"C2H3Na1O2"},517055:{PUBCHEM:{CID:"517055","Compound Complexity":108,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Sodium;benzoate","IUPAC Name CAS-like Style":"Sodium;benzoate","IUPAC Name Markup":"Sodium;benzoate","IUPAC Name Preferred":"Sodium;benzoate","IUPAC Name Systematic":"Sodium;benzoate","IUPAC Name Traditional":"Sodium;benzoate",InChI:"1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",InChIKey:"WXMKPNITSTVMEF-UHFFFAOYSA-M","Exact Mass":144.01872368,"Molecular Formula":"C7H5NaO2","Molecular Weight":144.1,"Monoisotopic Mass":144.01872368,Charge:0,"Easy Name":"Sodium benzoate","Easy Category":"Preservative"},HSDB:{"Boiling Point":{Value:">450 °C to <475 °C, decomposes with no boiling (OECD Guideline 103 (Boiling point/boiling range))"},"Color And Form":{Value:"White, granules or crystalline powder"},Density:{Value:"1.50 g/cu cm (OECD Guideline 109 (Density of Liquids and Solids))"},"Melting Point":{Value:"436 °C (OECD Guideline 102 (Melting point / Melting Range))"},Odor:{Value:"Odorless"},pH:{Value:"Aqueous solution is slightly alkaline to litmus, pH about 8"},Solubility:{Value:"In water, 556 g/L (temperature and pH not reported)"},Taste:{Value:"Sweetish, astringent taste"},Uses:{Value:"For sodium benzoate (USEPA/OPP Pesticide Code: 009103) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.9X10-12 mm Hg at 25 °C (est)"}},ReducedFormula:"C7H5Na1O2"},517121:{PUBCHEM:{CID:"517121","Compound Complexity":225,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione","IUPAC Name CAS-like Style":"Sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione","IUPAC Name Markup":"Sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione","IUPAC Name Preferred":"Sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione","IUPAC Name Systematic":"Sodium;1,3-bis(chloranyl)-1,3-diaza-5-azanidacyclohexane-2,4,6-trione","IUPAC Name Traditional":"Sodium;1,3-dichloro-s-triazin-5-ide-2,4,6-trione",InChI:"1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1",InChIKey:"MSFGZHUJTJBYFA-UHFFFAOYSA-M","Exact Mass":218.9214405,"Molecular Formula":"C3Cl2N3NaO3","Molecular Weight":219.94,"Monoisotopic Mass":218.9214405,Charge:0,"Easy Name":"Sodium dichloroisocyanurate","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"White, crystalline powder"},"Melting Point":{Value:"230-250 °C"},"NFPA Hazard Classification":{Value:"2-0-1- ̵W̵"},Odor:{Value:"Chlorine odor"},pH:{Value:"pH = 6.2-6.8, 1% aqueous solution"},Solubility:{Value:"0.5g/100g acetone at 30 °C"},Uses:{Value:"For sodium dichloroisocyanurate (USEPA/OPP Pesticide Code: 081404) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C3Cl2N3Na1O3"},517165:{PUBCHEM:{CID:"517165","Compound Complexity":25.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;acetate","IUPAC Name CAS-like Style":"Ammonium;acetate","IUPAC Name Markup":"Azanium;acetate","IUPAC Name Preferred":"Azanium;acetate","IUPAC Name Systematic":"Azanium;ethanoate","IUPAC Name Traditional":"Ammonium;acetate",InChI:"1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3",InChIKey:"USFZMSVCRYTOJT-UHFFFAOYSA-N","Exact Mass":77.047678469,"Molecular Formula":"C2H7NO2","Molecular Weight":77.08,"Monoisotopic Mass":77.047678469,Charge:0,"Easy Name":"Ammonium acetate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"CRYSTALS OR CRYSTALLINE MASSES"},Density:{Value:"SP GR: 1.17 AT 20 °C/4 °C"},"Melting Point":{Value:"114 °C"},Odor:{Value:"SLIGHT ACETOUS ODOR"},pH:{Value:"VERY CONCENTRATED SOLN IS SLIGHTLY ACID & 0.5 MOLAR AQ SOLN HAS PH 7.0."},Solubility:{Value:"SOL IN LESS THAN 1 PART WATER; FREELY SOL IN ALCOHOL; SLIGHTLY SOL IN ACETONE."},Uses:{Value:"EXPLOSIVES, FOAM RUBBERS, VINYL PLASTICS, & DRUGS."}},ReducedFormula:"C2H7N1O2"},517207:{PUBCHEM:{CID:"517207","Compound Complexity":1290,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":2,"Rotatable Bond":7,"IUPAC Name Allowed":"Disodium;4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-1-sulfonate","IUPAC Name CAS-like Style":"Disodium;4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]-3-methylphenyl]-2-methylphenyl]azo-1-naphthalenesulfonate","IUPAC Name Markup":"Disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonate","IUPAC Name Preferred":"Disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonate","IUPAC Name Systematic":"Disodium;4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1-sulfonate","IUPAC Name Traditional":"Disodium;4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-1-sulfonate",InChI:"1S/C34H28N6O6S2.2Na/c1-19-15-21(11-13-27(19)37-39-29-17-31(47(41,42)43)23-7-3-5-9-25(23)33(29)35)22-12-14-28(20(2)16-22)38-40-30-18-32(48(44,45)46)24-8-4-6-10-26(24)34(30)36;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",InChIKey:"SUXCALIDMIIJCK-UHFFFAOYSA-L","Exact Mass":724.1150635,"Molecular Formula":"C34H26N6Na2O6S2","Molecular Weight":724.7,"Monoisotopic Mass":724.1150635,Charge:0,"Easy Name":"Benzopurpurine 4B","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C34H26N6Na2O6S2"},517277:{PUBCHEM:{CID:"517277","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxochromiooxy)chromium","IUPAC Name CAS-like Style":"Oxo(oxochromiooxy)chromium","IUPAC Name Markup":"Oxo(oxochromiooxy)chromium","IUPAC Name Preferred":"Oxo(oxochromiooxy)chromium","IUPAC Name Systematic":"Oxidanylidene(oxidanylidenechromiooxy)chromium","IUPAC Name Traditional":"Keto(ketochromiooxy)chromium",InChI:"1S/2Cr.3O",InChIKey:"QDOXWKRWXJOMAK-UHFFFAOYSA-N","Exact Mass":151.865754,"Molecular Formula":"Cr2O3","Molecular Weight":151.99,"Monoisotopic Mass":151.865754,Charge:0,"Easy Name":"Chromium (III) oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"4000 °C"},"Color And Form":{Value:"Light to dark green, fine, hexagonal crystals"},Density:{Value:"5.22 at 25 °C"},"Melting Point":{Value:"2435 °C"},pH:{Value:"Trivalent chromium compounds are amphoteric"},"Refractive Index":{Value:"Index of refraction: 2.551"},Solubility:{Value:"In water, 3.13 ug/L at 20 °C, pH 6; 2.96 ug/L at 20 °C, pH 8"},Uses:{Value:"For chromic oxide (USEPA/OPP Pesticide Code: 021103) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cr2O3"},517357:{PUBCHEM:{CID:"517357","Compound Complexity":207,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":16,"IUPAC Name Allowed":"Lithium;octadecanoate","IUPAC Name CAS-like Style":"Lithium;octadecanoate","IUPAC Name Markup":"Lithium;octadecanoate","IUPAC Name Preferred":"Lithium;octadecanoate","IUPAC Name Systematic":"Lithium;octadecanoate","IUPAC Name Traditional":"Lithium;stearate",InChI:"1S/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",InChIKey:"HGPXWXLYXNVULB-UHFFFAOYSA-M","Exact Mass":290.2797088,"Molecular Formula":"C18H35LiO2","Molecular Weight":290.4,"Monoisotopic Mass":290.2797088,Charge:0,"Easy Name":"Lithium stearate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C18H35Li1O2"},518325:{PUBCHEM:{CID:"518325","Compound Complexity":354,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,2,4-triphenylbenzene","IUPAC Name CAS-like Style":"1,2,4-triphenylbenzene","IUPAC Name Markup":"1,2,4-triphenylbenzene","IUPAC Name Preferred":"1,2,4-triphenylbenzene","IUPAC Name Systematic":"1,2,4-triphenylbenzene","IUPAC Name Traditional":"1,2,4-triphenylbenzene",InChI:"1S/C24H18/c1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h1-18H",InChIKey:"XXCVBOQRPQKVKY-UHFFFAOYSA-N","Log P":7.7,"Exact Mass":306.14085058,"Molecular Formula":"C24H18","Molecular Weight":306.4,"Monoisotopic Mass":306.14085058,Charge:0,"Easy Name":"1, 2, 4-Triphenylbenzene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C24H18"},518682:{PUBCHEM:{CID:"518682","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxoboranyloxy)borane","IUPAC Name CAS-like Style":"Oxo(oxoboranyloxy)borane","IUPAC Name Markup":"Oxo(oxoboranyloxy)borane","IUPAC Name Preferred":"Oxo(oxoboranyloxy)borane","IUPAC Name Systematic":"Oxidanylidene(oxidanylideneboranyloxy)borane","IUPAC Name Traditional":"Keto(ketoboranyloxy)borane",InChI:"1S/B2O3/c3-1-5-2-4",InChIKey:"JKWMSGQKBLHBQQ-UHFFFAOYSA-N","Exact Mass":70.0033542,"Molecular Formula":"B2O3","Molecular Weight":69.63,"Monoisotopic Mass":70.0033542,Charge:0,"Easy Name":"Boron trioxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"1500 °C (crystal)"},"Color And Form":{Value:"Colorless, brittle, vitreous, semitransparent lumps or hard, white crystals"},Density:{Value:"1.8 g/cu cm (amorphous); 2.46 g/cu cm (crystal)"},"Melting Point":{Value:"450 °C (crystal)"},Odor:{Value:"Odorless"},pH:{Value:"pH = 5.1 at 20 °C 1.0% solution"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.61"},Solubility:{Value:"Slowly soluble in 30 parts cold water; slowly soluble in 5 parts boiling water; soluble in alcohol, glycerol"},Taste:{Value:"Slightly bitter taste"},Uses:{Value:"For boron oxide (USEPA/OPP Pesticide Code: 011002) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"Negligible at 20 °C"}},ReducedFormula:"B2O3"},518696:{PUBCHEM:{CID:"518696","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxoferriooxy)iron","IUPAC Name CAS-like Style":"Oxo(oxoferriooxy)iron","IUPAC Name Markup":"Oxo(oxoferriooxy)iron","IUPAC Name Preferred":"Oxo(oxoferriooxy)iron","IUPAC Name Systematic":"Oxidanylidene(oxidanylideneferriooxy)iron","IUPAC Name Traditional":"Keto(ketoferriooxy)iron",InChI:"1S/2Fe.3O",InChIKey:"JEIPFZHSYJVQDO-UHFFFAOYSA-N","Exact Mass":159.854615,"Molecular Formula":"Fe2O3","Molecular Weight":159.69,"Monoisotopic Mass":159.854615,Charge:0,"Easy Name":"Iron (III) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Fe2O3"},518710:{PUBCHEM:{CID:"518710","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxovanadiooxy)vanadium","IUPAC Name CAS-like Style":"Oxo(oxovanadiooxy)vanadium","IUPAC Name Markup":"Oxo(oxovanadiooxy)vanadium","IUPAC Name Preferred":"Oxo(oxovanadiooxy)vanadium","IUPAC Name Systematic":"Oxidanylidene(oxidanylidenevanadiooxy)vanadium","IUPAC Name Traditional":"Keto(ketovanadiooxy)vanadium",InChI:"1S/3O.2V",InChIKey:"KFAFTZQGYMGWLU-UHFFFAOYSA-N","Exact Mass":149.872658,"Molecular Formula":"O3V2","Molecular Weight":149.881,"Monoisotopic Mass":149.872658,Charge:0,"Easy Name":"Vanadium (III) oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"Approximately 3000 °C"},"Color And Form":{Value:"Black powder"},Density:{Value:"4.87 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of divanadium trioxide stem from its irritant properties. Exposure to this black powder may occur from vanadium smelting and refining, and from the cleaning of oil-fired boilers, combustion chambers, gas turbines, and firebrick linings. Effects from exposure may include eye irritation, dermatitis, rhinitis, tracheitis, bronchitis, or pulmonary edema. Engineering controls should be used to limit divanadium trioxide exposure. In activities and situations where over-exposure may occur, wear protective clothing to prevent skin contact, and a self-contained breathing apparatus. Safety showers and eyewash fountains should be located in areas where exposures are likely. If contact should occur, flush exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin with soap and water. Contaminated clothing should be removed and left at the work site for cleaning. Upon heating, divanadium trioxide may ignite in air, with the formation of vanadium oxide fumes. Also, containers may explode violently in the heat of a fire. Fires involving divanadium trioxide may be extinguished with dry chemical, CO2, Halon, water spray, fog, or standard foam. Use dikes to prevent fire control water from entering water sources or sewers. Divanadium trioxide should be stored in tightly closed containers, away from moisture, heat, sparks, and flames. Large spills of divanadium trioxide should be contained in pits or other holding areas (liquid solutions diked to prevent runoff; solids covered with a plastic sheet). Small spills should be placed in a covered container (liquid solutions first taken up with sand or a noncombustible absorbent), and placed into containers for later disposal."},"Melting Point":{Value:"1940 °C"},Solubility:{Value:"In water, 0.01 g/100 mL at 20 °C"},Uses:{Value:"Catalyst, e.g., when making ethanol from ethylene."}},ReducedFormula:"O3V2"},518711:{PUBCHEM:{CID:"518711","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxoyttriooxy)yttrium","IUPAC Name CAS-like Style":"Oxo(oxoyttriooxy)yttrium","IUPAC Name Markup":"Oxo(oxoyttriooxy)yttrium","IUPAC Name Preferred":"Oxo(oxoyttriooxy)yttrium","IUPAC Name Systematic":"Oxidanylidene(oxidanylideneyttriooxy)yttrium","IUPAC Name Traditional":"Keto(ketoyttriooxy)yttrium",InChI:"1S/3O.2Y",InChIKey:"SIWVEOZUMHYXCS-UHFFFAOYSA-N","Exact Mass":225.79643,"Molecular Formula":"O3Y2","Molecular Weight":225.81,"Monoisotopic Mass":225.79643,Charge:0,"Easy Name":"Yttrium (III) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O3Y2"},518712:{PUBCHEM:{CID:"518712","Compound Complexity":124,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxotantaliooxy(dioxo)tantalum","IUPAC Name CAS-like Style":"Dioxotantaliooxy(dioxo)tantalum","IUPAC Name Markup":"Dioxotantaliooxy(dioxo)tantalum","IUPAC Name Preferred":"Dioxotantaliooxy(dioxo)tantalum","IUPAC Name Systematic":"Bis(oxidanylidene)tantaliooxy-bis(oxidanylidene)tantalum","IUPAC Name Traditional":"Diketotantaliooxy(diketo)tantalum",InChI:"1S/5O.2Ta",InChIKey:"PBCFLUZVCVVTBY-UHFFFAOYSA-N","Exact Mass":441.87057,"Molecular Formula":"O5Ta2","Molecular Weight":441.89,"Monoisotopic Mass":441.87057,Charge:0,"Easy Name":"Tantalum pentoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O5Ta2"},518713:{PUBCHEM:{CID:"518713","Compound Complexity":55.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"4-methylhept-1-ene","IUPAC Name CAS-like Style":"4-methyl-1-heptene","IUPAC Name Markup":"4-methylhept-1-ene","IUPAC Name Preferred":"4-methylhept-1-ene","IUPAC Name Systematic":"4-methylhept-1-ene","IUPAC Name Traditional":"4-methylhept-1-ene",InChI:"1S/C8H16/c1-4-6-8(3)7-5-2/h4,8H,1,5-7H2,2-3H3",InChIKey:"BFGOGLKYJXQPJZ-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"4-Methyl-1-heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},518740:{PUBCHEM:{CID:"518740","Compound Complexity":33.4,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4,5-trioxa-1,3-diarsabicyclo[1.1.1]pentane","IUPAC Name CAS-like Style":"2,4,5-trioxa-1,3-diarsabicyclo[1.1.1]pentane","IUPAC Name Markup":"2,4,5-trioxa-1,3-diarsabicyclo[1.1.1]pentane","IUPAC Name Preferred":"2,4,5-trioxa-1,3-diarsabicyclo[1.1.1]pentane","IUPAC Name Systematic":"2,4,5-trioxa-1,3-diarsabicyclo[1.1.1]pentane","IUPAC Name Traditional":"2,4,5-trioxa-1,3-diarsabicyclo[1.1.1]pentane",InChI:"1S/As2O3/c3-1-4-2(3)5-1",InChIKey:"GOLCXWYRSKYTSP-UHFFFAOYSA-N","Exact Mass":197.82793,"Molecular Formula":"As2O3","Molecular Weight":197.841,"Monoisotopic Mass":197.82793,Charge:0,"Easy Name":"Arsenic trioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"As2O3"},518825:{PUBCHEM:{CID:"518825","Compound Complexity":106,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon monoxide;iodorhenium","IUPAC Name CAS-like Style":"Carbon monoxide;iodorhenium","IUPAC Name Markup":"Carbon monoxide;iodorhenium","IUPAC Name Preferred":"Carbon monoxide;iodorhenium","IUPAC Name Systematic":"Carbon monoxide;iodanylrhenium","IUPAC Name Traditional":"Carbon monoxide;iodorhenium",InChI:"1S/5CO.HI.Re/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1",InChIKey:"DGSSBNZHZQWZBU-UHFFFAOYSA-M","Exact Mass":453.8348,"Molecular Formula":"C5IO5Re","Molecular Weight":453.16,"Monoisotopic Mass":453.8348,Charge:0,"Easy Name":"Pentacarbonyliodorhenium","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C5I1O5Re1"},518826:{PUBCHEM:{CID:"518826","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iodorhenium","IUPAC Name CAS-like Style":"Iodorhenium","IUPAC Name Markup":"Iodorhenium","IUPAC Name Preferred":"Iodorhenium","IUPAC Name Systematic":"Iodanylrhenium","IUPAC Name Traditional":"Iodorhenium",InChI:"1S/HI.Re/h1H;/q;+1/p-1",InChIKey:"DZLUIWIPHUOKGU-UHFFFAOYSA-M","Exact Mass":313.86022,"Molecular Formula":"IRe","Molecular Weight":313.11,"Monoisotopic Mass":313.86022,Charge:0,"Easy Name":"Iodorhenium","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I1Re1"},518872:{PUBCHEM:{CID:"518872","Compound Complexity":23,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;tetrafluoroborate","IUPAC Name CAS-like Style":"Potassium;tetrafluoroborate","IUPAC Name Markup":"Potassium;tetrafluoroborate","IUPAC Name Preferred":"Potassium;tetrafluoroborate","IUPAC Name Systematic":"Potassium;tetrafluoroborate","IUPAC Name Traditional":"Potassium;tetrafluoroborate",InChI:"1S/BF4.K/c2-1(3,4)5;/q-1;+1",InChIKey:"AKEBROIVCDHVSD-UHFFFAOYSA-N","Exact Mass":125.9666243,"Molecular Formula":"BF4K","Molecular Weight":125.91,"Monoisotopic Mass":125.9666243,Charge:0,"Easy Name":"Potassium tetrafluoroborate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"B1F4K1"},518876:{PUBCHEM:{CID:"518876","Compound Complexity":106,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon monoxide;chlororhenium","IUPAC Name CAS-like Style":"Carbon monoxide;chlororhenium","IUPAC Name Markup":"Carbon monoxide;chlororhenium","IUPAC Name Preferred":"Carbon monoxide;chlororhenium","IUPAC Name Systematic":"Carbon 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Allowed":"2,3,4,4-tetramethylhexane","IUPAC Name CAS-like Style":"2,3,4,4-tetramethylhexane","IUPAC Name Markup":"2,3,4,4-tetramethylhexane","IUPAC Name Preferred":"2,3,4,4-tetramethylhexane","IUPAC Name Systematic":"2,3,4,4-tetramethylhexane","IUPAC Name Traditional":"2,3,4,4-tetramethylhexane",InChI:"1S/C10H22/c1-7-10(5,6)9(4)8(2)3/h8-9H,7H2,1-6H3",InChIKey:"XDRDDPSGUQMOBO-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":142.17215071,"Molecular Formula":"C10H22","Molecular Weight":142.28,"Monoisotopic Mass":142.17215071,Charge:0,"Easy Name":"2, 3, 4, 4-Tetramethylhexane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C10H22"},521429:{PUBCHEM:{CID:"521429","Compound Complexity":70,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"2,3,4,5-tetramethylhexane","IUPAC Name CAS-like Style":"2,3,4,5-tetramethylhexane","IUPAC Name Markup":"2,3,4,5-tetramethylhexane","IUPAC Name Preferred":"2,3,4,5-tetramethylhexane","IUPAC Name Systematic":"2,3,4,5-tetramethylhexane","IUPAC Name Traditional":"2,3,4,5-tetramethylhexane",InChI:"1S/C10H22/c1-7(2)9(5)10(6)8(3)4/h7-10H,1-6H3",InChIKey:"BHGNYYIOYPFWKC-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":142.17215071,"Molecular Formula":"C10H22","Molecular Weight":142.28,"Monoisotopic Mass":142.17215071,Charge:0,"Easy Name":"2, 3, 4, 5-Tetramethylhexane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C10H22"},521456:{PUBCHEM:{CID:"521456","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Azaniumylammonium;dichloride","IUPAC Name CAS-like Style":"Ammonioammonium;dichloride","IUPAC Name Markup":"Azaniumylazanium;dichloride","IUPAC Name Preferred":"Azaniumylazanium;dichloride","IUPAC Name Systematic":"Azaniumylazanium;dichloride","IUPAC Name Traditional":"Ammonioammonium;dichloride",InChI:"1S/2ClH.H6N2/c;;1-2/h2*1H;1-2H3/q;;+2/p-2",InChIKey:"XXCWUXCZBTWDKG-UHFFFAOYSA-L","Exact Mass":103.9908036,"Molecular Formula":"Cl2H6N2","Molecular Weight":104.96,"Monoisotopic Mass":103.9908036,Charge:0,"Easy Name":"Diazanediium dichloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2H6N2"},521755:{PUBCHEM:{CID:"521755","Compound Complexity":88.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Nona-2,4-diene","IUPAC Name CAS-like Style":"Nona-2,4-diene","IUPAC Name Markup":"Nona-2,4-diene","IUPAC Name Preferred":"Nona-2,4-diene","IUPAC Name Systematic":"Nona-2,4-diene","IUPAC Name Traditional":"Nona-2,4-diene",InChI:"1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7,9H,4,6,8H2,1-2H3",InChIKey:"HKEBYUNPANBGPL-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":124.12520052,"Molecular Formula":"C9H16","Molecular Weight":124.22,"Monoisotopic Mass":124.12520052,Charge:0,"Easy Name":"2, 4-nonadiene","Easy Category":"Diene"},HSDB:{},ReducedFormula:"C9H16"},521840:{PUBCHEM:{CID:"521840","Compound Complexity":211,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"2-isopropylidenebutanedioic acid","IUPAC Name CAS-like Style":"2-propan-2-ylidenebutanedioic acid","IUPAC Name Markup":"2-propan-2-ylidenebutanedioic acid","IUPAC Name Preferred":"2-propan-2-ylidenebutanedioic acid","IUPAC Name Systematic":"2-propan-2-ylidenebutanedioic acid","IUPAC Name Traditional":"2-isopropylidenesuccinic acid",InChI:"1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3H2,1-2H3,(H,8,9)(H,10,11)",InChIKey:"GYXGAEAOIFNGAE-UHFFFAOYSA-N","Log P":.7,"Exact Mass":158.0579088,"Molecular Formula":"C7H10O4","Molecular Weight":158.15,"Monoisotopic Mass":158.0579088,Charge:0,"Easy Name":"Tetraconic Acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H10O4"},521913:{PUBCHEM:{CID:"521913","Compound Complexity":46.3,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"N,N-diethylpropan-2-amine","IUPAC Name CAS-like Style":"N,N-diethyl-2-propanamine","IUPAC Name Markup":"N,N-diethylpropan-2-amine","IUPAC Name Preferred":"N,N-diethylpropan-2-amine","IUPAC Name Systematic":"N,N-diethylpropan-2-amine","IUPAC Name Traditional":"Diethyl(isopropyl)amine",InChI:"1S/C7H17N/c1-5-8(6-2)7(3)4/h7H,5-6H2,1-4H3",InChIKey:"ULWOJODHECIZAU-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":115.13609955,"Molecular Formula":"C7H17N","Molecular Weight":115.22,"Monoisotopic Mass":115.13609955,Charge:0,"Easy Name":"Diethylisopropylamine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C7H17N1"},521922:{PUBCHEM:{CID:"521922","Compound Complexity":267,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3-trinitrobenzene","IUPAC Name CAS-like Style":"1,2,3-trinitrobenzene","IUPAC Name Markup":"1,2,3-trinitrobenzene","IUPAC Name Preferred":"1,2,3-trinitrobenzene","IUPAC Name Systematic":"1,2,3-trinitrobenzene","IUPAC Name Traditional":"1,2,3-trinitrobenzene",InChI:"1S/C6H3N3O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H",InChIKey:"ONOWMDPHGJEBAZ-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":213.00218483,"Molecular Formula":"C6H3N3O6","Molecular Weight":213.1,"Monoisotopic Mass":213.00218483,Charge:0,"Easy Name":"1, 2, 3-Trinitrobenzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C6H3N3O6"},522325:{PUBCHEM:{CID:"522325","Compound Complexity":552,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Sodium;[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate","IUPAC Name CAS-like Style":"Sodium;[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]methanesulfonate","IUPAC Name Markup":"Sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate","IUPAC Name Preferred":"Sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate","IUPAC Name Systematic":"Sodium;[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate","IUPAC Name Traditional":"Sodium;[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonate",InChI:"1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1",InChIKey:"DJGAAPFSPWAYTJ-UHFFFAOYSA-M","Exact Mass":333.07592146,"Molecular Formula":"C13H16N3NaO4S","Molecular Weight":333.34,"Monoisotopic Mass":333.07592146,Charge:0,"Easy Name":"Metamizole","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C13H16N3Na1O4S1"},522606:{PUBCHEM:{CID:"522606","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;perchlorate","IUPAC Name CAS-like Style":"Sodium;perchlorate","IUPAC Name Markup":"Sodium;perchlorate","IUPAC Name Preferred":"Sodium;perchlorate","IUPAC Name Systematic":"Sodium;perchlorate","IUPAC Name Traditional":"Sodium;perchlorate",InChI:"1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"BAZAXWOYCMUHIX-UHFFFAOYSA-M","Exact Mass":121.9382805,"Molecular Formula":"ClNaO4","Molecular Weight":122.44,"Monoisotopic Mass":121.9382805,Charge:0,"Easy Name":"Sodium perchlorate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White orthorhombic crystals"},Density:{Value:"2.52 g/cu cm"},"Melting Point":{Value:"480 °C with decomposition."},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4606, 1.4617, 1.4731"},Solubility:{Value:"SOL IN COLD WATER; VERY SOL IN HOT WATER; SOL IN ALC"},Uses:{Value:"IN JET FUEL; ANALYTICAL REAGENT"}},ReducedFormula:"Cl1Na1O4"},522683:{PUBCHEM:{CID:"522683","Compound Complexity":37.1,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentafluoro-lambda5-iodane","IUPAC Name CAS-like Style":"Pentafluoro-lambda5-iodane","IUPAC Name Markup":"Pentafluoro-λ5-iodane","IUPAC Name Preferred":"Pentafluoro-lambda5-iodane","IUPAC Name Systematic":"Pentakis(fluoranyl)-lambda5-iodane","IUPAC Name Traditional":"Pentafluoro-lambda5-iodane",InChI:"1S/F5I/c1-6(2,3,4)5",InChIKey:"PJIYEPACCBMRLZ-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":221.89649,"Molecular Formula":"F5I","Molecular Weight":221.8965,"Monoisotopic Mass":221.89649,Charge:0,"Easy Name":"Iodine pentafluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F5I1"},522684:{PUBCHEM:{CID:"522684","Compound Complexity":62.7,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexafluorotungsten","IUPAC Name CAS-like Style":"Hexafluorotungsten","IUPAC Name Markup":"Hexafluorotungsten","IUPAC Name Preferred":"Hexafluorotungsten","IUPAC Name Systematic":"Hexakis(fluoranyl)tungsten","IUPAC Name Traditional":"Hexafluorotungsten",InChI:"1S/6FH.W/h6*1H;/q;;;;;;+6/p-6",InChIKey:"NXHILIPIEUBEPD-UHFFFAOYSA-H","Exact Mass":297.941352,"Molecular Formula":"F6W","Molecular Weight":297.8,"Monoisotopic Mass":297.941352,Charge:0,"Easy Name":"Tungsten hexafluoride","Easy Category":"Binary compound"},HSDB:{"Boiling Point":{Value:"17.1 °C"},"Color And Form":{Value:"Yellow liquid or colorless gas"},"Critical Temperature And Pressure":{Value:"Critical temperature: 444 K; critical pressure: 4.34 MPa"},Density:{Value:"3.44 g/cu cm"},"Heat Of Vaporization":{Value:"26.5 kJ/mol at 17.1 °C"},"Melting Point":{Value:"1.9 °C"},Solubility:{Value:"Reacts with water"}},ReducedFormula:"F6W1"},522688:{PUBCHEM:{CID:"522688","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Difluorocopper","IUPAC Name CAS-like Style":"Difluorocopper","IUPAC Name Markup":"Difluorocopper","IUPAC Name Preferred":"Difluorocopper","IUPAC Name Systematic":"Bis(fluoranyl)copper","IUPAC Name Traditional":"Difluorocopper",InChI:"1S/Cu.2FH/h;2*1H/q+2;;/p-2",InChIKey:"GWFAVIIMQDUCRA-UHFFFAOYSA-L","Exact Mass":100.926404,"Molecular Formula":"CuF2","Molecular Weight":101.54,"Monoisotopic Mass":100.926404,Charge:0,"Easy Name":"Copper (II) fluoride","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Cu1F2"},522689:{PUBCHEM:{CID:"522689","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;fluoride","IUPAC Name CAS-like Style":"Potassium;fluoride","IUPAC Name Markup":"Potassium;fluoride","IUPAC Name Preferred":"Potassium;fluoride","IUPAC Name Systematic":"Potassium;fluoride","IUPAC Name Traditional":"Potassium;fluoride",InChI:"1S/FH.K/h1H;/q;+1/p-1",InChIKey:"NROKBHXJSPEDAR-UHFFFAOYSA-M","Exact Mass":57.96210965,"Molecular Formula":"FK","Molecular Weight":58.097,"Monoisotopic Mass":57.96210965,Charge:0,"Easy Name":"Potassium fluoride","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"1502 °C"},"Color And Form":{Value:"White cubic crystals"},Density:{Value:"2.48 g/cu cm"},"Melting Point":{Value:"858 °C"},Solubility:{Value:"Soluble in water, hydrogen fluoride; insoluble in alcohol"},Taste:{Value:"Sharp saline taste"},Uses:{Value:"Since 1991, fluoridated salt has been on sale in household-size packages in Germany. Potassium or sodium fluoride is added to iodized salt until the fluoride concentration reaches 250 mg/kg."},"Vapor Pressure":{Value:"100 Pa (0.75 mm Hg) at 869 °C; 1 kPa (7.5 mm Hg) at 1017 °C; 10 kPa (75 mm Hg) at 1216 °C; 100 kPa (750 mm Hg) at 1499 °C"}},ReducedFormula:"F1K1"},522691:{PUBCHEM:{CID:"522691","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;dibromide","IUPAC Name CAS-like Style":"Magnesium;dibromide","IUPAC Name Markup":"Magnesium;dibromide","IUPAC Name Preferred":"Magnesium;dibromide","IUPAC Name Systematic":"Magnesium;dibromide","IUPAC Name Traditional":"Magnesium;dibromide",InChI:"1S/2BrH.Mg/h2*1H;/q;;+2/p-2",InChIKey:"OTCKOJUMXQWKQG-UHFFFAOYSA-L","Exact Mass":183.81967,"Molecular Formula":"Br2Mg","Molecular Weight":184.11,"Monoisotopic Mass":181.82172,Charge:0,"Easy Name":"Magnesium bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br2Mg1"},522707:{PUBCHEM:{CID:"522707","Compound Complexity":243,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon monoxide;technetium","IUPAC Name CAS-like Style":"Carbon monoxide;technetium","IUPAC Name Markup":"Carbon monoxide;technetium","IUPAC Name Preferred":"Carbon monoxide;technetium","IUPAC Name Systematic":"Carbon monoxide;technetium","IUPAC Name Traditional":"Carbon monoxide;technetium",InChI:"1S/10CO.2Tc/c10*1-2;;",InChIKey:"VCYMQIWVZLSQAD-UHFFFAOYSA-N","Exact Mass":475.76357,"Molecular Formula":"C10O10Tc2","Molecular Weight":475.91,"Monoisotopic Mass":475.76357,Charge:0,"Easy Name":"Ditechnetium decacarbonyl","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"C10O10Tc2"},524190:{PUBCHEM:{CID:"524190","Compound Complexity":42.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"4,5-dihydro-3H-pyrazole","IUPAC Name CAS-like Style":"4,5-dihydro-3H-pyrazole","IUPAC Name Markup":"4,5-dihydro-3H-pyrazole","IUPAC Name Preferred":"4,5-dihydro-3H-pyrazole","IUPAC Name Systematic":"4,5-dihydro-3H-pyrazole","IUPAC Name Traditional":"1-pyrazoline",InChI:"1S/C3H6N2/c1-2-4-5-3-1/h1-3H2",InChIKey:"DNXIASIHZYFFRO-UHFFFAOYSA-N","Log P":.4,"Exact Mass":70.053098202,"Molecular Formula":"C3H6N2","Molecular Weight":70.09,"Monoisotopic Mass":70.053098202,Charge:0,"Easy Name":"1-Pyrazoline","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H6N2"},527884:{PUBCHEM:{CID:"527884","Compound Complexity":82.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1-chloropropyl acetate","IUPAC Name CAS-like Style":"Acetic acid 1-chloropropyl ester","IUPAC Name Markup":"1-chloropropyl acetate","IUPAC Name Preferred":"1-chloropropyl acetate","IUPAC Name Systematic":"1-chloranylpropyl ethanoate","IUPAC Name Traditional":"Acetic acid 1-chloropropyl ester",InChI:"1S/C5H9ClO2/c1-3-5(6)8-4(2)7/h5H,3H2,1-2H3",InChIKey:"VBEFTAAXOJJJKG-UHFFFAOYSA-N","Log P":2,"Exact Mass":136.0291072,"Molecular Formula":"C5H9ClO2","Molecular Weight":136.58,"Monoisotopic Mass":136.0291072,Charge:0,"Easy Name":"1-Chloropropyl acetate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C5Cl1H9O2"},529274:{PUBCHEM:{CID:"529274","Compound Complexity":73.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"4-methylhex-1-yne","IUPAC Name CAS-like Style":"4-methyl-1-hexyne","IUPAC Name Markup":"4-methylhex-1-yne","IUPAC Name Preferred":"4-methylhex-1-yne","IUPAC Name Systematic":"4-methylhex-1-yne","IUPAC Name Traditional":"4-methylhex-1-yne",InChI:"1S/C7H12/c1-4-6-7(3)5-2/h1,7H,5-6H2,2-3H3",InChIKey:"YFZSGTDENCTWGW-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":96.09390039,"Molecular Formula":"C7H12","Molecular Weight":96.17,"Monoisotopic Mass":96.09390039,Charge:0,"Easy Name":"1-Hexyne, 4-methyl","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C7H12"},529278:{PUBCHEM:{CID:"529278","Compound Complexity":99.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"5-methylhept-2-yne","IUPAC Name CAS-like Style":"5-methyl-2-heptyne","IUPAC Name Markup":"5-methylhept-2-yne","IUPAC Name Preferred":"5-methylhept-2-yne","IUPAC Name Systematic":"5-methylhept-2-yne","IUPAC Name Traditional":"5-methylhept-2-yne",InChI:"1S/C8H14/c1-4-6-7-8(3)5-2/h8H,5,7H2,1-3H3",InChIKey:"IBUAQOAHFNAARK-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":110.10955045,"Molecular Formula":"C8H14","Molecular Weight":110.2,"Monoisotopic Mass":110.10955045,Charge:0,"Easy Name":"5-Methyl-2-heptyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C8H14"},529287:{PUBCHEM:{CID:"529287","Compound Complexity":97.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-methylhept-3-yne","IUPAC Name CAS-like Style":"2-methyl-3-heptyne","IUPAC Name Markup":"2-methylhept-3-yne","IUPAC Name Preferred":"2-methylhept-3-yne","IUPAC Name Systematic":"2-methylhept-3-yne","IUPAC Name Traditional":"2-methylhept-3-yne",InChI:"1S/C8H14/c1-4-5-6-7-8(2)3/h8H,4-5H2,1-3H3",InChIKey:"HLWVADIAYHXLDP-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":110.10955045,"Molecular Formula":"C8H14","Molecular Weight":110.2,"Monoisotopic Mass":110.10955045,Charge:0,"Easy Name":"2-Methyl-3-heptyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C8H14"},533728:{PUBCHEM:{CID:"533728","Compound Complexity":83,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Sodium;N,N-diethylcarbamodithioate","IUPAC Name CAS-like Style":"Sodium;N,N-diethylcarbamodithioate","IUPAC Name Markup":"Sodium;N,N-diethylcarbamodithioate","IUPAC Name Preferred":"Sodium;N,N-diethylcarbamodithioate","IUPAC Name Systematic":"Sodium;N,N-diethylcarbamodithioate","IUPAC Name Traditional":"Sodium;N,N-diethylcarbamodithioate",InChI:"1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1",InChIKey:"IOEJYZSZYUROLN-UHFFFAOYSA-M","Exact Mass":171.01523596,"Molecular Formula":"C5H10NNaS2","Molecular Weight":171.3,"Monoisotopic Mass":171.01523596,Charge:0,"Easy Name":"Sodium;N, N-diethylcarbamodithioate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"Crystals from ethanol"},Density:{Value:"1.1 g/cu cm at 20 °C/20 °C"},"Melting Point":{Value:"95 °C"},Solubility:{Value:"Soluble in water"},Uses:{Value:"Adjuvants, Immunologic; Antiviral Agents; Chelating Agents"},"Vapor Density":{Value:"5.9 (Air = 1)"}},ReducedFormula:"C5H10N1Na1S2"},538757:{PUBCHEM:{CID:"538757","Compound Complexity":218,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4-dihydroxy-2,5-dimethyl-furan-3-one","IUPAC Name CAS-like Style":"2,4-dihydroxy-2,5-dimethyl-3-furanone","IUPAC Name Markup":"2,4-dihydroxy-2,5-dimethylfuran-3-one","IUPAC Name Preferred":"2,4-dihydroxy-2,5-dimethylfuran-3-one","IUPAC Name Systematic":"2,5-dimethyl-2,4-bis(oxidanyl)furan-3-one","IUPAC Name Traditional":"2,4-dihydroxy-2,5-dimethyl-furan-3-one",InChI:"1S/C6H8O4/c1-3-4(7)5(8)6(2,9)10-3/h7,9H,1-2H3",InChIKey:"GMQUMWVEWMCMOQ-UHFFFAOYSA-N","Log P":-.1,"Exact Mass":144.042258736,"Molecular Formula":"C6H8O4","Molecular Weight":144.12,"Monoisotopic Mass":144.042258736,Charge:0,"Easy Name":"2, 4-Dihydroxy-2, 5-dimethyl-3 (2H)-furanone","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C6H8O4"},539772:{PUBCHEM:{CID:"539772","Compound Complexity":654,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate","IUPAC Name CAS-like Style":"Acetic acid (4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester","IUPAC Name Markup":"(4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate","IUPAC Name Preferred":"(4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate","IUPAC Name Systematic":"(4-chloranyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ethanoate","IUPAC Name Traditional":"Acetic acid (4-chloro-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester",InChI:"1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3",InChIKey:"XYGMEFJSKQEBTO-UHFFFAOYSA-N","Log P":4.7,"Exact Mass":364.1805225,"Molecular Formula":"C21H29ClO3","Molecular Weight":364.9,"Monoisotopic Mass":364.1805225,Charge:0,"Easy Name":"Clostebol acetate","Easy Category":"Steroid"},HSDB:{},ReducedFormula:"C21Cl1H29O3"},542036:{PUBCHEM:{CID:"542036","Compound Complexity":191,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"1-(4-chloro-2,5-dimethoxy-phenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(4-chloro-2,5-dimethoxyphenyl)-2-propanamine","IUPAC Name Markup":"1-(4-chloro-2,5-dimethoxyphenyl)propan-2-amine","IUPAC Name Preferred":"1-(4-chloro-2,5-dimethoxyphenyl)propan-2-amine","IUPAC Name Systematic":"1-(4-chloranyl-2,5-dimethoxy-phenyl)propan-2-amine","IUPAC Name Traditional":"[2-(4-chloro-2,5-dimethoxy-phenyl)-1-methyl-ethyl]amine",InChI:"1S/C11H16ClNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3",InChIKey:"ACRITBNCBMTINK-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":229.0869565,"Molecular Formula":"C11H16ClNO2","Molecular Weight":229.7,"Monoisotopic Mass":229.0869565,Charge:0,"Easy Name":"2, 5-Dimethoxy-4-chloroamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C11Cl1H16N1O2"},549037:{PUBCHEM:{CID:"549037","Compound Complexity":79.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Nona-4,5-diene","IUPAC Name CAS-like Style":"Nona-4,5-diene","IUPAC Name Markup":"Nona-4,5-diene","IUPAC Name Preferred":"Nona-4,5-diene","IUPAC Name Systematic":"Nona-4,5-diene","IUPAC Name Traditional":"Nona-4,5-diene",InChI:"1S/C9H16/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3",InChIKey:"NYLHDUHTALIPLY-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":124.12520052,"Molecular Formula":"C9H16","Molecular Weight":124.22,"Monoisotopic Mass":124.12520052,Charge:0,"Easy Name":"4, 5-Nonadiene","Easy Category":"Diene"},HSDB:{},ReducedFormula:"C9H16"},549311:{PUBCHEM:{CID:"549311","Compound Complexity":94.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Nona-2,3-diene","IUPAC Name CAS-like Style":"Nona-2,3-diene","IUPAC Name Markup":"Nona-2,3-diene","IUPAC Name Preferred":"Nona-2,3-diene","IUPAC Name Systematic":"Nona-2,3-diene","IUPAC Name Traditional":"Nona-2,3-diene",InChI:"1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,7H,4,6,8-9H2,1-2H3",InChIKey:"QPYQHAPIBCQICN-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":124.12520052,"Molecular Formula":"C9H16","Molecular Weight":124.22,"Monoisotopic Mass":124.12520052,Charge:0,"Easy Name":"2, 3-Nonadiene","Easy Category":"Diene"},HSDB:{},ReducedFormula:"C9H16"},550318:{PUBCHEM:{CID:"550318","Compound Complexity":74,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1,2-diethylcyclohexane","IUPAC Name CAS-like Style":"1,2-diethylcyclohexane","IUPAC Name Markup":"1,2-diethylcyclohexane","IUPAC Name Preferred":"1,2-diethylcyclohexane","IUPAC Name Systematic":"1,2-diethylcyclohexane","IUPAC Name Traditional":"1,2-diethylcyclohexane",InChI:"1S/C10H20/c1-3-9-7-5-6-8-10(9)4-2/h9-10H,3-8H2,1-2H3",InChIKey:"GQDRGBVPGCYTNU-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":140.15650064,"Molecular Formula":"C10H20","Molecular Weight":140.27,"Monoisotopic Mass":140.15650064,Charge:0,"Easy Name":"1, 2-Diethylcyclohexane","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C10H20"},557590:{PUBCHEM:{CID:"557590","Compound Complexity":142,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"1,2,3,6-tetrahydropyridine-2-carboxylic acid","IUPAC Name CAS-like Style":"1,2,3,6-tetrahydropyridine-2-carboxylic acid","IUPAC Name Markup":"1,2,3,6-tetrahydropyridine-2-carboxylic acid","IUPAC Name Preferred":"1,2,3,6-tetrahydropyridine-2-carboxylic acid","IUPAC Name Systematic":"1,2,3,6-tetrahydropyridine-2-carboxylic acid","IUPAC Name Traditional":"1,2,3,6-tetrahydropyridine-2-carboxylic acid",InChI:"1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)",InChIKey:"YCQPUTODZKESPK-UHFFFAOYSA-N","Log P":-2.2,"Exact Mass":127.063328534,"Molecular Formula":"C6H9NO2","Molecular Weight":127.14,"Monoisotopic Mass":127.063328534,Charge:0,"Easy Name":"Baikiain","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C6H9N1O2"},557758:{PUBCHEM:{CID:"557758","Compound Complexity":268,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-(3-oxo-2-pent-2-enyl-cyclopentyl)acetic acid","IUPAC Name CAS-like Style":"2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid","IUPAC Name Markup":"2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid","IUPAC Name Preferred":"2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid","IUPAC Name Systematic":"2-(3-oxidanylidene-2-pent-2-enyl-cyclopentyl)ethanoic acid","IUPAC Name Traditional":"2-(3-keto-2-pent-2-enyl-cyclopentyl)acetic acid",InChI:"1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)",InChIKey:"ZNJFBWYDHIGLCU-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":210.12559444,"Molecular Formula":"C12H18O3","Molecular Weight":210.27,"Monoisotopic Mass":210.12559444,Charge:0,"Easy Name":"2- (3-oxo-2-pent-2-enylcyclopentyl)acetic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H18O3"},559314:{PUBCHEM:{CID:"559314","Compound Complexity":125,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"3-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"3-hydroxy-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"3-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"3-hydroxypyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"3-oxidanylpyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"3-hydroxyproline",InChI:"1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)",InChIKey:"BJBUEDPLEOHJGE-UHFFFAOYSA-N","Log P":-3.2,"Exact Mass":131.058243153,"Molecular Formula":"C5H9NO3","Molecular Weight":131.13,"Monoisotopic Mass":131.058243153,Charge:0,"Easy Name":"3-Hydroxyproline","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C5H9N1O3"},584568:{PUBCHEM:{CID:"584568","Compound Complexity":97,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,4-dithiazole-3-thione","IUPAC Name CAS-like Style":"1,2,4-dithiazole-3-thione","IUPAC Name Markup":"1,2,4-dithiazole-3-thione","IUPAC Name Preferred":"1,2,4-dithiazole-3-thione","IUPAC Name Systematic":"1,2,4-dithiazole-3-thione","IUPAC Name Traditional":"1,2,4-dithiazole-3-thione",InChI:"1S/C2HNS3/c4-2-3-1-5-6-2/h1H",InChIKey:"TWQVZFCNOMQQQV-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":134.92711256,"Molecular Formula":"C2HNS3","Molecular Weight":135.2,"Monoisotopic Mass":134.92711256,Charge:0,"Easy Name":"1, 2, 4-Dithiazole-3-thione","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C2H1N1S3"},593006:{PUBCHEM:{CID:"593006","Compound Complexity":116,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2,4-dimethoxyphenol","IUPAC Name CAS-like Style":"2,4-dimethoxyphenol","IUPAC Name Markup":"2,4-dimethoxyphenol","IUPAC Name Preferred":"2,4-dimethoxyphenol","IUPAC Name Systematic":"2,4-dimethoxyphenol","IUPAC Name Traditional":"2,4-dimethoxyphenol",InChI:"1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3",InChIKey:"MNVMYTVDDOXZLS-UHFFFAOYSA-N","Log P":.8,"Exact Mass":154.06299418,"Molecular Formula":"C8H10O3","Molecular Weight":154.16,"Monoisotopic Mass":154.06299418,Charge:0,"Easy Name":"2, 4-Dimethoxyphenol","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C8H10O3"},602804:{PUBCHEM:{CID:"602804","Compound Complexity":201,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"1-(2,3,5-trimethoxyphenyl)propan-2-amine","IUPAC Name CAS-like Style":"1-(2,3,5-trimethoxyphenyl)-2-propanamine","IUPAC Name Markup":"1-(2,3,5-trimethoxyphenyl)propan-2-amine","IUPAC Name Preferred":"1-(2,3,5-trimethoxyphenyl)propan-2-amine","IUPAC Name Systematic":"1-(2,3,5-trimethoxyphenyl)propan-2-amine","IUPAC Name Traditional":"[1-methyl-2-(2,3,5-trimethoxyphenyl)ethyl]amine",InChI:"1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)7-11(15-3)12(9)16-4/h6-8H,5,13H2,1-4H3",InChIKey:"MJIBJXKJBRLSQA-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":225.13649348,"Molecular Formula":"C12H19NO3","Molecular Weight":225.28,"Monoisotopic Mass":225.13649348,Charge:0,"Easy Name":"2, 3, 5-trimethoxyamphetamine","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12H19N1O3"},613552:{PUBCHEM:{CID:"613552","Compound Complexity":326,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"2-benzylidenebenzofuran-3-one","IUPAC Name CAS-like Style":"2-(phenylmethylene)-3-benzofuranone","IUPAC Name Markup":"2-benzylidene-1-benzofuran-3-one","IUPAC Name Preferred":"2-benzylidene-1-benzofuran-3-one","IUPAC Name Systematic":"2-(phenylmethylidene)-1-benzofuran-3-one","IUPAC Name Traditional":"2-benzalcoumaran-3-one",InChI:"1S/C15H10O2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-10H",InChIKey:"OMUOMODZGKSORV-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":222.068079562,"Molecular Formula":"C15H10O2","Molecular Weight":222.24,"Monoisotopic Mass":222.068079562,Charge:0,"Easy Name":"Aurone","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O2"},617218:{PUBCHEM:{CID:"617218","Compound Complexity":291,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"2-ethylanthracene-9,10-diol","IUPAC Name CAS-like Style":"2-ethylanthracene-9,10-diol","IUPAC Name Markup":"2-ethylanthracene-9,10-diol","IUPAC Name Preferred":"2-ethylanthracene-9,10-diol","IUPAC Name Systematic":"2-ethylanthracene-9,10-diol","IUPAC Name Traditional":"2-ethylanthracene-9,10-diol",InChI:"1S/C16H14O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9,17-18H,2H2,1H3",InChIKey:"JFWDRQJGRFPIIV-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":238.09937969,"Molecular Formula":"C16H14O2","Molecular Weight":238.28,"Monoisotopic Mass":238.09937969,Charge:0,"Easy Name":"2-Ethyl-9, 10-anthracenediol","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C16H14O2"},625355:{PUBCHEM:{CID:"625355","Compound Complexity":142,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,7-dibromonaphthalene","IUPAC Name CAS-like Style":"2,7-dibromonaphthalene","IUPAC Name Markup":"2,7-dibromonaphthalene","IUPAC Name Preferred":"2,7-dibromonaphthalene","IUPAC Name Systematic":"2,7-bis(bromanyl)naphthalene","IUPAC Name Traditional":"2,7-dibromonaphthalene",InChI:"1S/C10H6Br2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H",InChIKey:"ODJZWBLNJKNOJK-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":285.88158,"Molecular Formula":"C10H6Br2","Molecular Weight":285.96,"Monoisotopic Mass":283.88363,Charge:0,"Easy Name":"2, 7-Dibromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br2C10H6"},625356:{PUBCHEM:{CID:"625356","Compound Complexity":142,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,8-dibromonaphthalene","IUPAC Name CAS-like Style":"1,8-dibromonaphthalene","IUPAC Name Markup":"1,8-dibromonaphthalene","IUPAC Name Preferred":"1,8-dibromonaphthalene","IUPAC Name Systematic":"1,8-bis(bromanyl)naphthalene","IUPAC Name Traditional":"1,8-dibromonaphthalene",InChI:"1S/C10H6Br2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H",InChIKey:"DLXBGTIGAIESIG-UHFFFAOYSA-N","Log P":4.3,"Exact Mass":285.88158,"Molecular Formula":"C10H6Br2","Molecular Weight":285.96,"Monoisotopic Mass":283.88363,Charge:0,"Easy Name":"1, 8-Dibromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br2C10H6"},631189:{PUBCHEM:{CID:"631189","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diiodorhenium","IUPAC Name CAS-like Style":"Diiodorhenium","IUPAC Name Markup":"Diiodorhenium","IUPAC Name Preferred":"Diiodorhenium","IUPAC Name Systematic":"Bis(iodanyl)rhenium","IUPAC Name Traditional":"Diiodorhenium",InChI:"1S/2HI.Re/h2*1H;/q;;+2/p-2",InChIKey:"JOTMACCWJLESQR-UHFFFAOYSA-L","Exact Mass":440.7647,"Molecular Formula":"I2Re","Molecular Weight":440.02,"Monoisotopic Mass":440.7647,Charge:0,"Easy Name":"Diiodorhenium","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I2Re1"},636325:{PUBCHEM:{CID:"636325","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diiodoosmium","IUPAC Name CAS-like Style":"Diiodoosmium","IUPAC Name Markup":"Diiodoosmium","IUPAC Name Preferred":"Diiodoosmium","IUPAC Name Systematic":"Bis(iodanyl)osmium","IUPAC Name Traditional":"Diiodoosmium",InChI:"1S/2HI.Os/h2*1H;/q;;+2/p-2",InChIKey:"BDKVLMGMXJKHCQ-UHFFFAOYSA-L","Exact Mass":445.77042,"Molecular Formula":"I2Os","Molecular Weight":444,"Monoisotopic Mass":445.77042,Charge:0,"Easy Name":"Osmium (2+) diiodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I2Os1"},637090:{PUBCHEM:{CID:"637090","Compound Complexity":73.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(E)-but-2-enoic acid","IUPAC Name CAS-like Style":"(E)-2-butenoic acid","IUPAC Name Markup":"(E)-but-2-enoic acid","IUPAC Name Preferred":"(E)-but-2-enoic acid","IUPAC Name Systematic":"(E)-but-2-enoic acid","IUPAC Name Traditional":"Crotonic acid",InChI:"1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+",InChIKey:"LDHQCZJRKDOVOX-NSCUHMNNSA-N","Log P":.7,"Exact Mass":86.036779433,"Molecular Formula":"C4H6O2","Molecular Weight":86.09,"Monoisotopic Mass":86.036779433,Charge:0,"Easy Name":"Crotonic acid","Easy Category":"Fatty acid"},HSDB:{"Boiling Point":{Value:"185 °C"},"Color And Form":{Value:"MONOCLINIC NEEDLES OR PRISMS (FROM WATER OR PETROLEUM ETHER)"},Density:{Value:"Density = 1.018 at 15 °C/4 °C"},"Heat Of Vaporization":{Value:"13,252.2 gcal/gmole"},"Melting Point":{Value:"72 °C"},"NFPA Hazard Classification":{Value:"3-2-0"},"Refractive Index":{Value:"MAX ABSORPTION (ALC): 205 NM (LOG E= 4.20); INDEX OF REFRACTION: 1.4249 @ 77 °C/D; SADTLER REF NUMBER: 749 (IR, PRISM); 8091 (IR, GRATING); 247 (UV); 61 (NMR, VARIAN)"},Solubility:{Value:"VERY SOL IN WATER; SOL IN ETHER, ACETONE & IN HOT PETROLEUM ETHER"},Uses:{Value:"MFR OF COPOLYMERS WITH VINYL ACETATE USED IN LACQUERS & PAPER SIZING; MFR OF SOFTENING AGENTS FOR SYNTHETIC RUBBER; IN MEDICINAL CHEMISTRY, EG, MFR OF DL-THREONINE, VIT A"},"Vapor Density":{Value:"2.97 (air= 1)"},"Vapor Pressure":{Value:"24 Pa at 20 °C"}},ReducedFormula:"C4H6O2"},637234:{PUBCHEM:{CID:"637234","Compound Complexity":889,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid","IUPAC Name CAS-like Style":"(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid","IUPAC Name Markup":"(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid","IUPAC Name Preferred":"(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid","IUPAC Name Systematic":"(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,6a,6b,8a,11,11,14b-heptamethyl-3-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid","IUPAC Name Traditional":"(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid",InChI:"1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1",InChIKey:"BZXULBWGROURAF-IKNLXHIFSA-N","Log P":8.4,"Exact Mass":456.36034541,"Molecular Formula":"C30H48O3","Molecular Weight":456.7,"Monoisotopic Mass":456.36034541,Charge:0,"Easy Name":"Alpha-boswellic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C30H48O3"},637517:{PUBCHEM:{CID:"637517","Compound Complexity":234,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":15,"IUPAC Name Allowed":"(E)-octadec-9-enoic acid","IUPAC Name CAS-like Style":"(E)-9-octadecenoic acid","IUPAC Name Markup":"(E)-octadec-9-enoic acid","IUPAC Name Preferred":"(E)-octadec-9-enoic acid","IUPAC Name Systematic":"(E)-octadec-9-enoic acid","IUPAC Name Traditional":"Elaidic acid",InChI:"1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",InChIKey:"ZQPPMHVWECSIRJ-MDZDMXLPSA-N","Log P":6.5,"Exact Mass":282.25588034,"Molecular Formula":"C18H34O2","Molecular Weight":282.5,"Monoisotopic Mass":282.25588034,Charge:0,"Easy Name":"Elaidic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H34O2"},637541:{PUBCHEM:{CID:"637541","Compound Complexity":186,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-3-(3-hydroxyphenyl)prop-2-enoic acid","IUPAC Name CAS-like Style":"(E)-3-(3-hydroxyphenyl)-2-propenoic acid","IUPAC Name Markup":"(E)-3-(3-hydroxyphenyl)prop-2-enoic acid","IUPAC Name Preferred":"(E)-3-(3-hydroxyphenyl)prop-2-enoic acid","IUPAC Name Systematic":"(E)-3-(3-hydroxyphenyl)prop-2-enoic acid","IUPAC Name Traditional":"(E)-3-(3-hydroxyphenyl)acrylic acid",InChI:"1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",InChIKey:"KKSDGJDHHZEWEP-SNAWJCMRSA-N","Log P":1.8,"Exact Mass":164.047344117,"Molecular Formula":"C9H8O3","Molecular Weight":164.16,"Monoisotopic Mass":164.047344117,Charge:0,"Easy Name":"M-Coumaric acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C9H8O3"},637542:{PUBCHEM:{CID:"637542","Compound Complexity":178,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-3-(4-hydroxyphenyl)prop-2-enoic acid","IUPAC Name CAS-like Style":"(E)-3-(4-hydroxyphenyl)-2-propenoic acid","IUPAC Name Markup":"(E)-3-(4-hydroxyphenyl)prop-2-enoic acid","IUPAC Name Preferred":"(E)-3-(4-hydroxyphenyl)prop-2-enoic acid","IUPAC Name Systematic":"(E)-3-(4-hydroxyphenyl)prop-2-enoic acid","IUPAC Name Traditional":"(E)-3-(4-hydroxyphenyl)acrylic acid",InChI:"1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",InChIKey:"NGSWKAQJJWESNS-ZZXKWVIFSA-N","Log P":1.5,"Exact Mass":164.047344117,"Molecular Formula":"C9H8O3","Molecular Weight":164.16,"Monoisotopic Mass":164.047344117,Charge:0,"Easy Name":"P-Coumaric acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C9H8O3"},637566:{PUBCHEM:{CID:"637566","Compound Complexity":150,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(2E)-3,7-dimethylocta-2,6-dien-1-ol","IUPAC Name CAS-like Style":"(2E)-3,7-dimethyl-1-octa-2,6-dienol","IUPAC Name Markup":"(2E)-3,7-dimethylocta-2,6-dien-1-ol","IUPAC Name Preferred":"(2E)-3,7-dimethylocta-2,6-dien-1-ol","IUPAC Name Systematic":"(2E)-3,7-dimethylocta-2,6-dien-1-ol","IUPAC Name Traditional":"(2E)-3,7-dimethylocta-2,6-dien-1-ol",InChI:"1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",InChIKey:"GLZPCOQZEFWAFX-JXMROGBWSA-N","Log P":2.9,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":"Geraniol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"230 °C"},"Color And Form":{Value:"Colorless to pale-yellow, liquid oil"},Density:{Value:"0.8894 g/cu cm at 20 °C"},"Melting Point":{Value:"-15 °C"},"NFPA Hazard Classification":{Value:"2-1-0"},Odor:{Value:"Sweet rose odor"},"Refractive Index":{Value:"Index of refraction: 1.4710-1.4780 at 20 °C"},Solubility:{Value:"In water, 100 mg/L at 25 °C"},Taste:{Value:"Taste threshold values: Taste characteristics at 10 ppm; sweet floral rose, citrus with fruity, waxy nuances"},Uses:{Value:"For geraniol (USEPA/OPP Pesticide Code: 597501) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"3.0X10-2 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H18O1"},637599:{PUBCHEM:{CID:"637599","Compound Complexity":171,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R)-2-amino-5-ureido-pentanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-5-(carbamoylamino)pentanoic acid","IUPAC Name Markup":"(2R)-2-amino-5-(carbamoylamino)pentanoic acid","IUPAC Name Preferred":"(2R)-2-amino-5-(carbamoylamino)pentanoic acid","IUPAC Name Systematic":"(2R)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid","IUPAC Name Traditional":"(2R)-2-amino-5-ureido-valeric acid",InChI:"1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1",InChIKey:"RHGKLRLOHDJJDR-SCSAIBSYSA-N","Log P":-4.3,"Exact Mass":175.09569129,"Molecular Formula":"C6H13N3O3","Molecular Weight":175.19,"Monoisotopic Mass":175.09569129,Charge:0,"Easy Name":"D-Citrulline","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C6H13N3O3"},637758:{PUBCHEM:{CID:"637758","Compound Complexity":179,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Ethyl (E)-3-phenylprop-2-enoate","IUPAC Name CAS-like Style":"(E)-3-phenyl-2-propenoic acid ethyl ester","IUPAC Name Markup":"Ethyl (E)-3-phenylprop-2-enoate","IUPAC Name Preferred":"Ethyl (E)-3-phenylprop-2-enoate","IUPAC Name Systematic":"Ethyl (E)-3-phenylprop-2-enoate","IUPAC Name Traditional":"(E)-3-phenylacrylic acid ethyl ester",InChI:"1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+",InChIKey:"KBEBGUQPQBELIU-CMDGGOBGSA-N","Log P":3,"Exact Mass":176.08372963,"Molecular Formula":"C11H12O2","Molecular Weight":176.21,"Monoisotopic Mass":176.08372963,Charge:0,"Easy Name":"Ethyl cinnamate","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C11H12O2"},637760:{PUBCHEM:{CID:"637760","Compound Complexity":242,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-1,3-diphenylprop-2-en-1-one","IUPAC Name CAS-like Style":"(E)-1,3-diphenyl-2-propen-1-one","IUPAC Name Markup":"(E)-1,3-diphenylprop-2-en-1-one","IUPAC Name Preferred":"(E)-1,3-diphenylprop-2-en-1-one","IUPAC Name Systematic":"(E)-1,3-diphenylprop-2-en-1-one","IUPAC Name Traditional":"(E)-1,3-diphenylprop-2-en-1-one",InChI:"1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+",InChIKey:"DQFBYFPFKXHELB-VAWYXSNFSA-N","Log P":3.1,"Exact Mass":208.08881501,"Molecular Formula":"C15H12O","Molecular Weight":208.25,"Monoisotopic Mass":208.08881501,Charge:0,"Easy Name":" (E)-Chalcone","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O1"},637775:{PUBCHEM:{CID:"637775","Compound Complexity":249,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid","IUPAC Name CAS-like Style":"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid","IUPAC Name Markup":"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid","IUPAC Name Preferred":"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid","IUPAC Name Systematic":"(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoic acid","IUPAC Name Traditional":"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid",InChI:"1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",InChIKey:"PCMORTLOPMLEFB-ONEGZZNKSA-N","Log P":1.5,"Exact Mass":224.06847348,"Molecular Formula":"C11H12O5","Molecular Weight":224.21,"Monoisotopic Mass":224.06847348,Charge:0,"Easy Name":"Sinapinic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C11H12O5"},637866:{PUBCHEM:{CID:"637866","Compound Complexity":86.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclooctatetraene","IUPAC Name CAS-like Style":"Cyclooctatetraene","IUPAC Name Markup":"Cyclooctatetraene","IUPAC Name Preferred":"Cyclooctatetraene","IUPAC Name Systematic":"Cyclooctatetraene","IUPAC Name Traditional":"Cyclooctatetraene",InChI:"1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-",InChIKey:"KDUIUFJBNGTBMD-DLMDZQPMSA-N","Log P":3.1,"Exact Mass":104.062600258,"Molecular Formula":"C8H8","Molecular Weight":104.15,"Monoisotopic Mass":104.062600258,Charge:0,"Easy Name":"Cyclooctatetraene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C8H8"},637892:{PUBCHEM:{CID:"637892","Compound Complexity":56.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(Z)-1,3-dichlorobut-2-ene","IUPAC Name CAS-like Style":"(Z)-1,3-dichloro-2-butene","IUPAC Name Markup":"(Z)-1,3-dichlorobut-2-ene","IUPAC Name Preferred":"(Z)-1,3-dichlorobut-2-ene","IUPAC Name Systematic":"(Z)-1,3-bis(chloranyl)but-2-ene","IUPAC Name Traditional":"(Z)-1,3-dichlorobut-2-ene",InChI:"1S/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3/b4-2-",InChIKey:"WLIADPFXSACYLS-RQOWECAXSA-N","Log P":2.1,"Exact Mass":123.9846556,"Molecular Formula":"C4H6Cl2","Molecular Weight":124.99,"Monoisotopic Mass":123.9846556,Charge:0,"Easy Name":" (2Z)-1, 3-Dichloro-2-butene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"131 °C"},"Color And Form":{Value:"CLEAR TO STRAW-COLORED LIQUID"},Density:{Value:"1.161"},"NFPA Hazard Classification":{Value:"2-3-0"},"Refractive Index":{Value:"Index of refraction: 1.4692 @ 20 °C/D"},Solubility:{Value:"INSOL IN WATER; SOL IN MOST COMMON ORGANIC SOLVENTS"},Uses:{Value:"IN THE PESTICIDE, DDB"},"Vapor Density":{Value:"4.31 (Air = 1)"}},ReducedFormula:"C4Cl2H6"},637922:{PUBCHEM:{CID:"637922","Compound Complexity":30.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(E)-but-2-en-1-ol","IUPAC Name CAS-like Style":"(E)-2-buten-1-ol","IUPAC Name Markup":"(E)-but-2-en-1-ol","IUPAC Name Preferred":"(E)-but-2-en-1-ol","IUPAC Name Systematic":"(E)-but-2-en-1-ol","IUPAC Name Traditional":"(E)-but-2-en-1-ol",InChI:"1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+",InChIKey:"WCASXYBKJHWFMY-NSCUHMNNSA-N","Log P":.4,"Exact Mass":72.057514878,"Molecular Formula":"C4H8O","Molecular Weight":72.11,"Monoisotopic Mass":72.057514878,Charge:0,"Easy Name":"Trans-Crotonyl Alcohol","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C4H8O1"},637932:{PUBCHEM:{CID:"637932","Compound Complexity":95.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;benzene","IUPAC Name CAS-like Style":"Lithium;benzene","IUPAC Name Markup":"Lithium;benzene","IUPAC Name Preferred":"Lithium;benzene","IUPAC Name Systematic":"Lithium;benzene","IUPAC Name Traditional":"Lithium;benzene",InChI:"1S/C6H5.Li/c1-2-4-6-5-3-1;/h1-5H;/q-1;+1",InChIKey:"DBYQHFPBWKKZAT-UHFFFAOYSA-N","Exact Mass":84.0551286,"Molecular Formula":"C6H5Li","Molecular Weight":84.1,"Monoisotopic Mass":84.0551286,Charge:0,"Easy Name":"Phenyllithium","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C6H5Li1"},637960:{PUBCHEM:{CID:"637960","Compound Complexity":140,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,5-dibromonaphthalene","IUPAC Name CAS-like Style":"1,5-dibromonaphthalene","IUPAC Name Markup":"1,5-dibromonaphthalene","IUPAC Name Preferred":"1,5-dibromonaphthalene","IUPAC Name Systematic":"1,5-bis(bromanyl)naphthalene","IUPAC Name Traditional":"1,5-dibromonaphthalene",InChI:"1S/C10H6Br2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H",InChIKey:"CZYAFTZIQWCKOI-UHFFFAOYSA-N","Log P":4.8,"Exact Mass":285.88158,"Molecular Formula":"C10H6Br2","Molecular Weight":285.96,"Monoisotopic Mass":283.88363,Charge:0,"Easy Name":"1, 5-Dibromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br2C10H6"},637986:{PUBCHEM:{CID:"637986","Compound Complexity":99.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane","IUPAC Name CAS-like Style":"(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane","IUPAC Name Markup":"(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane","IUPAC Name Preferred":"(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane","IUPAC Name Systematic":"(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane","IUPAC Name Traditional":"(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane",InChI:"1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+",InChIKey:"XLRPYZSEQKXZAA-OCAPTIKFSA-N","Log P":1.7,"Exact Mass":125.12044949,"Molecular Formula":"C8H15N","Molecular Weight":125.21,"Monoisotopic Mass":125.12044949,Charge:0,"Easy Name":"Tropane","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C8H15N1"},638011:{PUBCHEM:{CID:"638011","Compound Complexity":171,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"(2E)-3,7-dimethylocta-2,6-dienal","IUPAC Name CAS-like Style":"(2E)-3,7-dimethylocta-2,6-dienal","IUPAC Name Markup":"(2E)-3,7-dimethylocta-2,6-dienal","IUPAC Name Preferred":"(2E)-3,7-dimethylocta-2,6-dienal","IUPAC Name Systematic":"(2E)-3,7-dimethylocta-2,6-dienal","IUPAC Name Traditional":"(2E)-3,7-dimethylocta-2,6-dienal",InChI:"1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+",InChIKey:"WTEVQBCEXWBHNA-JXMROGBWSA-N","Log P":3,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":"Geranial","Easy Category":"Aldehyde"},HSDB:{"Boiling Point":{Value:"229 °C"},"Color And Form":{Value:"Mobile pale yellow liquid"},Density:{Value:"0.891-0.897 at 15 °C"},"Melting Point":{Value:"Melting point <-10 °C."},"NFPA Hazard Classification":{Value:"2-1-0"},Odor:{Value:"Strong lemon odor"},pH:{Value:"ACID VALUE: 5.0 MAX"},"Refractive Index":{Value:"Index of refraction = 1.4860-1.4900 at 20 °C, not optically active"},Solubility:{Value:"Soluble in 5 volumes of 60% alcohol; soluble in all proportions of benzyl benzoate, diethyl phthalate, glycerin, propylene glycol, mineral oil, fixed oils, and 95% alcohol."},Taste:{Value:"Taste threshold values: Detection: 28 to 120 ppb; alpha-citral, 32 to 460 ppb; beta-citral, 30 to 460 ppb."},Uses:{Value:"Reported uses (FEMA, 1994): Alcoholic and nonalcoholic beverages, baked goods, cheese, chewing gum, condiment (relish), frozen dairy, gelatin (pudding), gravies, hard and soft candy, meat products."},"Vapor Pressure":{Value:"9.13X10-2 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H16O1"},638012:{PUBCHEM:{CID:"638012","Compound Complexity":197,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(5S)-2-isopropylidene-5-methyl-cyclohexanone","IUPAC Name CAS-like Style":"(5S)-5-methyl-2-propan-2-ylidene-1-cyclohexanone","IUPAC Name Markup":"(5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one","IUPAC Name Preferred":"(5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one","IUPAC Name Systematic":"(5S)-5-methyl-2-propan-2-ylidene-cyclohexan-1-one","IUPAC Name Traditional":"(5S)-2-isopropylidene-5-methyl-cyclohexanone",InChI:"1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m0/s1",InChIKey:"NZGWDASTMWDZIW-QMMMGPOBSA-N","Log P":2.8,"Exact Mass":152.12011514,"Molecular Formula":"C10H16O","Molecular Weight":152.23,"Monoisotopic Mass":152.12011514,Charge:0,"Easy Name":"L-Pulegone","Easy Category":"Ketone"},HSDB:{"Boiling Point":{Value:"224 °C"},"Color And Form":{Value:"Oil"},Density:{Value:"0.9323 at 20 °C"},Odor:{Value:"Pleasant odor, midway between peppermint and camphor"},"Refractive Index":{Value:"Index of refraction: 1.4894 at 20 °C/D"},Solubility:{Value:"In water, 276 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"0.123 mm Hg at 25 °C (extrapolated)"}},ReducedFormula:"C10H16O1"},638015:{PUBCHEM:{CID:"638015","Compound Complexity":522,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal","IUPAC Name CAS-like Style":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal","IUPAC Name Markup":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal","IUPAC Name Preferred":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal","IUPAC Name Systematic":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal","IUPAC Name Traditional":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",InChI:"1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",InChIKey:"NCYCYZXNIZJOKI-OVSJKPMPSA-N","Log P":6.2,"Exact Mass":284.21401552,"Molecular Formula":"C20H28O","Molecular Weight":284.4,"Monoisotopic Mass":284.21401552,Charge:0,"Easy Name":"All-trans-Retinal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C20H28O1"},638066:{PUBCHEM:{CID:"638066","Compound Complexity":29.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-hex-3-ene","IUPAC Name CAS-like Style":"(E)-3-hexene","IUPAC Name Markup":"(E)-hex-3-ene","IUPAC Name Preferred":"(E)-hex-3-ene","IUPAC Name Systematic":"(E)-hex-3-ene","IUPAC Name Traditional":"(E)-hex-3-ene",InChI:"1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+",InChIKey:"ZQDPJFUHLCOCRG-AATRIKPKSA-N","Log P":2.5,"Exact Mass":84.09390039,"Molecular Formula":"C6H12","Molecular Weight":84.16,"Monoisotopic Mass":84.09390039,Charge:0,"Easy Name":" (E)-3-Hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H12"},638067:{PUBCHEM:{CID:"638067","Compound Complexity":58.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-2,5-dimethylhex-3-ene","IUPAC Name CAS-like Style":"(E)-2,5-dimethyl-3-hexene","IUPAC Name Markup":"(E)-2,5-dimethylhex-3-ene","IUPAC Name Preferred":"(E)-2,5-dimethylhex-3-ene","IUPAC Name Systematic":"(E)-2,5-dimethylhex-3-ene","IUPAC Name Traditional":"(E)-2,5-dimethylhex-3-ene",InChI:"1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+",InChIKey:"KNCMKWVOMRUHKZ-AATRIKPKSA-N","Log P":3.2,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":" (3E)-2, 5-Dimethyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},638072:{PUBCHEM:{CID:"638072","Compound Complexity":578,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":15,"IUPAC Name Allowed":"(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene","IUPAC Name CAS-like Style":"(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene","IUPAC Name Markup":"(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene","IUPAC Name Preferred":"(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene","IUPAC Name Systematic":"(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene","IUPAC Name Traditional":"(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene",InChI:"1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+",InChIKey:"YYGNTYWPHWGJRM-AAJYLUCBSA-N","Log P":11.6,"Exact Mass":410.39125161,"Molecular Formula":"C30H50","Molecular Weight":410.7,"Monoisotopic Mass":410.39125161,Charge:0,"Easy Name":"Squalene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"421.3 °C"},"Color And Form":{Value:"Oil; crystals from ether/methanol (-5 °C)"},Density:{Value:"0.8584 g/cu cm at 20 °C"},"Melting Point":{Value:"-4.8 °C"},Odor:{Value:"Faint agreeable odor"},"Refractive Index":{Value:"Index of Refraction: 1.4990 at 20 °C"},Solubility:{Value:"Practically insoluble in water."},"Vapor Pressure":{Value:"6.3X10-6 mm Hg at 25 °C (est)"},Viscosity:{Value:"12 cP at 25 °C"}},ReducedFormula:"C30H50"},638079:{PUBCHEM:{CID:"638079","Compound Complexity":62.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclooctene","IUPAC Name CAS-like Style":"Cyclooctene","IUPAC Name Markup":"Cyclooctene","IUPAC Name Preferred":"Cyclooctene","IUPAC Name Systematic":"Cyclooctene","IUPAC Name Traditional":"Cyclooctene",InChI:"1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-",InChIKey:"URYYVOIYTNXXBN-UPHRSURJSA-N","Log P":3.5,"Exact Mass":110.10955045,"Molecular Formula":"C8H14","Molecular Weight":110.2,"Monoisotopic Mass":110.10955045,Charge:0,"Easy Name":"Cis-Cyclooctene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C8H14"},638088:{PUBCHEM:{CID:"638088","Compound Complexity":149,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-stilbene","IUPAC Name CAS-like Style":"(E)-stilbene","IUPAC Name Markup":"(E)-stilbene","IUPAC Name Preferred":"(E)-stilbene","IUPAC Name Systematic":"[(E)-2-phenylethenyl]benzene","IUPAC Name Traditional":"(E)-stilbene",InChI:"1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+",InChIKey:"PJANXHGTPQOBST-VAWYXSNFSA-N","Log P":4.8,"Exact Mass":180.09390039,"Molecular Formula":"C14H12","Molecular Weight":180.24,"Monoisotopic Mass":180.09390039,Charge:0,"Easy Name":" (E)-Stilbene","Easy Category":"Aromatic hydrocarbons"},HSDB:{"Boiling Point":{Value:"306-307 °C @ 760 mm Hg"},"Color And Form":{Value:"Crystals from 95% ethanol"},"Critical Temperature And Pressure":{Value:"Critical temperature = 982.13 °F; critical pressure = 397.40 psia"},Density:{Value:"0.9707"},"Heat Of Vaporization":{Value:"Heat of vaporization = 133.91 Btu/lb at 583.70 °F."},"Melting Point":{Value:"124 °C"},"Refractive Index":{Value:"Index of refraction: 1.6264 @ 17 °C"},Solubility:{Value:"Freely sol in benzene, ether; practically insol in water; sol in 90 parts cold alc, 13 parts boiling alc"},Uses:{Value:"Mfr of dyes and optical bleaches; crystals are used as phosphors and scintillators"},"Vapor Pressure":{Value:"8.81X10-4 mm Hg @ 25 °C"}},ReducedFormula:"C14H12"},638097:{PUBCHEM:{CID:"638097","Compound Complexity":35.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-hexan-2-ol","IUPAC Name CAS-like Style":"(2S)-2-hexanol","IUPAC Name Markup":"(2S)-hexan-2-ol","IUPAC Name Preferred":"(2S)-hexan-2-ol","IUPAC Name Systematic":"(2S)-hexan-2-ol","IUPAC Name Traditional":"(2S)-hexan-2-ol",InChI:"1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m0/s1",InChIKey:"QNVRIHYSUZMSGM-LURJTMIESA-N","Log P":1.8,"Exact Mass":102.10446507,"Molecular Formula":"C6H14O","Molecular Weight":102.17,"Monoisotopic Mass":102.10446507,Charge:0,"Easy Name":" (2S)-Hexan-2-ol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C6H14O1"},638099:{PUBCHEM:{CID:"638099","Compound Complexity":32.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R)-3-methylbutan-2-ol","IUPAC Name CAS-like Style":"(2R)-3-methyl-2-butanol","IUPAC Name Markup":"(2R)-3-methylbutan-2-ol","IUPAC Name Preferred":"(2R)-3-methylbutan-2-ol","IUPAC Name Systematic":"(2R)-3-methylbutan-2-ol","IUPAC Name Traditional":"(2R)-3-methylbutan-2-ol",InChI:"1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1",InChIKey:"MXLMTQWGSQIYOW-RXMQYKEDSA-N","Log P":1.3,"Exact Mass":88.08881501,"Molecular Formula":"C5H12O","Molecular Weight":88.15,"Monoisotopic Mass":88.08881501,Charge:0,"Easy Name":" (2R)-3-methylbutan-2-ol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O1"},638123:{PUBCHEM:{CID:"638123","Compound Complexity":72.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S)-2-bromobutanoic acid","IUPAC Name CAS-like Style":"(2S)-2-bromobutanoic acid","IUPAC Name Markup":"(2S)-2-bromobutanoic acid","IUPAC Name Preferred":"(2S)-2-bromobutanoic acid","IUPAC Name Systematic":"(2S)-2-bromanylbutanoic acid","IUPAC Name Traditional":"(2S)-2-bromobutyric acid",InChI:"1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1",InChIKey:"YAQLSKVCTLCIIE-VKHMYHEASA-N","Log P":1.4,"Exact Mass":165.96294,"Molecular Formula":"C4H7BrO2","Molecular Weight":167,"Monoisotopic Mass":165.96294,Charge:0,"Easy Name":" (2S)-2-Bromobutanoic acid","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C4H7O2"},638129:{PUBCHEM:{CID:"638129","Compound Complexity":168,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-2-methylbut-2-enedioic acid","IUPAC Name CAS-like Style":"(E)-2-methyl-2-butenedioic acid","IUPAC Name Markup":"(E)-2-methylbut-2-enedioic acid","IUPAC Name Preferred":"(E)-2-methylbut-2-enedioic acid","IUPAC Name Systematic":"(E)-2-methylbut-2-enedioic acid","IUPAC Name Traditional":"Mesaconic acid",InChI:"1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+",InChIKey:"HNEGQIOMVPPMNR-NSCUHMNNSA-N","Log P":-.1,"Exact Mass":130.026608672,"Molecular Formula":"C5H6O4","Molecular Weight":130.1,"Monoisotopic Mass":130.026608672,Charge:0,"Easy Name":" (2E)-2-Methyl-2-butenedioic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C5H6O4"},638186:{PUBCHEM:{CID:"638186","Compound Complexity":19.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(E)-1,2-dichloroethylene","IUPAC Name CAS-like Style":"(E)-1,2-dichloroethene","IUPAC Name Markup":"(E)-1,2-dichloroethene","IUPAC Name Preferred":"(E)-1,2-dichloroethene","IUPAC Name Systematic":"(E)-1,2-bis(chloranyl)ethene","IUPAC Name Traditional":"(E)-1,2-dichloroethylene",InChI:"1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+",InChIKey:"KFUSEUYYWQURPO-OWOJBTEDSA-N","Log P":1.9,"Exact Mass":95.9533555,"Molecular Formula":"C2H2Cl2","Molecular Weight":96.94,"Monoisotopic Mass":95.9533555,Charge:0,"Easy Name":"Trans-1, 2-Dichloroethene","Easy Category":"Organochlorides"},HSDB:{"Boiling Point":{Value:"47.64 °C"},"Color And Form":{Value:"Colorless, light liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 516.5 K; critical pressure: 5510 kPa"},Density:{Value:"1.2565 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"73.7 cal/g at BP"},"Melting Point":{Value:"-49.8 °C"},Odor:{Value:"Sweetish"},"Refractive Index":{Value:"Index of refraction: 1.4454 at 20 °C"},Solubility:{Value:"In water, 4.52X10+3 mg/L at 25 °C"},Uses:{Value:"... Used as a solvent for waxes, resins and acetylcellulose. It is also used in the extraction of rubber, as a refrigerant; in the manufacture of pharmaceuticals and artificial pearls; and in the extraction of oils and fats from fish and meat. /1,2-Dichloroethylene/"},"Vapor Density":{Value:"3.67 g/L at bp at 760 mm Hg"},"Vapor Pressure":{Value:"3.31X10+2 mm Hg at 25 °C"},Viscosity:{Value:"0.41 cP at 20 °C"}},ReducedFormula:"C2Cl2H2"},639661:{PUBCHEM:{CID:"639661","Compound Complexity":35.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-hex-2-ene","IUPAC Name CAS-like Style":"(E)-2-hexene","IUPAC Name Markup":"(E)-hex-2-ene","IUPAC Name Preferred":"(E)-hex-2-ene","IUPAC Name Systematic":"(E)-hex-2-ene","IUPAC Name Traditional":"(E)-hex-2-ene",InChI:"1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+",InChIKey:"RYPKRALMXUUNKS-HWKANZROSA-N","Log P":2.6,"Exact Mass":84.09390039,"Molecular Formula":"C6H12","Molecular Weight":84.16,"Monoisotopic Mass":84.09390039,Charge:0,"Easy Name":" (E)-hex-2-ene","Easy Category":"Alkene"},HSDB:{Uses:{Value:"Used in the polymer, surfactant and detergent industries"},"Vapor Pressure":{Value:"Vapor pressure= 173 mm Hg @ 25 °C"}},ReducedFormula:"C6H12"},639662:{PUBCHEM:{CID:"639662","Compound Complexity":44,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-hept-2-ene","IUPAC Name CAS-like Style":"(E)-2-heptene","IUPAC Name Markup":"(E)-hept-2-ene","IUPAC Name Preferred":"(E)-hept-2-ene","IUPAC Name Systematic":"(E)-hept-2-ene","IUPAC Name Traditional":"(E)-hept-2-ene",InChI:"1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+",InChIKey:"OTTZHAVKAVGASB-HWKANZROSA-N","Log P":3.2,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"Trans-2-Heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},639665:{PUBCHEM:{CID:"639665","Compound Complexity":515,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":6,"IUPAC Name Allowed":"(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name CAS-like Style":"(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one","IUPAC Name Markup":"(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name Preferred":"(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name Systematic":"(E)-3-(4-hydroxyphenyl)-1-[6-methoxy-3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]prop-2-en-1-one","IUPAC Name Traditional":"(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one",InChI:"1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",InChIKey:"ORXQGKIUCDPEAJ-YRNVUSSQSA-N","Log P":5.1,"Exact Mass":354.14672381,"Molecular Formula":"C21H22O5","Molecular Weight":354.4,"Monoisotopic Mass":354.14672381,Charge:0,"Easy Name":"Xanthohumol","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C21H22O5"},640591:{PUBCHEM:{CID:"640591","Compound Complexity":140,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,6-dibromonaphthalene","IUPAC Name CAS-like Style":"2,6-dibromonaphthalene","IUPAC Name Markup":"2,6-dibromonaphthalene","IUPAC Name Preferred":"2,6-dibromonaphthalene","IUPAC Name Systematic":"2,6-bis(bromanyl)naphthalene","IUPAC Name Traditional":"2,6-dibromonaphthalene",InChI:"1S/C10H6Br2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6H",InChIKey:"PJZDEYKZSZWFPX-UHFFFAOYSA-N","Log P":4.6,"Exact Mass":285.88158,"Molecular Formula":"C10H6Br2","Molecular Weight":285.96,"Monoisotopic Mass":283.88363,Charge:0,"Easy Name":"2, 6-Dibromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br2C10H6"},641630:{PUBCHEM:{CID:"641630","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2R,3R,4R,5S)-tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3R,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3R,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3R,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3R,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3R,4R,5S)-tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5+/m0/s1",InChIKey:"SRBFZHDQGSBBOR-NRXMZTRTSA-N","Log P":-2.5,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-L-Lyxopyranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},641631:{PUBCHEM:{CID:"641631","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2R,3S,4S,5R)-tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3S,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3S,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3S,4S,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3S,4S,5R)-tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m1/s1",InChIKey:"SRBFZHDQGSBBOR-MGCNEYSASA-N","Log P":-2.5,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Β-D-Lyxopyranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},641785:{PUBCHEM:{CID:"641785","Compound Complexity":346,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one","IUPAC Name CAS-like Style":"(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one","IUPAC Name Markup":"(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one","IUPAC Name Preferred":"(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one","IUPAC Name Systematic":"(E)-1-[2-methoxy-4,6-bis(oxidanyl)phenyl]-3-phenyl-prop-2-en-1-one","IUPAC Name Traditional":"(E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one",InChI:"1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+",InChIKey:"NYSZJNUIVUBQMM-BQYQJAHWSA-N","Log P":3.5,"Exact Mass":270.08920893,"Molecular Formula":"C16H14O4","Molecular Weight":270.28,"Monoisotopic Mass":270.08920893,Charge:0,"Easy Name":"Cardamomin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C16H14O4"},641811:{PUBCHEM:{CID:"641811","Compound Complexity":26.3,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Propane-2-thione","IUPAC Name CAS-like Style":"2-propanethione","IUPAC Name Markup":"Propane-2-thione","IUPAC Name Preferred":"Propane-2-thione","IUPAC Name Systematic":"Propane-2-thione","IUPAC Name Traditional":"Propane-2-thione",InChI:"1S/C3H6S/c1-3(2)4/h1-2H3",InChIKey:"JTNXQVCPQMQLHK-UHFFFAOYSA-N","Log P":.5,"Exact Mass":74.01902137,"Molecular Formula":"C3H6S","Molecular Weight":74.15,"Monoisotopic Mass":74.01902137,Charge:0,"Easy Name":"Thioacetone","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C3H6S1"},642182:{PUBCHEM:{CID:"642182","Compound Complexity":56.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"3,3-dichlorobut-1-ene","IUPAC Name CAS-like Style":"3,3-dichloro-1-butene","IUPAC Name Markup":"3,3-dichlorobut-1-ene","IUPAC Name Preferred":"3,3-dichlorobut-1-ene","IUPAC Name Systematic":"3,3-bis(chloranyl)but-1-ene","IUPAC Name Traditional":"3,3-dichlorobut-1-ene",InChI:"1S/C4H6Cl2/c1-3-4(2,5)6/h3H,1H2,2H3",InChIKey:"DKJAIBUVFONHMK-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":123.9846556,"Molecular Formula":"C4H6Cl2","Molecular Weight":124.99,"Monoisotopic Mass":123.9846556,Charge:0,"Easy Name":"3, 3-dichlorobut-1-ene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C4Cl2H6"},642197:{PUBCHEM:{CID:"642197","Compound Complexity":34.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-1,4-dichlorobut-2-ene","IUPAC Name CAS-like Style":"(E)-1,4-dichloro-2-butene","IUPAC Name Markup":"(E)-1,4-dichlorobut-2-ene","IUPAC Name Preferred":"(E)-1,4-dichlorobut-2-ene","IUPAC Name Systematic":"(E)-1,4-bis(chloranyl)but-2-ene","IUPAC Name Traditional":"(E)-1,4-dichlorobut-2-ene",InChI:"1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+",InChIKey:"FQDIANVAWVHZIR-OWOJBTEDSA-N","Log P":1.7,"Exact Mass":123.9846556,"Molecular Formula":"C4H6Cl2","Molecular Weight":124.99,"Monoisotopic Mass":123.9846556,Charge:0,"Easy Name":"Trans-1, 4-Dichlorobutene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"155.4 °C"},"Color And Form":{Value:"COLORLESS LIQUID"},"Critical Temperature And Pressure":{Value:"Critical temperature = 646 deg K; Critical pressure = 3.78X10+6 Pa"},Density:{Value:"1.183 @ 25 °C/4 °C"},"Heat Of Vaporization":{Value:"130 Btu/lb = 73 cal/g = 3.1x10+5 J/kg"},"Melting Point":{Value:"2 °C"},Odor:{Value:"DISTINCT ODOR"},"Refractive Index":{Value:"Index of refraction: 1.4871 @ 25 °C"},Solubility:{Value:"Sol in alcohol, ether, acetone, benzene"},Uses:{Value:"CHEMICAL INTERMEDIATE FOR HEXAMETHYLENEDIAMINE & CHLOROPRENE"},"Vapor Pressure":{Value:"3.43 mm Hg @ 25 °C"},Viscosity:{Value:"1.293X10-3 Pa-sec @ melting point"}},ReducedFormula:"C4Cl2H6"},642201:{PUBCHEM:{CID:"642201","Compound Complexity":20.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S)-1,2-dibromopropane","IUPAC Name CAS-like Style":"(2S)-1,2-dibromopropane","IUPAC Name Markup":"(2S)-1,2-dibromopropane","IUPAC Name Preferred":"(2S)-1,2-dibromopropane","IUPAC Name Systematic":"(2S)-1,2-bis(bromanyl)propane","IUPAC Name Traditional":"(2S)-1,2-dibromopropane",InChI:"1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m0/s1",InChIKey:"XFNJYAKDBJUJAJ-VKHMYHEASA-N","Log P":2.2,"Exact Mass":201.88158,"Molecular Formula":"C3H6Br2","Molecular Weight":201.89,"Monoisotopic Mass":199.88363,Charge:0,"Easy Name":" (S)-1, 2-Dibromopropane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C3H6"},642638:{PUBCHEM:{CID:"642638","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2S,3R,4R,5S)-tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3R,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3R,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3R,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3R,4R,5S)-oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3R,4R,5S)-tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m0/s1",InChIKey:"SRBFZHDQGSBBOR-RSJOWCBRSA-N","Log P":-2.5,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Β-L-Lyxopyranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},643139:{PUBCHEM:{CID:"643139","Compound Complexity":64.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-hex-3-enal","IUPAC Name CAS-like Style":"(E)-3-hexenal","IUPAC Name Markup":"(E)-hex-3-enal","IUPAC Name Preferred":"(E)-hex-3-enal","IUPAC Name Systematic":"(E)-hex-3-enal","IUPAC Name Traditional":"(E)-hex-3-enal",InChI:"1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+",InChIKey:"GXANMBISFKBPEX-ONEGZZNKSA-N","Log P":1.1,"Exact Mass":98.073164942,"Molecular Formula":"C6H10O","Molecular Weight":98.14,"Monoisotopic Mass":98.073164942,Charge:0,"Easy Name":"Trans-3-hexenal","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1"},643460:{PUBCHEM:{CID:"643460","Compound Complexity":123,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(2E,4E)-hexa-2,4-dienoic acid","IUPAC Name CAS-like Style":"(2E,4E)-hexa-2,4-dienoic acid","IUPAC Name Markup":"(2E,4E)-hexa-2,4-dienoic acid","IUPAC Name Preferred":"(2E,4E)-hexa-2,4-dienoic acid","IUPAC Name Systematic":"(2E,4E)-hexa-2,4-dienoic acid","IUPAC Name Traditional":"(2E,4E)-hexa-2,4-dienoic acid",InChI:"1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+",InChIKey:"WSWCOQWTEOXDQX-MQQKCMAXSA-N","Log P":1.3,"Exact Mass":112.052429497,"Molecular Formula":"C6H8O2","Molecular Weight":112.13,"Monoisotopic Mass":112.052429497,Charge:0,"Easy Name":"Sorbic acid","Easy Category":"Fatty acid"},HSDB:{"Boiling Point":{Value:"228 °C with decomposition."},"Color And Form":{Value:"Colorless needles or white powder"},Density:{Value:"1.204 g/cu cm at 19 °C"},"Melting Point":{Value:"134.5 °C"},Odor:{Value:"Relatively odorless"},Solubility:{Value:"In water, 1910 mg/L at 30 °C"},Taste:{Value:"Relatively tasteless"},Uses:{Value:"For sorbic acid (USEPA/OPP Pesticide Code: 75901) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"3.87 (Air = 1)"},"Vapor Pressure":{Value:"3.08X10-4 mm Hg at 25 °C (OECD Guideline 104, Vapor Pressure)"}},ReducedFormula:"C6H8O2"},643684:{PUBCHEM:{CID:"643684","Compound Complexity":261,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":15,"IUPAC Name Allowed":"(Z,12R)-12-hydroxyoctadec-9-enoic acid","IUPAC Name CAS-like Style":"(Z,12R)-12-hydroxy-9-octadecenoic acid","IUPAC Name Markup":"(Z,12R)-12-hydroxyoctadec-9-enoic acid","IUPAC Name Preferred":"(Z,12R)-12-hydroxyoctadec-9-enoic acid","IUPAC Name Systematic":"(Z,12R)-12-oxidanyloctadec-9-enoic acid","IUPAC Name Traditional":"(Z,12R)-12-hydroxyoctadec-9-enoic acid",InChI:"1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1",InChIKey:"WBHHMMIMDMUBKC-QJWNTBNXSA-N","Log P":5.7,"Exact Mass":298.25079495,"Molecular Formula":"C18H34O3","Molecular Weight":298.5,"Monoisotopic Mass":298.25079495,Charge:0,"Easy Name":"Ricinoleic acid","Easy Category":"Fatty acid"},HSDB:{"Boiling Point":{Value:"245 °C at 10 mm Hg"},"Color And Form":{Value:"Colorless to yellow viscous liquid"},Density:{Value:"0.940 at 27.4 °C/4 °C"},"Melting Point":{Value:"5.5 °C"},"Refractive Index":{Value:"Specific optical rotation: +6.67 deg at 22 °C/D; +7.15 deg at 26 °C/D (C = 5 in acetone); index of refraction: 1.4716 at 20 °C/D"},Solubility:{Value:"Soluble in alcohol, acetone, ether, chloroform"},Uses:{Value:"Noncosmetic uses of ricinoleic acid: turkey red oil, textile finishing, source of sebacic acid and heptanol, ricinoleate salts, and 12-hydroxystearic acid."},"Vapor Pressure":{Value:"4.49X10-3 mm Hg at 25 °C (est)"},Viscosity:{Value:"400 cSt at 25 °C"}},ReducedFormula:"C18H34O3"},643757:{PUBCHEM:{CID:"643757","Compound Complexity":251,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(Z)-prop-1-ene-1,2,3-tricarboxylic acid","IUPAC Name CAS-like Style":"(Z)-1-propene-1,2,3-tricarboxylic acid","IUPAC Name Markup":"(Z)-prop-1-ene-1,2,3-tricarboxylic acid","IUPAC Name Preferred":"(Z)-prop-1-ene-1,2,3-tricarboxylic acid","IUPAC Name Systematic":"(Z)-prop-1-ene-1,2,3-tricarboxylic acid","IUPAC Name Traditional":"(Z)-prop-1-ene-1,2,3-tricarboxylic acid",InChI:"1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-",InChIKey:"GTZCVFVGUGFEME-IWQZZHSRSA-N","Log P":-1,"Exact Mass":174.01643791,"Molecular Formula":"C6H6O6","Molecular Weight":174.11,"Monoisotopic Mass":174.01643791,Charge:0,"Easy Name":"Cis-Aconitic acid","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"LEAFLETS & PLATES FROM WATER"},"Melting Point":{Value:"194-195 °C (WITH DECOMP)"},Solubility:{Value:"1 G DISSOLVES IN 5.5 ML WATER @ 13 °C, 2 ML @ 25 °C; SOL IN 2 PARTS 88% ALCOHOL @ 12 °C; SLIGHTLY SOL IN ETHER"},Uses:{Value:"MFR ITACONIC ACID; AS PLASTICIZER FOR BUNA RUBBER & PLASTICS; USED AS TRIETHYL OR TRIBUTYL ESTER"}},ReducedFormula:"C6H6O6"},643783:{PUBCHEM:{CID:"643783","Compound Complexity":29.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-hex-3-ene","IUPAC Name CAS-like Style":"(Z)-3-hexene","IUPAC Name Markup":"(Z)-hex-3-ene","IUPAC Name Preferred":"(Z)-hex-3-ene","IUPAC Name Systematic":"(Z)-hex-3-ene","IUPAC Name Traditional":"(Z)-hex-3-ene",InChI:"1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-",InChIKey:"ZQDPJFUHLCOCRG-WAYWQWQTSA-N","Log P":2.5,"Exact Mass":84.09390039,"Molecular Formula":"C6H12","Molecular Weight":84.16,"Monoisotopic Mass":84.09390039,Charge:0,"Easy Name":"Cis-3-Hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H12"},643785:{PUBCHEM:{CID:"643785","Compound Complexity":42,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(3Z)-penta-1,3-diene","IUPAC Name CAS-like Style":"(3Z)-penta-1,3-diene","IUPAC Name Markup":"(3Z)-penta-1,3-diene","IUPAC Name Preferred":"(3Z)-penta-1,3-diene","IUPAC Name Systematic":"(3Z)-penta-1,3-diene","IUPAC Name Traditional":"(3Z)-penta-1,3-diene",InChI:"1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-",InChIKey:"PMJHHCWVYXUKFD-PLNGDYQASA-N","Log P":2.4,"Exact Mass":68.062600258,"Molecular Formula":"C5H8","Molecular Weight":68.12,"Monoisotopic Mass":68.062600258,Charge:0,"Easy Name":"Cis-Piperylene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C5H8"},643789:{PUBCHEM:{CID:"643789","Compound Complexity":30.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(Z)-but-2-en-1-ol","IUPAC Name CAS-like Style":"(Z)-2-buten-1-ol","IUPAC Name Markup":"(Z)-but-2-en-1-ol","IUPAC Name Preferred":"(Z)-but-2-en-1-ol","IUPAC Name Systematic":"(Z)-but-2-en-1-ol","IUPAC Name Traditional":"(Z)-but-2-en-1-ol",InChI:"1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2-",InChIKey:"WCASXYBKJHWFMY-IHWYPQMZSA-N","Log P":.4,"Exact Mass":72.057514878,"Molecular Formula":"C4H8O","Molecular Weight":72.11,"Monoisotopic Mass":72.057514878,Charge:0,"Easy Name":"Cis-crotyl alcohol","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C4H8O1"},643792:{PUBCHEM:{CID:"643792","Compound Complexity":73.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(Z)-but-2-enoic acid","IUPAC Name CAS-like Style":"(Z)-2-butenoic acid","IUPAC Name Markup":"(Z)-but-2-enoic acid","IUPAC Name Preferred":"(Z)-but-2-enoic acid","IUPAC Name Systematic":"(Z)-but-2-enoic acid","IUPAC Name Traditional":"Isocrotonic acid",InChI:"1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-",InChIKey:"LDHQCZJRKDOVOX-IHWYPQMZSA-N","Log P":.7,"Exact Mass":86.036779433,"Molecular Formula":"C4H6O2","Molecular Weight":86.09,"Monoisotopic Mass":86.036779433,Charge:0,"Easy Name":"Isocrotonic acid","Easy Category":"Carboxylic acid"},HSDB:{"Boiling Point":{Value:"185 °C"},"Color And Form":{Value:"MONOCLINIC NEEDLES OR PRISMS (FROM WATER OR PETROLEUM ETHER)"},Density:{Value:"Density = 1.018 at 15 °C/4 °C"},"Heat Of Vaporization":{Value:"13,252.2 gcal/gmole"},"Melting Point":{Value:"72 °C"},"NFPA Hazard Classification":{Value:"3-2-0"},"Refractive Index":{Value:"MAX ABSORPTION (ALC): 205 NM (LOG E= 4.20); INDEX OF REFRACTION: 1.4249 @ 77 °C/D; SADTLER REF NUMBER: 749 (IR, PRISM); 8091 (IR, GRATING); 247 (UV); 61 (NMR, VARIAN)"},Solubility:{Value:"VERY SOL IN WATER; SOL IN ETHER, ACETONE & IN HOT PETROLEUM ETHER"},Uses:{Value:"MFR OF COPOLYMERS WITH VINYL ACETATE USED IN LACQUERS & PAPER SIZING; MFR OF SOFTENING AGENTS FOR SYNTHETIC RUBBER; IN MEDICINAL CHEMISTRY, EG, MFR OF DL-THREONINE, VIT A"},"Vapor Density":{Value:"2.97 (air= 1)"},"Vapor Pressure":{Value:"24 Pa at 20 °C"}},ReducedFormula:"C4H6O2"},643833:{PUBCHEM:{CID:"643833","Compound Complexity":19.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(Z)-1,2-dichloroethylene","IUPAC Name CAS-like Style":"(Z)-1,2-dichloroethene","IUPAC Name Markup":"(Z)-1,2-dichloroethene","IUPAC Name Preferred":"(Z)-1,2-dichloroethene","IUPAC Name Systematic":"(Z)-1,2-bis(chloranyl)ethene","IUPAC Name Traditional":"(Z)-1,2-dichloroethylene",InChI:"1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-",InChIKey:"KFUSEUYYWQURPO-UPHRSURJSA-N","Log P":1.9,"Exact Mass":95.9533555,"Molecular Formula":"C2H2Cl2","Molecular Weight":96.94,"Monoisotopic Mass":95.9533555,Charge:0,"Easy Name":"Cis-1, 2-Dichloroethene","Easy Category":"Organochlorides"},HSDB:{"Boiling Point":{Value:"60 °C"},"Color And Form":{Value:"Liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 544.2 K; critical pressure: 6030 kPa"},Density:{Value:"1.2837 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"73.0 cal/g at 60.3 °C at 760 mm Hg"},"Melting Point":{Value:"-80.0 °C"},Odor:{Value:"Sweetish"},"Refractive Index":{Value:"Index of refraction: 1.4490 at 20 °C/D"},Solubility:{Value:"In water, 6.41X10+3 mg/L at 25 °C"},Uses:{Value:"Cis- and trans-isomers of 1,2-dichloroethylene have had only limited use as solvents and chemical intermediates. Neither of the isomers has developed wide industrial usage in the USA partly because of their flammability."},"Vapor Density":{Value:"3.54 g/L (at BP, 760 mm Hg)"},"Vapor Pressure":{Value:"2.00X10+2 mm Hg at 25 °C"},Viscosity:{Value:"0.48 cp at 20 °C (liquid)"}},ReducedFormula:"C2Cl2H2"},643835:{PUBCHEM:{CID:"643835","Compound Complexity":35.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-hex-2-ene","IUPAC Name CAS-like Style":"(Z)-2-hexene","IUPAC Name Markup":"(Z)-hex-2-ene","IUPAC Name Preferred":"(Z)-hex-2-ene","IUPAC Name Systematic":"(Z)-hex-2-ene","IUPAC Name Traditional":"(Z)-hex-2-ene",InChI:"1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-",InChIKey:"RYPKRALMXUUNKS-HYXAFXHYSA-N","Log P":2.6,"Exact Mass":84.09390039,"Molecular Formula":"C6H12","Molecular Weight":84.16,"Monoisotopic Mass":84.09390039,Charge:0,"Easy Name":"Cis-2-Hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H12"},643836:{PUBCHEM:{CID:"643836","Compound Complexity":44,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(Z)-hept-2-ene","IUPAC Name CAS-like Style":"(Z)-2-heptene","IUPAC Name Markup":"(Z)-hept-2-ene","IUPAC Name Preferred":"(Z)-hept-2-ene","IUPAC Name Systematic":"(Z)-hept-2-ene","IUPAC Name Traditional":"(Z)-hept-2-ene",InChI:"1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3-",InChIKey:"OTTZHAVKAVGASB-HYXAFXHYSA-N","Log P":3.2,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"Cis-2-Heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},643911:{PUBCHEM:{CID:"643911","Compound Complexity":56.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(E)-1,3-dichlorobut-2-ene","IUPAC Name CAS-like Style":"(E)-1,3-dichloro-2-butene","IUPAC Name Markup":"(E)-1,3-dichlorobut-2-ene","IUPAC Name Preferred":"(E)-1,3-dichlorobut-2-ene","IUPAC Name Systematic":"(E)-1,3-bis(chloranyl)but-2-ene","IUPAC Name Traditional":"(E)-1,3-dichlorobut-2-ene",InChI:"1S/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3/b4-2+",InChIKey:"WLIADPFXSACYLS-DUXPYHPUSA-N","Log P":2.1,"Exact Mass":123.9846556,"Molecular Formula":"C4H6Cl2","Molecular Weight":124.99,"Monoisotopic Mass":123.9846556,Charge:0,"Easy Name":" (2E)-1, 3-Dichloro-2-butene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"131 °C"},"Color And Form":{Value:"CLEAR TO STRAW-COLORED LIQUID"},Density:{Value:"1.161"},"NFPA Hazard Classification":{Value:"2-3-0"},"Refractive Index":{Value:"Index of refraction: 1.4692 @ 20 °C/D"},Solubility:{Value:"INSOL IN WATER; SOL IN MOST COMMON ORGANIC SOLVENTS"},Uses:{Value:"IN THE PESTICIDE, DDB"},"Vapor Density":{Value:"4.31 (Air = 1)"}},ReducedFormula:"C4Cl2H6"},643941:{PUBCHEM:{CID:"643941","Compound Complexity":64.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(Z)-hex-3-enal","IUPAC Name CAS-like Style":"(Z)-3-hexenal","IUPAC Name Markup":"(Z)-hex-3-enal","IUPAC Name Preferred":"(Z)-hex-3-enal","IUPAC Name Systematic":"(Z)-hex-3-enal","IUPAC Name Traditional":"(Z)-hex-3-enal",InChI:"1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-",InChIKey:"GXANMBISFKBPEX-ARJAWSKDSA-N","Log P":1.1,"Exact Mass":98.073164942,"Molecular Formula":"C6H10O","Molecular Weight":98.14,"Monoisotopic Mass":98.073164942,Charge:0,"Easy Name":"Cis-3-hexenal","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1"},643950:{PUBCHEM:{CID:"643950","Compound Complexity":45.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(Z)-but-2-enal","IUPAC Name CAS-like Style":"(Z)-2-butenal","IUPAC Name Markup":"(Z)-but-2-enal","IUPAC Name Preferred":"(Z)-but-2-enal","IUPAC Name Systematic":"(Z)-but-2-enal","IUPAC Name Traditional":"(Z)-but-2-enal",InChI:"1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-",InChIKey:"MLUCVPSAIODCQM-IHWYPQMZSA-N","Log P":.5,"Exact Mass":70.041864813,"Molecular Formula":"C4H6O","Molecular Weight":70.09,"Monoisotopic Mass":70.041864813,Charge:0,"Easy Name":"Cis-Crotonaldehyde","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C4H6O1"},644019:{PUBCHEM:{CID:"644019","Compound Complexity":414,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol","IUPAC Name CAS-like Style":"2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol","IUPAC Name Markup":"2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol","IUPAC Name Preferred":"2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol","IUPAC Name Systematic":"2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol","IUPAC Name Traditional":"5-amyl-2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]resorcinol",InChI:"1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1",InChIKey:"QHMBSVQNZZTUGM-ZWKOTPCHSA-N","Log P":6.5,"Exact Mass":314.22458021,"Molecular Formula":"C21H30O2","Molecular Weight":314.5,"Monoisotopic Mass":314.22458021,Charge:0,"Easy Name":"Cannabidiol","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C21H30O2"},644077:{PUBCHEM:{CID:"644077","Compound Complexity":2070,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":14,"Rotatable Bond":19,"IUPAC Name Allowed":"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]pyrrolidine-2-carboxamide","IUPAC Name CAS-like Style":"(2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide","IUPAC Name Markup":"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide","IUPAC Name Preferred":"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide","IUPAC Name Systematic":"(2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide","IUPAC Name Traditional":"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-keto-ethyl)-10-(3-amino-3-keto-propyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaketo-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carbonyl]-N-[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]-4-guanidino-butyl]pyrrolidine-2-carboxamide",InChI:"1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",InChIKey:"KBZOIRJILGZLEJ-LGYYRGKSSA-N","Log P":-4.8,"Exact Mass":1083.43785495,"Molecular Formula":"C46H65N15O12S2","Molecular Weight":1084.2,"Monoisotopic Mass":1083.43785495,Charge:0,"Easy Name":"Vasopressin","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C46H65N15O12S2"},644111:{PUBCHEM:{CID:"644111","Compound Complexity":113,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(3S,4S)-1,3,4,5-tetrahydroxypentan-2-one","IUPAC Name CAS-like Style":"(3S,4S)-1,3,4,5-tetrahydroxy-2-pentanone","IUPAC Name Markup":"(3S,4S)-1,3,4,5-tetrahydroxypentan-2-one","IUPAC Name Preferred":"(3S,4S)-1,3,4,5-tetrahydroxypentan-2-one","IUPAC Name Systematic":"(3S,4S)-1,3,4,5-tetrakis(oxidanyl)pentan-2-one","IUPAC Name Traditional":"(3S,4S)-1,3,4,5-tetrahydroxypentan-2-one",InChI:"1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1",InChIKey:"ZAQJHHRNXZUBTE-UCORVYFPSA-N","Log P":-2.6,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"L-ribulose","Easy Category":"Monosaccharide"},HSDB:{},ReducedFormula:"C5H10O5"},644160:{PUBCHEM:{CID:"644160","Compound Complexity":104,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal","IUPAC Name CAS-like Style":"(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Markup":"(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Preferred":"(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Systematic":"(2R,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentanal","IUPAC Name Traditional":"(2R,3S,4R)-2,3,4,5-tetrahydroxyvaleraldehyde",InChI:"1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1",InChIKey:"PYMYPHUHKUWMLA-VPENINKCSA-N","Log P":-2.3,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"D-Xylose","Easy Category":"Aldopentoses"},HSDB:{"Color And Form":{Value:"Monoclinic needles or prisms"},Density:{Value:"1.525 @ 20 °C/4 °C"},"Melting Point":{Value:"153-154 °C"},Solubility:{Value:"1 g dissolves in 0.8 ml water; sol in pyridine & hot alc"},Taste:{Value:"Very sweet"},Uses:{Value:"In tanning, dyeing, & as diabetic food"}},ReducedFormula:"C5H10O5"},656668:{PUBCHEM:{CID:"656668","Compound Complexity":933,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"O5-[(3R)-1-benzyl-3-piperidyl] O3-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name CAS-like Style":"(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester","IUPAC Name Markup":"5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Preferred":"5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Systematic":"O3-methyl O5-[(3R)-1-(phenylmethyl)piperidin-3-yl] (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Traditional":"(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[(3R)-1-benzyl-3-piperidyl] ester O3-methyl ester",InChI:"1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m1/s1",InChIKey:"QZVNQOLPLYWLHQ-ZEQKJWHPSA-N","Log P":4.6,"Exact Mass":505.22128573,"Molecular Formula":"C28H31N3O6","Molecular Weight":505.6,"Monoisotopic Mass":505.22128573,Charge:0,"Easy Name":"Benidipine","Easy Category":"Calcium channel blockers"},HSDB:{},ReducedFormula:"C28H31N3O6"},657014:{PUBCHEM:{CID:"657014","Compound Complexity":185,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,4R)-1,7,7-trimethylnorbornan-2-ol","IUPAC Name CAS-like Style":"(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanol","IUPAC Name Markup":"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Preferred":"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Systematic":"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Traditional":"(1R,4R)-1,7,7-trimethylnorbornan-2-ol",InChI:"1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8?,10+/m1/s1",InChIKey:"DTGKSKDOIYIVQL-SHTILUHOSA-N","Log P":2.7,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":" (+)-Borneol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"212 °C"},"Color And Form":{Value:"White to off-white crystals"},"Melting Point":{Value:"202 °C"},"NFPA Hazard Classification":{Value:"2-2-0"},Odor:{Value:"Piney, camphor-like odor"},Solubility:{Value:"In water, 738 mg/L at 25 °C"},Taste:{Value:"Burning taste somewhat reminiscent of mint"},Uses:{Value:"In flavors and fragrances; in the manufacture of its esters."},"Vapor Pressure":{Value:"5.02X10-2 mm Hg at 25 °C"}},ReducedFormula:"C10H18O1"},657262:{PUBCHEM:{CID:"657262","Compound Complexity":281,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"1-anilino-3-phenylimino-thiourea","IUPAC Name CAS-like Style":"1-anilino-3-phenyliminothiourea","IUPAC Name Markup":"1-anilino-3-phenyliminothiourea","IUPAC Name Preferred":"1-anilino-3-phenyliminothiourea","IUPAC Name Systematic":"1-phenylazanyl-3-phenylimino-thiourea","IUPAC Name Traditional":"1-anilino-3-phenylimino-thiourea",InChI:"1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)",InChIKey:"UOFGSWVZMUXXIY-UHFFFAOYSA-N","Log P":4.2,"Exact Mass":256.07826758,"Molecular Formula":"C13H12N4S","Molecular Weight":256.33,"Monoisotopic Mass":256.07826758,Charge:0,"Easy Name":"Dithizone","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C13H12N4S1"},688597:{PUBCHEM:{CID:"688597","Compound Complexity":258,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name CAS-like Style":"(Z)-2-methyl-4-(7H-purin-6-ylamino)-2-buten-1-ol","IUPAC Name Markup":"(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name Preferred":"(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name Systematic":"(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol","IUPAC Name Traditional":"(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol",InChI:"1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-",InChIKey:"UZKQTCBAMSWPJD-UQCOIBPSSA-N","Log P":.7,"Exact Mass":219.11201006,"Molecular Formula":"C10H13N5O","Molecular Weight":219.24,"Monoisotopic Mass":219.11201006,Charge:0,"Easy Name":"Cis-zeatin","Easy Category":"Cytokinin"},HSDB:{},ReducedFormula:"C10H13N5O1"},689043:{PUBCHEM:{CID:"689043","Compound Complexity":212,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid","IUPAC Name CAS-like Style":"(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid","IUPAC Name Markup":"(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid","IUPAC Name Preferred":"(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid","IUPAC Name Systematic":"(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid","IUPAC Name Traditional":"(E)-3-(3,4-dihydroxyphenyl)acrylic acid",InChI:"1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",InChIKey:"QAIPRVGONGVQAS-DUXPYHPUSA-N","Log P":1.2,"Exact Mass":180.042258736,"Molecular Formula":"C9H8O4","Molecular Weight":180.16,"Monoisotopic Mass":180.042258736,Charge:0,"Easy Name":"Caffeic acid","Easy Category":"Phenolic acid"},HSDB:{"Color And Form":{Value:"Yellow crystals from concentrated aqueous solutions. Alkaline solns turn from yellow to orange."},"Melting Point":{Value:"Decomposes at 223-225 °C (Softens at 194 °C)."},Solubility:{Value:"Sparingly soluble in cold water. Freely soluble in hot water, cold alcohol."},Uses:{Value:"Caffeic acid is not know to be a significant commercial product. It is available as the trans isomer in research quantities at purities ranging from 97% to greater than 99%; the cis isomer of caffeic acid is not available commercially."}},ReducedFormula:"C9H8O4"},700672:{PUBCHEM:{CID:"700672","Compound Complexity":282,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1R,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name CAS-like Style":"(1R,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Markup":"(1R,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Preferred":"(1R,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Systematic":"(1R,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Traditional":"(1R,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid",InChI:"1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10-/m0/s1",InChIKey:"LSPHULWDVZXLIL-WKEGUHRASA-N","Log P":1.3,"Exact Mass":200.10485899,"Molecular Formula":"C10H16O4","Molecular Weight":200.23,"Monoisotopic Mass":200.10485899,Charge:0,"Easy Name":"L-Isocamphoric acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O4"},720071:{PUBCHEM:{CID:"720071","Compound Complexity":466,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine","IUPAC Name CAS-like Style":"N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine","IUPAC Name Markup":"N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine","IUPAC Name Preferred":"N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine","IUPAC Name Systematic":"N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine","IUPAC Name Traditional":"(1,4-diphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-ylidene)-phenyl-amine",InChI:"1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H",InChIKey:"CWGBFIRHYJNILV-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":312.13749653,"Molecular Formula":"C20H16N4","Molecular Weight":312.4,"Monoisotopic Mass":312.13749653,Charge:0,"Easy Name":"Nitron","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C20H16N4"},736186:{PUBCHEM:{CID:"736186","Compound Complexity":224,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid","IUPAC Name CAS-like Style":"(E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid","IUPAC Name Markup":"(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid","IUPAC Name Preferred":"(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid","IUPAC Name Systematic":"(E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoic acid","IUPAC Name Traditional":"(E)-3-(3-hydroxy-4-methoxy-phenyl)acrylic acid",InChI:"1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",InChIKey:"QURCVMIEKCOAJU-HWKANZROSA-N","Log P":1.5,"Exact Mass":194.0579088,"Molecular Formula":"C10H10O4","Molecular Weight":194.18,"Monoisotopic Mass":194.0579088,Charge:0,"Easy Name":"Hesperetic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C10H10O4"},736804:{PUBCHEM:{CID:"736804","Compound Complexity":196,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1S,2S)-3-methylenecyclopropane-1,2-dicarboxylic acid","IUPAC Name CAS-like Style":"(1S,2S)-3-methylenecyclopropane-1,2-dicarboxylic acid","IUPAC Name Markup":"(1S,2S)-3-methylidenecyclopropane-1,2-dicarboxylic acid","IUPAC Name Preferred":"(1S,2S)-3-methylidenecyclopropane-1,2-dicarboxylic acid","IUPAC Name Systematic":"(1S,2S)-3-methylidenecyclopropane-1,2-dicarboxylic acid","IUPAC Name Traditional":"(1S,2S)-3-methylenecyclopropane-1,2-dicarboxylic acid",InChI:"1S/C6H6O4/c1-2-3(5(7)8)4(2)6(9)10/h3-4H,1H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1",InChIKey:"XZVHROKAQFFOCA-QWWZWVQMSA-N","Log P":-.5,"Exact Mass":142.026608672,"Molecular Formula":"C6H6O4","Molecular Weight":142.11,"Monoisotopic Mass":142.026608672,Charge:0,"Easy Name":"Feist's acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H6O4"},969516:{PUBCHEM:{CID:"969516","Compound Complexity":507,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":8,"IUPAC Name Allowed":"(1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione","IUPAC Name CAS-like Style":"(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione","IUPAC Name Markup":"(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione","IUPAC Name Preferred":"(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione","IUPAC Name Systematic":"(1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione","IUPAC Name Traditional":"(1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione",InChI:"1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+",InChIKey:"VFLDPWHFBUODDF-FCXRPNKRSA-N","Log P":3.2,"Exact Mass":368.12598836,"Molecular Formula":"C21H20O6","Molecular Weight":368.4,"Monoisotopic Mass":368.12598836,Charge:0,"Easy Name":"Curcumin","Easy Category":"Phenols"},HSDB:{"Color And Form":{Value:"Orange-yellow, crystal powder; gives brownish-red color with alkali; light-yellow color with acids"},"Melting Point":{Value:"183 °C"},Solubility:{Value:"In water, 3.12 mg/L at 25 °C (est)"},Uses:{Value:"For preparing curcuma paper, pH range 8-9. In the detection of boron."},"Vapor Pressure":{Value:"3.08X10-12 mm Hg at 25 °C (est)"}},ReducedFormula:"C21H20O6"},1152206:{PUBCHEM:{CID:"1152206","Compound Complexity":255,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid","IUPAC Name CAS-like Style":"(2R)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid","IUPAC Name Markup":"(2R)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid","IUPAC Name Preferred":"(2R)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid","IUPAC Name Systematic":"(2R)-4-(2-aminophenyl)-2-azanyl-4-oxidanylidene-butanoic acid","IUPAC Name Traditional":"(2R)-2-amino-4-(2-aminophenyl)-4-keto-butyric acid",InChI:"1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m1/s1",InChIKey:"YGPSJZOEDVAXAB-MRVPVSSYSA-N","Log P":-2.2,"Exact Mass":208.08479225,"Molecular Formula":"C10H12N2O3","Molecular Weight":208.21,"Monoisotopic Mass":208.08479225,Charge:0,"Easy Name":"D-Kynurenine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C10H12N2O3"},1201518:{PUBCHEM:{CID:"1201518","Compound Complexity":185,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1S,2R,4S)-1,7,7-trimethylnorbornan-2-ol","IUPAC Name CAS-like Style":"(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanol","IUPAC Name Markup":"(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Preferred":"(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Systematic":"(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Traditional":"(1S,2R,4S)-1,7,7-trimethylnorbornan-2-ol",InChI:"1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1",InChIKey:"DTGKSKDOIYIVQL-QXFUBDJGSA-N","Log P":2.7,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":" (1S, 3R, 4S)-4, 7, 7-trimethylbicyclo[2.2.1]heptan-3-ol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"212 °C"},"Color And Form":{Value:"White to off-white crystals"},"Melting Point":{Value:"202 °C"},"NFPA Hazard Classification":{Value:"2-2-0"},Odor:{Value:"Piney, camphor-like odor"},Solubility:{Value:"In water, 738 mg/L at 25 °C"},Taste:{Value:"Burning taste somewhat reminiscent of mint"},Uses:{Value:"In flavors and fragrances; in the manufacture of its esters."},"Vapor Pressure":{Value:"5.02X10-2 mm Hg at 25 °C"}},ReducedFormula:"C10H18O1"},1268111:{PUBCHEM:{CID:"1268111","Compound Complexity":250,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(2Z)-3-methoxy-5-methyl-4-oxo-hexa-2,5-dienoic acid","IUPAC Name CAS-like Style":"(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid","IUPAC Name Markup":"(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid","IUPAC Name Preferred":"(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid","IUPAC Name Systematic":"(2Z)-3-methoxy-5-methyl-4-oxidanylidene-hexa-2,5-dienoic acid","IUPAC Name Traditional":"(2Z)-4-keto-3-methoxy-5-methyl-hexa-2,5-dienoic acid",InChI:"1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4-",InChIKey:"VOUGEZYPVGAPBB-XQRVVYSFSA-N","Log P":.9,"Exact Mass":170.0579088,"Molecular Formula":"C8H10O4","Molecular Weight":170.16,"Monoisotopic Mass":170.0579088,Charge:0,"Easy Name":"Penicillic Acid","Easy Category":"Keto acids"},HSDB:{"Color And Form":{Value:"NEEDLES FROM PETROLEUM ETHER"},"Melting Point":{Value:"83-84 °C"},pH:{Value:"ACID REACTION, TURNS CONGO RED PAPER BLUE"},Solubility:{Value:"MODERATELY SOLUBLE IN COLD WATER (2 G/100 ML); FREELY SOLUBLE IN HOT WATER, ALCOHOL, ETHER, BENZENE, CHLOROFORM; SLIGHTLY SOLUBLE IN HOT PETROLEUM ETHER; PRACTICALLY INSOLUBLE IN PENTANE-HEXANE"},Uses:{Value:"PENICILLIC ACID HAS BEEN SHOWN TO HAVE ANTIVIRAL, ANTITUMOR, AND CYTOTOXIC EFFECTS."}},ReducedFormula:"C8H10O4"},1492348:{PUBCHEM:{CID:"1492348","Compound Complexity":262,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name CAS-like Style":"2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name Markup":"2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name Preferred":"2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name Systematic":"2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate","IUPAC Name Traditional":"Orotate",InChI:"1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1",InChIKey:"PXQPEWDEAKTCGB-UHFFFAOYSA-M","Log P":-.8,"Exact Mass":155.009281584,"Molecular Formula":"C5H3N2O4-","Molecular Weight":155.09,"Monoisotopic Mass":155.009281584,Charge:-1,"Easy Name":"Orotate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C5H3N2O4"},1548943:{PUBCHEM:{CID:"1548943","Compound Complexity":341,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":9,"IUPAC Name Allowed":"(E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide","IUPAC Name CAS-like Style":"(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide","IUPAC Name Markup":"(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide","IUPAC Name Preferred":"(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide","IUPAC Name Systematic":"(E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-non-6-enamide","IUPAC Name Traditional":"(E)-8-methyl-N-vanillyl-non-6-enamide",InChI:"1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+",InChIKey:"YKPUWZUDDOIDPM-SOFGYWHQSA-N","Log P":3.6,"Exact Mass":305.19909373,"Molecular Formula":"C18H27NO3","Molecular Weight":305.4,"Monoisotopic Mass":305.19909373,Charge:0,"Easy Name":"Capsaicin","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Pure dark red solid"},"Melting Point":{Value:"65 °C"},Odor:{Value:"Highly volatile with a pungent odor"},Solubility:{Value:"In water, 28.93 mg/L at 25 °C (est)"},Taste:{Value:"Burning taste detectable in 1 part in 100,000"},Uses:{Value:"For capsaicin (USEPA/OPP Pesticide Code: 070701) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.32X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C18H27N1O3"},1549016:{PUBCHEM:{CID:"1549016","Compound Complexity":146,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Decanedioate","IUPAC Name CAS-like Style":"Decanedioate","IUPAC Name Markup":"Decanedioate","IUPAC Name Preferred":"Decanedioate","IUPAC Name Systematic":"Decanedioate","IUPAC Name Traditional":"Sebacate",InChI:"1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)/p-2",InChIKey:"CXMXRPHRNRROMY-UHFFFAOYSA-L","Log P":3.4,"Exact Mass":200.10485899,"Molecular Formula":"C10H16O4-2","Molecular Weight":200.23,"Monoisotopic Mass":200.10485899,Charge:-2,"Easy Name":"Sebacate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2C10H16O4"},1549158:{PUBCHEM:{CID:"1549158","Compound Complexity":289,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"[4-[2-(diaminomethylene)hydrazino]phenyl]iminothiourea","IUPAC Name CAS-like Style":"[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea","IUPAC Name Markup":"[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea","IUPAC Name Preferred":"[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea","IUPAC Name Systematic":"1-[4-[2-[bis(azanyl)methylidene]hydrazinyl]phenyl]iminothiourea","IUPAC Name Traditional":"[4-[N'-(diaminomethylene)hydrazino]phenyl]iminothiourea",InChI:"1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,12H,(H2,11,16)(H4,9,10,14)",InChIKey:"ANZIOUQAFBXNHU-UHFFFAOYSA-N","Log P":.7,"Exact Mass":237.07966456,"Molecular Formula":"C8H11N7S","Molecular Weight":237.29,"Monoisotopic Mass":237.07966456,Charge:0,"Easy Name":"Ambazone","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C8H11N7S1"},1550607:{PUBCHEM:{CID:"1550607","Compound Complexity":469,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one","IUPAC Name CAS-like Style":"7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-benzopyran-2-one","IUPAC Name Markup":"7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one","IUPAC Name Preferred":"7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one","IUPAC Name Systematic":"7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one","IUPAC Name Traditional":"7-[(2E)-3,7-dimethylocta-2,6-dienoxy]coumarin",InChI:"1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+",InChIKey:"RSDDHGSKLOSQFK-RVDMUPIBSA-N","Log P":5.3,"Exact Mass":298.15689457,"Molecular Formula":"C19H22O3","Molecular Weight":298.4,"Monoisotopic Mass":298.15689457,Charge:0,"Easy Name":"Auraptene","Easy Category":"Coumarins"},HSDB:{},ReducedFormula:"C19H22O3"},1713086:{PUBCHEM:{CID:"1713086","Compound Complexity":194,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"(E)-9-oxodec-2-enoic acid","IUPAC Name CAS-like Style":"(E)-9-oxo-2-decenoic acid","IUPAC Name Markup":"(E)-9-oxodec-2-enoic acid","IUPAC Name Preferred":"(E)-9-oxodec-2-enoic acid","IUPAC Name Systematic":"(E)-9-oxidanylidenedec-2-enoic acid","IUPAC Name Traditional":"(E)-9-ketodec-2-enoic acid",InChI:"1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6+",InChIKey:"INJRDZMWIAYEMM-SOFGYWHQSA-N","Log P":1.6,"Exact Mass":184.10994437,"Molecular Formula":"C10H16O3","Molecular Weight":184.23,"Monoisotopic Mass":184.10994437,Charge:0,"Easy Name":"Trans-9-keto-2-decenoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O3"},1794427:{PUBCHEM:{CID:"1794427","Compound Complexity":534,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":6,"Rotatable Bond":5,"IUPAC Name Allowed":"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid","IUPAC Name CAS-like Style":"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid","IUPAC Name Markup":"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid","IUPAC Name Preferred":"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid","IUPAC Name Systematic":"(1S,3R,4R,5R)-3-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid","IUPAC Name Traditional":"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid",InChI:"1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",InChIKey:"CWVRJTMFETXNAD-JUHZACGLSA-N","Log P":-.4,"Exact Mass":354.09508216,"Molecular Formula":"C16H18O9","Molecular Weight":354.31,"Monoisotopic Mass":354.09508216,Charge:0,"Easy Name":"Chlorogenic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C16H18O9"},2723706:{PUBCHEM:{CID:"2723706","Compound Complexity":173,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-2,3-dichloro-4-oxo-but-2-enoic acid","IUPAC Name CAS-like Style":"(E)-2,3-dichloro-4-oxo-2-butenoic acid","IUPAC Name Markup":"(E)-2,3-dichloro-4-oxobut-2-enoic acid","IUPAC Name Preferred":"(E)-2,3-dichloro-4-oxobut-2-enoic acid","IUPAC Name Systematic":"(E)-2,3-bis(chloranyl)-4-oxidanylidene-but-2-enoic acid","IUPAC Name Traditional":"(E)-2,3-dichloro-4-keto-but-2-enoic acid",InChI:"1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2+",InChIKey:"LUMLZKVIXLWTCI-NSCUHMNNSA-N","Log P":1.2,"Exact Mass":167.9380993,"Molecular Formula":"C4H2Cl2O3","Molecular Weight":168.96,"Monoisotopic Mass":167.9380993,Charge:0,"Easy Name":" (2E)-2, 3-Dichloro-4-oxo-2-butenoic acid","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"Monoclinic prisms from ether and ligroin"},"Melting Point":{Value:"127 °C"},Solubility:{Value:"Soluble in chlorinated and oxygenated solvents"},Uses:{Value:"Used in the production of an active ingredient produced in the United States to make a herbicide for the control of a unique spectrum of broadleaf weeds and grasses..."},"Vapor Pressure":{Value:"1.0X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"C4Cl2H2O3"},2723787:{PUBCHEM:{CID:"2723787","Compound Complexity":308,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;tetraphenylboranuide","IUPAC Name CAS-like Style":"Sodium;tetraphenylboranuide","IUPAC Name Markup":"Sodium;tetraphenylboranuide","IUPAC Name Preferred":"Sodium;tetraphenylboranuide","IUPAC Name Systematic":"Sodium;tetraphenylboranuide","IUPAC Name Traditional":"Sodium;tetraphenylboranuide",InChI:"1S/C24H20B.Na/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1",InChIKey:"HFSRCEJMTLMDLI-UHFFFAOYSA-N","Exact Mass":342.1555751,"Molecular Formula":"C24H20BNa","Molecular Weight":342.2,"Monoisotopic Mass":342.1555751,Charge:0,"Easy Name":"Sodium tetraphenylborate","Easy Category":"Organoboron compounds"},HSDB:{},ReducedFormula:"B1C24H20Na1"},2723790:{PUBCHEM:{CID:"2723790","Compound Complexity":29,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Thiourea","IUPAC Name CAS-like Style":"Thiourea","IUPAC Name Markup":"Thiourea","IUPAC Name Preferred":"Thiourea","IUPAC Name Systematic":"Thiourea","IUPAC Name Traditional":"Thiourea",InChI:"1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)",InChIKey:"UMGDCJDMYOKAJW-UHFFFAOYSA-N","Log P":-.8,"Exact Mass":76.00951931,"Molecular Formula":"CH4N2S","Molecular Weight":76.12,"Monoisotopic Mass":76.00951931,Charge:0,"Easy Name":"Thiourea","Easy Category":"Organic compound"},HSDB:{"Boiling Point":{Value:"Decomposes at boiling point"},"Color And Form":{Value:"White solid which crystallizes in a rhombic bipyramidal structure"},"Critical Temperature And Pressure":{Value:"Critical temperature: 854 K (est); critical pressure: 8.23X10+6 Pa (est)"},Density:{Value:"1.405 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"6.0034X10+7 J/kmol at 454.15 K (est)"},"Melting Point":{Value:"176-178 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 1.42X10+5 mg/L at 25 °C"},Taste:{Value:"Bitter"},Uses:{Value:"For thiourea (USEPA/OPP Pesticide Code: 080201) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.41X10-7 mm Hg at 25 °C"}},ReducedFormula:"C1H4N2S1"},2723810:{PUBCHEM:{CID:"2723810","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;formate","IUPAC Name CAS-like Style":"Sodium;formate","IUPAC Name Markup":"Sodium;formate","IUPAC Name Preferred":"Sodium;formate","IUPAC Name Systematic":"Sodium;methanoate","IUPAC Name Traditional":"Sodium;formate",InChI:"1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",InChIKey:"HLBBKKJFGFRGMU-UHFFFAOYSA-M","Exact Mass":67.98742355,"Molecular Formula":"CHNaO2","Molecular Weight":68.007,"Monoisotopic Mass":67.98742355,Charge:0,"Easy Name":"Sodium formate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"COLORLESS MONOCLINIC CRYSTALS"},Density:{Value:"1.92 @ 20 °C"},"Melting Point":{Value:"253 °C"},Solubility:{Value:"SLIGHTLY SOLUBLE IN ALCOHOL, INSOL IN ETHER"},Uses:{Value:"IN ANALYTICAL CHEM AS PRECIPITANT FOR NOBLE METALS; BUFFERING OF STRONG MINERAL ACIDS TO HIGHER PH"}},ReducedFormula:"C1H1Na1O2"},2723922:{PUBCHEM:{CID:"2723922","Compound Complexity":6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;ethanolate","IUPAC Name CAS-like Style":"Sodium;ethanolate","IUPAC Name Markup":"Sodium;ethanolate","IUPAC Name Preferred":"Sodium;ethanolate","IUPAC Name Systematic":"Sodium;ethanolate","IUPAC Name Traditional":"Sodium;ethanolate",InChI:"1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1",InChIKey:"QDRKDTQENPPHOJ-UHFFFAOYSA-N","Exact Mass":68.02380906,"Molecular Formula":"C2H5NaO","Molecular Weight":68.05,"Monoisotopic Mass":68.02380906,Charge:0,"Easy Name":"Sodium ethoxide","Easy Category":"Alkoxide"},HSDB:{"Color And Form":{Value:"WHITE OR YELLOWISH POWDER"},Solubility:{Value:"SOL IN ABSOLUTE ALCOHOL"},Uses:{Value:"ORGANIC SYNTHESIS"}},ReducedFormula:"C2H5Na1O1"},2723923:{PUBCHEM:{CID:"2723923","Compound Complexity":7.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;formate","IUPAC Name CAS-like Style":"Ammonium;formate","IUPAC Name Markup":"Azanium;formate","IUPAC Name Preferred":"Azanium;formate","IUPAC Name Systematic":"Azanium;methanoate","IUPAC Name Traditional":"Ammonium;formate",InChI:"1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3",InChIKey:"VZTDIZULWFCMLS-UHFFFAOYSA-N","Exact Mass":63.032028405,"Molecular Formula":"CH5NO2","Molecular Weight":63.056,"Monoisotopic Mass":63.032028405,Charge:0,"Easy Name":"Ammonium formate","Easy Category":"Organic salt"},HSDB:{"Boiling Point":{Value:"180 °C DECOMP"},"Color And Form":{Value:"WHITE MONOCLINIC CRYSTALS"},Density:{Value:"1.280"},"Melting Point":{Value:"116 °C"},Solubility:{Value:"IN WATER: 102 G/100 CC @ 0 °C, 531 G/100 CC @ 80 °C; SOL IN ETHER, AMMONIA"},Uses:{Value:"CHEM ANAL TO PPT BASE METALS FROM SALTS OF NOBLE METALS"}},ReducedFormula:"C1H5N1O2"},2724049:{PUBCHEM:{CID:"2724049","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;carbanide","IUPAC Name CAS-like Style":"Lithium;carbanide","IUPAC Name Markup":"Lithium;carbanide","IUPAC Name Preferred":"Lithium;carbanide","IUPAC Name Systematic":"Lithium;carbanide","IUPAC Name Traditional":"Lithium;carbanide",InChI:"1S/CH3.Li/h1H3;/q-1;+1",InChIKey:"IHLVCKWPAMTVTG-UHFFFAOYSA-N","Exact Mass":22.03947853,"Molecular Formula":"CH3Li","Molecular Weight":22,"Monoisotopic Mass":22.03947853,Charge:0,"Easy Name":"Methyllithium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C1H3Li1"},2724141:{PUBCHEM:{CID:"2724141","Compound Complexity":116,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":12,"IUPAC Name Allowed":"Tetrabutylammonium;fluoride","IUPAC Name CAS-like Style":"Tetrabutylammonium;fluoride","IUPAC Name Markup":"Tetrabutylazanium;fluoride","IUPAC Name Preferred":"Tetrabutylazanium;fluoride","IUPAC Name Systematic":"Tetrabutylazanium;fluoride","IUPAC Name Traditional":"Tetrabutylammonium;fluoride",InChI:"1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",InChIKey:"FPGGTKZVZWFYPV-UHFFFAOYSA-M","Exact Mass":261.28317833,"Molecular Formula":"C16H36FN","Molecular Weight":261.46,"Monoisotopic Mass":261.28317833,Charge:0,"Easy Name":"Tetra-n-butylammonium fluoride","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C16F1H36N1"},2724251:{PUBCHEM:{CID:"2724251","Compound Complexity":127,"Hydrogen Bond Acceptor":36,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetraferric;triferrous;octadecacyanide","IUPAC Name CAS-like Style":"Iron(2+);iron(3+);octadecacyanide","IUPAC Name Markup":"Iron(2+);iron(3+);octadecacyanide","IUPAC Name Preferred":"Iron(2+);iron(3+);octadecacyanide","IUPAC Name Systematic":"Iron(2+);iron(3+);octadecacyanide","IUPAC Name Traditional":"Tetraferric;triferrous;octadecacyanide",InChI:"1S/18CN.7Fe/c18*1-2;;;;;;;/q18*-1;3*+2;4*+3",InChIKey:"DCYOBGZUOMKFPA-UHFFFAOYSA-N","Exact Mass":859.59988,"Molecular Formula":"C18Fe7N18","Molecular Weight":859.2,"Monoisotopic Mass":859.59988,Charge:0,"Easy Name":"Prussian blue","Easy Category":"Coordination compounds"},HSDB:{"Color And Form":{Value:"Dark blue powder"},Density:{Value:"1.80 g/cu cm"},Solubility:{Value:"Insoluble in dilute acid, organic solvents"},Uses:{Value:"Ferric hexacyanoferrate ... also known as insoluble Prussian blue (PB), is the active pharmaceutical ingredient (API) of Radiogardase which is the first approved drug product (DP) for treatment of thallium and radiocesium poisoning."}},ReducedFormula:"C18Fe7N18"},2724274:{PUBCHEM:{CID:"2724274","Compound Complexity":10,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Methanidylidynetungsten(1+)","IUPAC Name CAS-like Style":"Methanidylidynetungsten(1+)","IUPAC Name Markup":"Methanidylidynetungsten(1+)","IUPAC Name Preferred":"Methanidylidynetungsten(1+)","IUPAC Name Systematic":"Methanidylidynetungsten(1+)","IUPAC Name Traditional":"Methanidylidynetungsten(1+)",InChI:"1S/C.W/q-1;+1",InChIKey:"UONOETXJSWQNOL-UHFFFAOYSA-N","Exact Mass":195.950933,"Molecular Formula":"CW","Molecular Weight":195.9,"Monoisotopic Mass":195.950933,Charge:0,"Easy Name":"Tungsten (IV) carbide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"C1W1"},2724336:{PUBCHEM:{CID:"2724336","Compound Complexity":214,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-2-amino-3-sulfo-propanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-3-sulfopropanoic acid","IUPAC Name Markup":"(2S)-2-amino-3-sulfopropanoic acid","IUPAC Name Preferred":"(2S)-2-amino-3-sulfopropanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-3-sulfo-propanoic acid","IUPAC Name Traditional":"(2S)-2-amino-3-sulfo-propionic acid",InChI:"1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1",InChIKey:"XVOYSCVBGLVSOL-UWTATZPHSA-N","Log P":-4.5,"Exact Mass":169.0044935,"Molecular Formula":"C3H7NO5S","Molecular Weight":169.16,"Monoisotopic Mass":169.0044935,Charge:0,"Easy Name":"D-Cysteic acid","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C3H7N1O5S1"},2724385:{PUBCHEM:{CID:"2724385","Compound Complexity":1450,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":6,"Rotatable Bond":7,"IUPAC Name Allowed":"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name CAS-like Style":"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name Markup":"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name Preferred":"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name Systematic":"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","IUPAC Name Traditional":"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",InChI:"1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1",InChIKey:"LTMHDMANZUZIPE-PUGKRICDSA-N","Log P":1.3,"Exact Mass":780.42960674,"Molecular Formula":"C41H64O14","Molecular Weight":780.9,"Monoisotopic Mass":780.42960674,Charge:0,"Easy Name":"Digoxin","Easy Category":"Glycoside"},HSDB:{"Color And Form":{Value:"Colorless to white crystals, or white crystalline powder"},Density:{Value:"1.36 g/cu cm at 20 °C"},"Melting Point":{Value:"249 °C (decomposes)"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 64.8 mg/L at 25 °C"},Taste:{Value:"Bitter"},Uses:{Value:"MEDICATION"},"Vapor Pressure":{Value:"6.23X10-23 mm Hg at 25 °C (est)"}},ReducedFormula:"C41H64O14"},2724480:{PUBCHEM:{CID:"2724480","Compound Complexity":134,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"(3S)-3-hydroxy-4-(trimethylammonio)butanoate","IUPAC Name CAS-like Style":"(3S)-3-hydroxy-4-(trimethylammonio)butanoate","IUPAC Name Markup":"(3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate","IUPAC Name Preferred":"(3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate","IUPAC Name Systematic":"(3S)-3-oxidanyl-4-(trimethylazaniumyl)butanoate","IUPAC Name Traditional":"(3S)-3-hydroxy-4-(trimethylammonio)butyrate",InChI:"1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1",InChIKey:"PHIQHXFUZVPYII-LURJTMIESA-N","Log P":-.2,"Exact Mass":161.10519335,"Molecular Formula":"C7H15NO3","Molecular Weight":161.2,"Monoisotopic Mass":161.10519335,Charge:0,"Easy Name":"D-carnitine","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C7H15N1O3"},2724488:{PUBCHEM:{CID:"2724488","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(3S,4R,5R,6S)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(3S,4R,5R,6S)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1",InChIKey:"WQZGKKKJIJFFOK-ZZWDRFIYSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"L-Glucose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},2724537:{PUBCHEM:{CID:"2724537","Compound Complexity":19.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R)-butan-2-amine","IUPAC Name CAS-like Style":"(2R)-2-butanamine","IUPAC Name Markup":"(2R)-butan-2-amine","IUPAC Name Preferred":"(2R)-butan-2-amine","IUPAC Name Systematic":"(2R)-butan-2-amine","IUPAC Name Traditional":"[(1R)-1-methylpropyl]amine",InChI:"1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1",InChIKey:"BHRZNVHARXXAHW-SCSAIBSYSA-N","Log P":.6,"Exact Mass":73.08914936,"Molecular Formula":"C4H11N","Molecular Weight":73.14,"Monoisotopic Mass":73.08914936,Charge:0,"Easy Name":" (2R)-Butan-2-amine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C4H11N1"},2724691:{PUBCHEM:{CID:"2724691","Compound Complexity":207,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":16,"IUPAC Name Allowed":"Sodium;octadecanoate","IUPAC Name CAS-like Style":"Sodium;octadecanoate","IUPAC Name Markup":"Sodium;octadecanoate","IUPAC Name Preferred":"Sodium;octadecanoate","IUPAC Name Systematic":"Sodium;octadecanoate","IUPAC Name Traditional":"Sodium;stearate",InChI:"1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",InChIKey:"RYYKJJJTJZKILX-UHFFFAOYSA-M","Exact Mass":306.25347465,"Molecular Formula":"C18H35NaO2","Molecular Weight":306.5,"Monoisotopic Mass":306.25347465,Charge:0,"Easy Name":"Sodium stearate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"WHITE POWDER"},Odor:{Value:"SLIGHT, TALLOW-LIKE ODOR"},pH:{Value:"AQ SOLN IS STRONGLY ALKALINE, DUE TO HYDROLYSIS; ALC SOLN IS PRACTICALLY NEUTRAL"},Solubility:{Value:"SLOWLY SOL IN COLD WATER OR COLD ALC; FREELY SOL IN HOT SOLVENTS"},Uses:{Value:"IN GLYCEROL SUPPOSITORIES; ALSO IN TOOTHPASTE; AS WATERPROOFING AGENT; PHARMACEUTIC AID (EMULSIFYING & STIFFENING AGENT)"}},ReducedFormula:"C18H35Na1O2"},2733487:{PUBCHEM:{CID:"2733487","Compound Complexity":1070,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":8,"Rotatable Bond":31,"IUPAC Name Allowed":"(2R)-2-[2-[(1S,3S,5R,10R,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-5,10,12-trihydroxy-3-methyl-tetradecoxy]-2-oxo-ethyl]butanedioic acid","IUPAC Name CAS-like Style":"(2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxy-1-oxobutoxy]-11,16,18-trihydroxy-5,9-dimethyleicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Markup":"(2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Preferred":"(2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Systematic":"(2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-azanyl-6-[(3R)-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid","IUPAC Name Traditional":"(2R)-2-[2-[(1S,3S,5R,10R,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-5,10,12-trihydroxy-3-methyl-tetradecoxy]-2-keto-ethyl]succinic acid",InChI:"1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1",InChIKey:"UVBUBMSSQKOIBE-DSLOAKGESA-N","Log P":-.5,"Exact Mass":721.3884702,"Molecular Formula":"C34H59NO15","Molecular Weight":721.8,"Monoisotopic Mass":721.3884702,Charge:0,"Easy Name":"Fumonisin B1","Easy Category":"Amine"},HSDB:{"Color And Form":{Value:"Powder"},Solubility:{Value:"Soluble in methanol"}},ReducedFormula:"C34H59N1O15"},2733489:{PUBCHEM:{CID:"2733489","Compound Complexity":1040,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":7,"Rotatable Bond":31,"IUPAC Name Allowed":"(2R)-2-[2-[(1S,3S,10R,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-10,12-dihydroxy-3-methyl-tetradecoxy]-2-oxo-ethyl]butanedioic acid","IUPAC Name CAS-like Style":"(2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxy-1-oxobutoxy]-16,18-dihydroxy-5,9-dimethyleicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Markup":"(2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Preferred":"(2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Systematic":"(2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-azanyl-6-[(3R)-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-16,18-bis(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid","IUPAC Name Traditional":"(2R)-2-[2-[(1S,3S,10R,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-10,12-dihydroxy-3-methyl-tetradecoxy]-2-keto-ethyl]succinic acid",InChI:"1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1",InChIKey:"UXDPXZQHTDAXOZ-STOIETHLSA-N","Log P":1.2,"Exact Mass":705.39355558,"Molecular Formula":"C34H59NO14","Molecular Weight":705.8,"Monoisotopic Mass":705.39355558,Charge:0,"Easy Name":"Fumonisin B2","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C34H59N1O14"},2734723:{PUBCHEM:{CID:"2734723","Compound Complexity":196,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":30,"IUPAC Name Allowed":"Stannous;octadecanoate","IUPAC Name CAS-like Style":"Octadecanoate;tin(2+)","IUPAC Name Markup":"Octadecanoate;tin(2+)","IUPAC Name Preferred":"Octadecanoate;tin(2+)","IUPAC Name Systematic":"Octadecanoate;tin(2+)","IUPAC Name Traditional":"Stannous;stearate",InChI:"1S/2C18H36O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",InChIKey:"CYCFYXLDTSNTGP-UHFFFAOYSA-L","Exact Mass":686.429613,"Molecular Formula":"C36H70O4Sn","Molecular Weight":685.6,"Monoisotopic Mass":686.429613,Charge:0,"Easy Name":"Tin (II) Stearate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C36H70O4Sn1"},2735122:{PUBCHEM:{CID:"2735122","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;formate","IUPAC Name CAS-like Style":"Potassium;formate","IUPAC Name Markup":"Potassium;formate","IUPAC Name Preferred":"Potassium;formate","IUPAC Name Systematic":"Potassium;methanoate","IUPAC Name Traditional":"Potassium;formate",InChI:"1S/CH2O2.K/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",InChIKey:"WFIZEGIEIOHZCP-UHFFFAOYSA-M","Exact Mass":83.96136076,"Molecular Formula":"CHKO2","Molecular Weight":84.116,"Monoisotopic Mass":83.96136076,Charge:0,"Easy Name":"Potassium formate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"COLORLESS GRANULES"},Density:{Value:"1.91"},"Melting Point":{Value:"167 °C"},pH:{Value:"AQ SOLN IS PRACTICALLY NEUTRAL"},Solubility:{Value:"SOL IN 100 CC WATER: 331 G @ 18 °C, 657 G @ 80 °C; SOL IN ALCOHOL; INSOL IN ETHER"},Uses:{Value:"IN FUNGICIDES & BACTERICIDES FOR AGRICULTURE"}},ReducedFormula:"C1H1K1O2"},2735329:{PUBCHEM:{CID:"2735329","Compound Complexity":129,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"5-amino-1,2,4-dithiazole-3-thione","IUPAC Name CAS-like Style":"5-amino-1,2,4-dithiazole-3-thione","IUPAC Name Markup":"5-amino-1,2,4-dithiazole-3-thione","IUPAC Name Preferred":"5-amino-1,2,4-dithiazole-3-thione","IUPAC Name Systematic":"5-azanyl-1,2,4-dithiazole-3-thione","IUPAC Name Traditional":"5-amino-1,2,4-dithiazole-3-thione",InChI:"1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)",InChIKey:"YWZHEXZIISFIDA-UHFFFAOYSA-N","Log P":.6,"Exact Mass":149.9380116,"Molecular Formula":"C2H2N2S3","Molecular Weight":150.3,"Monoisotopic Mass":149.9380116,Charge:0,"Easy Name":"Xanthane Hydride","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C2H2N2S3"},2754594:{PUBCHEM:{CID:"2754594","Compound Complexity":100,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"Hydroxy hydrogen sulfate","IUPAC Name CAS-like Style":"Sulfuric acid hydroxy ester","IUPAC Name Markup":"Hydroxy hydrogen sulfate","IUPAC Name Preferred":"Hydroxy hydrogen sulfate","IUPAC Name Systematic":"Oxidanyl hydrogen sulfate","IUPAC Name Traditional":"Sulfuric acid hydroxy ester",InChI:"1S/H2O5S/c1-5-6(2,3)4/h1H,(H,2,3,4)",InChIKey:"FHHJDRFHHWUPDG-UHFFFAOYSA-N","Log P":-1.3,"Exact Mass":113.96229434,"Molecular Formula":"H2O5S","Molecular Weight":114.08,"Monoisotopic Mass":113.96229434,Charge:0,"Easy Name":"Peroxymonosulfuric acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O5S1"},2771871:{PUBCHEM:{CID:"2771871","Compound Complexity":173,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-2,3-dichloro-4-oxo-but-2-enoic acid","IUPAC Name CAS-like Style":"(Z)-2,3-dichloro-4-oxo-2-butenoic acid","IUPAC Name Markup":"(Z)-2,3-dichloro-4-oxobut-2-enoic acid","IUPAC Name Preferred":"(Z)-2,3-dichloro-4-oxobut-2-enoic acid","IUPAC Name Systematic":"(Z)-2,3-bis(chloranyl)-4-oxidanylidene-but-2-enoic acid","IUPAC Name Traditional":"(Z)-2,3-dichloro-4-keto-but-2-enoic acid",InChI:"1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-",InChIKey:"LUMLZKVIXLWTCI-IHWYPQMZSA-N","Log P":1.2,"Exact Mass":167.9380993,"Molecular Formula":"C4H2Cl2O3","Molecular Weight":168.96,"Monoisotopic Mass":167.9380993,Charge:0,"Easy Name":" (2Z)-2, 3-Dichloro-4-oxo-2-butenoic acid","Easy Category":"Carboxylic acid"},HSDB:{"Color And Form":{Value:"Monoclinic prisms from ether and ligroin"},"Melting Point":{Value:"127 °C"},Solubility:{Value:"Soluble in chlorinated and oxygenated solvents"},Uses:{Value:"Used in the production of an active ingredient produced in the United States to make a herbicide for the control of a unique spectrum of broadleaf weeds and grasses..."},"Vapor Pressure":{Value:"1.0X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"C4Cl2H2O3"},2772382:{PUBCHEM:{CID:"2772382","Compound Complexity":235,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"4,6-dimethyl-2-methylsulfonyl-pyrimidine","IUPAC Name CAS-like Style":"4,6-dimethyl-2-methylsulfonylpyrimidine","IUPAC Name Markup":"4,6-dimethyl-2-methylsulfonylpyrimidine","IUPAC Name Preferred":"4,6-dimethyl-2-methylsulfonylpyrimidine","IUPAC Name Systematic":"4,6-dimethyl-2-methylsulfonyl-pyrimidine","IUPAC Name Traditional":"2-mesyl-4,6-dimethyl-pyrimidine",InChI:"1S/C7H10N2O2S/c1-5-4-6(2)9-7(8-5)12(3,10)11/h4H,1-3H3",InChIKey:"ZHPSNGCLCHWTRG-UHFFFAOYSA-N","Log P":.6,"Exact Mass":186.04629874,"Molecular Formula":"C7H10N2O2S","Molecular Weight":186.23,"Monoisotopic Mass":186.04629874,Charge:0,"Easy Name":"4, 6-Dimethyl-2-methylsulfonylpyrimidine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C7H10N2O2S1"},2826719:{PUBCHEM:{CID:"2826719","Compound Complexity":229,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"2,4-dihydroxy-6-pentyl-benzoic acid","IUPAC Name CAS-like Style":"2,4-dihydroxy-6-pentylbenzoic acid","IUPAC Name Markup":"2,4-dihydroxy-6-pentylbenzoic acid","IUPAC Name Preferred":"2,4-dihydroxy-6-pentylbenzoic acid","IUPAC Name Systematic":"2,4-bis(oxidanyl)-6-pentyl-benzoic acid","IUPAC Name Traditional":"2-amyl-4,6-dihydroxy-benzoic acid",InChI:"1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)",InChIKey:"SXFKFRRXJUJGSS-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":224.10485899,"Molecular Formula":"C12H16O4","Molecular Weight":224.25,"Monoisotopic Mass":224.10485899,Charge:0,"Easy Name":"Olivetolic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C12H16O4"},3007984:{PUBCHEM:{CID:"3007984","Compound Complexity":1200,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","IUPAC Name CAS-like Style":"(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,9,15-tris(phenylmethyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","IUPAC Name Markup":"(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","IUPAC Name Preferred":"(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","IUPAC Name Systematic":"(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,9,15-tris(phenylmethyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","IUPAC Name Traditional":"(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-triquinone",InChI:"1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1",InChIKey:"GYSCAQFHASJXRS-FFCOJMSVSA-N","Log P":8.4,"Exact Mass":783.40948043,"Molecular Formula":"C45H57N3O9","Molecular Weight":783.9,"Monoisotopic Mass":783.40948043,Charge:0,"Easy Name":"Beauvericin","Easy Category":"Antibacterial"},HSDB:{},ReducedFormula:"C45H57N3O9"},3011746:{PUBCHEM:{CID:"3011746","Compound Complexity":386,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2-thione","IUPAC Name CAS-like Style":"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinethione","IUPAC Name Markup":"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione","IUPAC Name Preferred":"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione","IUPAC Name Systematic":"4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2-thione","IUPAC Name Traditional":"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2-thione",InChI:"1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1",InChIKey:"RHFUOMFWUGWKKO-XVFCMESISA-N","Log P":-1.5,"Exact Mass":259.06267709,"Molecular Formula":"C9H13N3O4S","Molecular Weight":259.28,"Monoisotopic Mass":259.06267709,Charge:0,"Easy Name":"2-Thiocytidine","Easy Category":"Nucleoside"},HSDB:{},ReducedFormula:"C9H13N3O4S1"},3013911:{PUBCHEM:{CID:"3013911","Compound Complexity":526,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"Potassium;4-[4-(benzylamino)phenyl]azobenzenesulfonate","IUPAC Name CAS-like Style":"Potassium;4-[4-[(phenylmethyl)amino]phenyl]azobenzenesulfonate","IUPAC Name Markup":"Potassium;4-[[4-(benzylamino)phenyl]diazenyl]benzenesulfonate","IUPAC Name Preferred":"Potassium;4-[[4-(benzylamino)phenyl]diazenyl]benzenesulfonate","IUPAC Name Systematic":"Potassium;4-[[4-[(phenylmethyl)amino]phenyl]diazenyl]benzenesulfonate","IUPAC Name Traditional":"Potassium;4-[4-(benzylamino)phenyl]azobesylate",InChI:"1S/C19H17N3O3S.K/c23-26(24,25)19-12-10-18(11-13-19)22-21-17-8-6-16(7-9-17)20-14-15-4-2-1-3-5-15;/h1-13,20H,14H2,(H,23,24,25);/q;+1/p-1",InChIKey:"HHGSSTKRFXJDCV-UHFFFAOYSA-M","Exact Mass":405.05494405,"Molecular Formula":"C19H16KN3O3S","Molecular Weight":405.5,"Monoisotopic Mass":405.05494405,Charge:0,"Easy Name":"Benzyl orange","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C19H16K1N3O3S1"},3014771:{PUBCHEM:{CID:"3014771","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Platinum;hexafluoride","IUPAC Name CAS-like Style":"Platinum;hexafluoride","IUPAC Name Markup":"Platinum;hexafluoride","IUPAC Name Preferred":"Platinum;hexafluoride","IUPAC Name Systematic":"Platinum;hexafluoride","IUPAC Name Traditional":"Platinum;hexafluoride",InChI:"1S/6FH.Pt/h6*1H;/p-6",InChIKey:"XUPHULNDUQKGOT-UHFFFAOYSA-H","Exact Mass":308.955213,"Molecular Formula":"F6Pt-6","Molecular Weight":309.07,"Monoisotopic Mass":308.955213,Charge:-6,"Easy Name":"Platinum hexafluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-6F6Pt1"},3014773:{PUBCHEM:{CID:"3014773","Compound Complexity":36.5,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bismuth;triiodate","IUPAC Name CAS-like Style":"Bismuth;triiodate","IUPAC Name Markup":"Bismuth;triiodate","IUPAC Name Preferred":"Bismuth;triiodate","IUPAC Name Systematic":"Bismuth;triiodate","IUPAC Name Traditional":"Bismuth;triiodate",InChI:"1S/Bi.3HIO3/c;3*2-1(3)4/h;3*(H,2,3,4)/q+3;;;/p-3",InChIKey:"FGQDLCIITXBKAR-UHFFFAOYSA-K","Exact Mass":733.648,"Molecular Formula":"BiI3O9","Molecular Weight":733.69,"Monoisotopic Mass":733.648,Charge:0,"Easy Name":"Bismuth Triiodate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi1I3O9"},3028194:{PUBCHEM:{CID:"3028194","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium","IUPAC Name CAS-like Style":"Lithium","IUPAC Name Markup":"Lithium","IUPAC Name Preferred":"Lithium","IUPAC Name Systematic":"Lithium","IUPAC Name Traditional":"Lithium",InChI:"1S/Li",InChIKey:"WHXSMMKQMYFTQS-UHFFFAOYSA-N","Exact Mass":7.01600344,"Molecular Formula":"Li","Molecular Weight":7,"Monoisotopic Mass":7.01600344,Charge:0,"Easy Name":"Lithium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1342 °C"},"Color And Form":{Value:"Soft silvery-white metal"},"Critical Temperature And Pressure":{Value:"Critical temperature = 3223 °C; critical pressure = 68.9 MPa"},Density:{Value:"0.534 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"ca. 21.3 kJ/g"},"Melting Point":{Value:"180.54 °C"},Odor:{Value:"ODORLESS"},Solubility:{Value:"Reacts with water"},Uses:{Value:'As "getter" in vacuum tubes; manufacture of catalysts for polyolefin plastics; in fuels for aircraft, missiles.'},"Vapor Pressure":{Value:"7.90X10-11 Pa (5.92X10-13 mm Hg) at 400 K (127 °C); 0.000489 Pa (3.67X10-6 mm Hg) at 600 K (327 °C); 1.08 Pa (0.00810 mm Hg) at 800 K (524 °C); 109 Pa (0.818 mm Hg) at 1000 K (727 °C)"}},ReducedFormula:"Li1"},3032309:{PUBCHEM:{CID:"3032309","Compound Complexity":180,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-2,3-dimethylbut-2-enedioic acid","IUPAC Name CAS-like Style":"(Z)-2,3-dimethyl-2-butenedioic acid","IUPAC Name Markup":"(Z)-2,3-dimethylbut-2-enedioic acid","IUPAC Name Preferred":"(Z)-2,3-dimethylbut-2-enedioic acid","IUPAC Name Systematic":"(Z)-2,3-dimethylbut-2-enedioic acid","IUPAC Name Traditional":"(Z)-2,3-dimethylbut-2-enedioic acid",InChI:"1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)/b4-3-",InChIKey:"CGBYBGVMDAPUIH-ARJAWSKDSA-N","Log P":.3,"Exact Mass":144.042258736,"Molecular Formula":"C6H8O4","Molecular Weight":144.12,"Monoisotopic Mass":144.042258736,Charge:0,"Easy Name":" (2Z)-2, 3-Dimethyl-2-butenedioic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H8O4"},3032552:{PUBCHEM:{CID:"3032552","Compound Complexity":7.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/NO2/c2-1-3",InChIKey:"JCXJVPUVTGWSNB-UHFFFAOYSA-N","Log P":-.3,"Exact Mass":45.992903244,"Molecular Formula":"NO2","Molecular Weight":46.006,"Monoisotopic Mass":45.992903244,Charge:0,"Easy Name":"Nitrogen dioxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"N1O2"},3032553:{PUBCHEM:{CID:"3032553","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Mercuric;azanide;chloride","IUPAC Name CAS-like Style":"Azanide;mercury(2+);chloride","IUPAC Name Markup":"Azanide;mercury(2+);chloride","IUPAC Name Preferred":"Azanide;mercury(2+);chloride","IUPAC Name Systematic":"Azanide;mercury(2+);chloride","IUPAC Name Traditional":"Mercuric;azanide;chloride",InChI:"1S/ClH.Hg.H2N/h1H;;1H2/q;+2;-1/p-1",InChIKey:"WRWRKDRWMURIBI-UHFFFAOYSA-M","Exact Mass":252.95822,"Molecular Formula":"ClH2HgN","Molecular Weight":252.07,"Monoisotopic Mass":252.95822,Charge:0,"Easy Name":"Mercuric amidochloride","Easy Category":"Inorganic amides"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"WHITE, PULVERULENT PIECES, OR A WHITE AMORPHOUS POWDER"},Density:{Value:"5.70 @ 20 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"SOLUBILITY IN COLD WATER: 0.14 G/100 CC; SOLUBILITY IN HOT WATER: 100 G/100 CC (DECOMPOSES)"},Taste:{Value:"Earthy metallic taste"},Uses:{Value:"MEDICATION (VET)"}},ReducedFormula:"Cl1H2Hg1N1"},3032849:{PUBCHEM:{CID:"3032849","Compound Complexity":129,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,5R)-2,6-diamino-5-hydroxy-hexanoic acid","IUPAC Name CAS-like Style":"(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid","IUPAC Name Markup":"(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid","IUPAC Name Preferred":"(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid","IUPAC Name Systematic":"(2S,5R)-2,6-bis(azanyl)-5-oxidanyl-hexanoic acid","IUPAC Name Traditional":"(2S,5R)-2,6-diamino-5-hydroxy-hexanoic acid",InChI:"1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1",InChIKey:"YSMODUONRAFBET-UHNVWZDZSA-N","Log P":-4.2,"Exact Mass":162.10044232,"Molecular Formula":"C6H14N2O3","Molecular Weight":162.19,"Monoisotopic Mass":162.10044232,Charge:0,"Easy Name":"Hydroxylysine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C6H14N2O3"},3033836:{PUBCHEM:{CID:"3033836","Compound Complexity":196,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":15,"IUPAC Name Allowed":"Octadecanoate","IUPAC Name CAS-like Style":"Octadecanoate","IUPAC Name Markup":"Octadecanoate","IUPAC Name Preferred":"Octadecanoate","IUPAC Name Systematic":"Octadecanoate","IUPAC Name Traditional":"Stearate",InChI:"1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1",InChIKey:"QIQXTHQIDYTFRH-UHFFFAOYSA-M","Log P":8.1,"Exact Mass":283.26370537,"Molecular Formula":"C18H35O2-","Molecular Weight":283.5,"Monoisotopic Mass":283.26370537,Charge:-1,"Easy Name":"Stearate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C18H35O2"},3033972:{PUBCHEM:{CID:"3033972","Compound Complexity":173,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-2,3-dibromo-4-oxo-but-2-enoic acid","IUPAC Name CAS-like Style":"(Z)-2,3-dibromo-4-oxo-2-butenoic acid","IUPAC Name Markup":"(Z)-2,3-dibromo-4-oxobut-2-enoic acid","IUPAC Name Preferred":"(Z)-2,3-dibromo-4-oxobut-2-enoic acid","IUPAC Name Systematic":"(Z)-2,3-bis(bromanyl)-4-oxidanylidene-but-2-enoic acid","IUPAC Name Traditional":"(Z)-2,3-dibromo-4-keto-but-2-enoic acid",InChI:"1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-",InChIKey:"NCNYEGJDGNOYJX-IHWYPQMZSA-N","Log P":1.3,"Exact Mass":257.83502,"Molecular Formula":"C4H2Br2O3","Molecular Weight":257.86,"Monoisotopic Mass":255.83707,Charge:0,"Easy Name":"Mucobromic acid","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"Br2C4H2O3"},3034285:{PUBCHEM:{CID:"3034285","Compound Complexity":646,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoate","IUPAC Name CAS-like Style":"(E)-2-[2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]phenyl]-3-methoxy-2-propenoic acid methyl ester","IUPAC Name Markup":"Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate","IUPAC Name Preferred":"Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate","IUPAC Name Systematic":"Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoate","IUPAC Name Traditional":"(E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-acrylic acid methyl ester",InChI:"1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+",InChIKey:"WFDXOXNFNRHQEC-GHRIWEEISA-N","Log P":3.7,"Exact Mass":403.11682066,"Molecular Formula":"C22H17N3O5","Molecular Weight":403.4,"Monoisotopic Mass":403.11682066,Charge:0,"Easy Name":"Azoxystrobin","Easy Category":"Fungicide"},HSDB:{"Color And Form":{Value:"White crystalline solid"},Density:{Value:"1.33"},"Melting Point":{Value:"116 °C"},Solubility:{Value:"Solubility (g/L, 20 °C): hexane 0.057, n-octanol 1.4, methanol 20, toluene 55, acetone 86, ethyl acetate 130, acetonitrile 340, dichloromethane 400"},Uses:{Value:"For azoxystrobin (USEPA/OPP Pesticide Code: 128810) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"8.3X10-13 mm Hg at 25 °C"}},ReducedFormula:"C22H17N3O5"},3034742:{PUBCHEM:{CID:"3034742","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R,4R,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3R,4R,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1",InChIKey:"WQZGKKKJIJFFOK-UKFBFLRUSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Allopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},3034751:{PUBCHEM:{CID:"3034751","Compound Complexity":1040,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":7,"Rotatable Bond":31,"IUPAC Name Allowed":"2-[2-[(1S,3S,5R,12R,13S)-13-amino-1-[(1R,2R)-1-(3,4-dicarboxybutanoyloxy)-2-methyl-hexyl]-5,12-dihydroxy-3-methyl-tetradecoxy]-2-oxo-ethyl]butanedioic acid","IUPAC Name CAS-like Style":"2-[2-[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxy-1-oxobutoxy)-11,18-dihydroxy-5,9-dimethyleicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Markup":"2-[2-[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Preferred":"2-[2-[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Systematic":"2-[2-[(5R,6R,7S,9S,11R,18R,19S)-19-azanyl-6-(3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-5,9-dimethyl-11,18-bis(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid","IUPAC Name Traditional":"2-[2-[(1S,3S,5R,12R,13S)-13-amino-1-[(1R,2R)-1-(3,4-dicarboxybutanoyloxy)-2-methyl-hexyl]-5,12-dihydroxy-3-methyl-tetradecoxy]-2-keto-ethyl]succinic acid",InChI:"1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23?,24?,25+,26+,27-,32+/m0/s1",InChIKey:"CPCRJSQNWHCGOP-KUHXKYQKSA-N","Log P":.8,"Exact Mass":705.39355558,"Molecular Formula":"C34H59NO14","Molecular Weight":705.8,"Monoisotopic Mass":705.39355558,Charge:0,"Easy Name":"Fumonisin B3","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C34H59N1O14"},3035060:{PUBCHEM:{CID:"3035060","Compound Complexity":1600,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":11,"Rotatable Bond":29,"IUPAC Name Allowed":"(3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid","IUPAC Name CAS-like Style":"(3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-oxobutanoic acid","IUPAC Name Markup":"(3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid","IUPAC Name Preferred":"(3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid","IUPAC Name Systematic":"(3S)-4-azanyl-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-butanoic acid","IUPAC Name Traditional":"(3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-4-keto-butyric acid",InChI:"1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1",InChIKey:"BHSURCCZOBVHJJ-NWOHMYAQSA-N","Log P":-.8,"Exact Mass":954.40918059,"Molecular Formula":"C44H62N10O10S2","Molecular Weight":955.2,"Monoisotopic Mass":954.40918059,Charge:0,"Easy Name":"Deltorphin","Easy Category":"Peptide"},HSDB:{},ReducedFormula:"C44H62N10O10S2"},3035283:{PUBCHEM:{CID:"3035283","Compound Complexity":363,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"4-hydroxyundeca-5,6-dien-8,10-diynoic acid","IUPAC Name CAS-like Style":"4-hydroxyundeca-5,6-dien-8,10-diynoic acid","IUPAC Name Markup":"4-hydroxyundeca-5,6-dien-8,10-diynoic acid","IUPAC Name Preferred":"4-hydroxyundeca-5,6-dien-8,10-diynoic acid","IUPAC Name Systematic":"4-oxidanylundeca-5,6-dien-8,10-diynoic acid","IUPAC Name Traditional":"4-hydroxyundeca-5,6-dien-8,10-diynoic acid",InChI:"1S/C11H10O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h1,5,7,10,12H,8-9H2,(H,13,14)",InChIKey:"DOCWUDHOAPAYAN-UHFFFAOYSA-N","Log P":.2,"Exact Mass":190.06299418,"Molecular Formula":"C11H10O3","Molecular Weight":190.19,"Monoisotopic Mass":190.06299418,Charge:0,"Easy Name":"Nemotinic acid","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C11H10O3"},3035396:{PUBCHEM:{CID:"3035396","Compound Complexity":25.5,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetraberyllium;oxygen(2-);hexaacetate","IUPAC Name CAS-like Style":"Tetraberyllium;oxygen(2-);hexaacetate","IUPAC Name Markup":"Tetraberyllium;oxygen(2-);hexaacetate","IUPAC Name Preferred":"Tetraberyllium;oxygen(2-);hexaacetate","IUPAC Name Systematic":"Tetraberyllium;oxygen(2-);hexaethanoate","IUPAC Name Traditional":"Tetraberyllium;oxygen(2-);hexaacetate",InChI:"1S/6C2H4O2.4Be.O/c6*1-2(3)4;;;;;/h6*1H3,(H,3,4);;;;;/q;;;;;;4*+2;-2/p-6",InChIKey:"RKARILOACIIVIJ-UHFFFAOYSA-H","Exact Mass":406.123473,"Molecular Formula":"C12H18Be4O13","Molecular Weight":406.31,"Monoisotopic Mass":406.123473,Charge:0,"Easy Name":"Basic beryllium acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Be4C12H18O13"},3035433:{PUBCHEM:{CID:"3035433","Compound Complexity":1090,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-isobutyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione","IUPAC Name CAS-like Style":"(7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione","IUPAC Name Markup":"(7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione","IUPAC Name Preferred":"(7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione","IUPAC Name Systematic":"(7S)-7-[[(2S,3aS,4S)-2-(2-methylpropyl)-4-oxidanyl-1-oxidanylidene-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione","IUPAC Name Traditional":"(7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-isobutyl-1-keto-3,3a-dihydro-2H-imidaz[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-quinone",InChI:"1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1",InChIKey:"MGMRIOLWEROPJY-FPACPZPDSA-N","Log P":3,"Exact Mass":535.22195444,"Molecular Formula":"C31H29N5O4","Molecular Weight":535.6,"Monoisotopic Mass":535.22195444,Charge:0,"Easy Name":"Asperlicin","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C31H29N5O4"},3036282:{PUBCHEM:{CID:"3036282","Compound Complexity":636,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name CAS-like Style":"(2S)-2-[[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Markup":"(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Preferred":"(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Systematic":"(2S)-2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid","IUPAC Name Traditional":"(2S)-2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid",InChI:"1S/C20H18ClNO7/c1-9-6-12-14(21)8-13(17(24)16(12)20(28)29-9)18(25)22-15(19(26)27)7-10-2-4-11(23)5-3-10/h2-5,8-9,15,23-24H,6-7H2,1H3,(H,22,25)(H,26,27)/t9?,15-/m0/s1",InChIKey:"NMPHXGOYUUBGIK-POGJTHQKSA-N","Log P":4.4,"Exact Mass":419.0771796,"Molecular Formula":"C20H18ClNO7","Molecular Weight":419.8,"Monoisotopic Mass":419.0771796,Charge:0,"Easy Name":"Ochratoxin TA","Easy Category":"Amide"},HSDB:{},ReducedFormula:"C20Cl1H18N1O7"},3036780:{PUBCHEM:{CID:"3036780","Compound Complexity":363,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(2R,6R)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene","IUPAC Name CAS-like Style":"(2R,6R)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene","IUPAC Name Markup":"(2R,6R)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene","IUPAC Name Preferred":"(2R,6R)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene","IUPAC Name Systematic":"(2R,6R)-9-chloranyl-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene","IUPAC Name Traditional":"(2R,6R)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene",InChI:"1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1",InChIKey:"VSWBSWWIRNCQIJ-GJZGRUSLSA-N","Log P":3.8,"Exact Mass":285.0920418,"Molecular Formula":"C17H16ClNO","Molecular Weight":285.8,"Monoisotopic Mass":285.0920418,Charge:0,"Easy Name":"Asenapine","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"White to off-white powder"},Solubility:{Value:"In water, 0.98 mg/L at 25 °C (est)"},"Vapor Density":{Value:"1.83X10-6 mm Hg at 25 °C (est)"}},ReducedFormula:"C17Cl1H16N1O1"},3037052:{PUBCHEM:{CID:"3037052","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxochromium","IUPAC Name CAS-like Style":"Oxochromium","IUPAC Name Markup":"Oxochromium","IUPAC Name Preferred":"Oxochromium","IUPAC Name Systematic":"Oxidanylidenechromium","IUPAC Name Traditional":"Ketochromium",InChI:"1S/Cr.O",InChIKey:"XVOFZWCCFLVFRR-UHFFFAOYSA-N","Exact Mass":67.93542,"Molecular Formula":"CrO","Molecular Weight":67.995,"Monoisotopic Mass":67.93542,Charge:0,"Easy Name":"Chromium (II) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Cr1O1"},3037556:{PUBCHEM:{CID:"3037556","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2R,3S,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1",InChIKey:"GZCGUPFRVQAUEE-KCDKBNATSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Aldehydo-D-galactose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},3037582:{PUBCHEM:{CID:"3037582","Compound Complexity":202,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":6,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid","IUPAC Name CAS-like Style":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid","IUPAC Name Markup":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid","IUPAC Name Preferred":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid","IUPAC Name Systematic":"(2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanedioic acid","IUPAC Name Traditional":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyadipic acid",InChI:"1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-",InChIKey:"DSLZVSRJTYRBFB-DUHBMQHGSA-N","Log P":-2.5,"Exact Mass":210.03756728,"Molecular Formula":"C6H10O8","Molecular Weight":210.14,"Monoisotopic Mass":210.03756728,Charge:0,"Easy Name":"Mucic acid","Easy Category":"Hydroxy acids"},HSDB:{"Color And Form":{Value:"CRYSTALLINE POWDER"},Solubility:{Value:"SOL IN 300 PARTS COLD WATER, 60 PARTS BOILING WATER; SOL IN ALKALIES; PRACTICALLY INSOL IN ALCOHOL, ETHER"},Uses:{Value:"SUBSTITUTE FOR TARTARIC ACID; SEQUESTERANT FOR METAL IONS (CALCIUM, IRON)"}},ReducedFormula:"C6H10O8"},3081405:{PUBCHEM:{CID:"3081405","Compound Complexity":488,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol","IUPAC Name CAS-like Style":"(7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol","IUPAC Name Markup":"(7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol","IUPAC Name Preferred":"(7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol","IUPAC Name Systematic":"(7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol","IUPAC Name Traditional":"(7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinolin-7-ium-2,11-diol",InChI:"1S/C20H23NO4/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1",InChIKey:"RBBVPNQTBKHOEQ-KKSFZXQISA-O","Log P":2.6,"Exact Mass":342.17053326,"Molecular Formula":"C20H24NO4+","Molecular Weight":342.4,"Monoisotopic Mass":342.17053326,Charge:1,"Easy Name":"Phellodendrine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"+1C20H24N1O4"},3081932:{PUBCHEM:{CID:"3081932","Compound Complexity":31.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;cyanic acid","IUPAC Name CAS-like Style":"Ammonia;cyanic acid","IUPAC Name Markup":"Azane;cyanic acid","IUPAC Name Preferred":"Azane;cyanic acid","IUPAC Name Systematic":"Azane;cyanic acid","IUPAC Name Traditional":"Ammonia;cyanic acid",InChI:"1S/CHNO.H3N/c2-1-3;/h3H;1H3",InChIKey:"QYTOONVFPBUIJG-UHFFFAOYSA-N","Exact Mass":60.032362757,"Molecular Formula":"CH4N2O","Molecular Weight":60.056,"Monoisotopic Mass":60.032362757,Charge:0,"Easy Name":"Ammonium cyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1H4N2O1"},3082075:{PUBCHEM:{CID:"3082075","Compound Complexity":181,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/H2O6S2/c1-7(2,3)8(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2",InChIKey:"RMGVZKRVHHSUIM-UHFFFAOYSA-L","Log P":-2,"Exact Mass":159.91363007,"Molecular Formula":"O6S2-2","Molecular Weight":160.13,"Monoisotopic Mass":159.91363007,Charge:-2,"Easy Name":"Dithionate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-2O6S2"},3083567:{PUBCHEM:{CID:"3083567","Compound Complexity":182,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2,2-dimethyl-6-oxo-heptanoic acid","IUPAC Name CAS-like Style":"2,2-dimethyl-6-oxoheptanoic acid","IUPAC Name Markup":"2,2-dimethyl-6-oxoheptanoic acid","IUPAC Name Preferred":"2,2-dimethyl-6-oxoheptanoic acid","IUPAC Name Systematic":"2,2-dimethyl-6-oxidanylidene-heptanoic acid","IUPAC Name Traditional":"6-keto-2,2-dimethyl-enanthic acid",InChI:"1S/C9H16O3/c1-7(10)5-4-6-9(2,3)8(11)12/h4-6H2,1-3H3,(H,11,12)",InChIKey:"KDCDRDLFMIISIA-UHFFFAOYSA-N","Log P":1,"Exact Mass":172.10994437,"Molecular Formula":"C9H16O3","Molecular Weight":172.22,"Monoisotopic Mass":172.10994437,Charge:0,"Easy Name":"2, 2-dimethyl-6-oxoheptanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C9H16O3"},3083927:{PUBCHEM:{CID:"3083927","Compound Complexity":1360,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":6,"Rotatable Bond":9,"IUPAC Name Allowed":"[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate","IUPAC Name CAS-like Style":"Formic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester","IUPAC Name Markup":"[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate","IUPAC Name Preferred":"[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate","IUPAC Name Systematic":"[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] methanoate","IUPAC Name Traditional":"Formic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester",InChI:"1S/C37H56O15/c1-17-31(52-33-29(43)28(42)27(41)24(14-38)51-33)32(46-4)30(44)34(49-17)50-20-7-9-35(2)19(12-20)5-6-22-21(35)8-10-36(3)26(18-11-25(40)47-15-18)23(48-16-39)13-37(22,36)45/h11,16-17,19-24,26-34,38,41-45H,5-10,12-15H2,1-4H3/t17-,19-,20+,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+,36-,37+/m1/s1",InChIKey:"SVNMSAUVRSRHGA-UUXWYOJBSA-N","Log P":.3,"Exact Mass":740.3619211,"Molecular Formula":"C37H56O15","Molecular Weight":740.8,"Monoisotopic Mass":740.3619211,Charge:0,"Easy Name":"Glucoverodoxin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C37H56O15"},3084026:{PUBCHEM:{CID:"3084026","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;sulfate","IUPAC Name CAS-like Style":"Strontium;sulfate","IUPAC Name Markup":"Strontium;sulfate","IUPAC Name Preferred":"Strontium;sulfate","IUPAC Name Systematic":"Strontium;sulfate","IUPAC Name Traditional":"Strontium;sulfate",InChI:"1S/H2O4S.Sr/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",InChIKey:"UBXAKNTVXQMEAG-UHFFFAOYSA-L","Exact Mass":183.85734191,"Molecular Formula":"O4SSr","Molecular Weight":183.7,"Monoisotopic Mass":183.85734191,Charge:0,"Easy Name":"Strontium sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O4S1Sr1"},3084030:{PUBCHEM:{CID:"3084030","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dioxido(dioxo)manganese","IUPAC Name CAS-like Style":"Barium(2+);dioxido(dioxo)manganese","IUPAC Name Markup":"Barium(2+);dioxido(dioxo)manganese","IUPAC Name Preferred":"Barium(2+);dioxido(dioxo)manganese","IUPAC Name Systematic":"Barium(2+);bis(oxidanidyl)-bis(oxidanylidene)manganese","IUPAC Name Traditional":"Barium(2+);diketo(dioxido)manganese",InChI:"1S/Ba.Mn.4O/q+2;;;;2*-1",InChIKey:"ZZCNKSMCIZCVDR-UHFFFAOYSA-N","Exact Mass":256.822949,"Molecular Formula":"BaMnO4","Molecular Weight":256.26,"Monoisotopic Mass":256.822949,Charge:0,"Easy Name":"Barium manganate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1Mn1O4"},3084032:{PUBCHEM:{CID:"3084032","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;dioxido(dioxo)tungsten","IUPAC Name CAS-like Style":"Dipotassium;dioxido(dioxo)tungsten","IUPAC Name Markup":"Dipotassium;dioxido(dioxo)tungsten","IUPAC Name Preferred":"Dipotassium;dioxido(dioxo)tungsten","IUPAC Name Systematic":"Dipotassium;bis(oxidanidyl)-bis(oxidanylidene)tungsten","IUPAC Name Traditional":"Dipotassium;diketo(dioxido)tungsten",InChI:"1S/2K.4O.W/q2*+1;;;2*-1;",InChIKey:"AAQNGTNRWPXMPB-UHFFFAOYSA-N","Exact Mass":325.858005,"Molecular Formula":"K2O4W","Molecular Weight":326,"Monoisotopic Mass":325.858005,Charge:0,"Easy Name":"Dipotassium wolframate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K2O4W1"},3084066:{PUBCHEM:{CID:"3084066","Compound Complexity":468,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"7-methoxy-2-(4-methoxyphenyl)-5,6-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromone",InChI:"1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-7-11(18)15-13(23-12)8-14(22-2)16(19)17(15)20/h3-8,19-20H,1-2H3",InChIKey:"UUQJTIHOVGMQIH-UHFFFAOYSA-N","Log P":2,"Exact Mass":314.07903817,"Molecular Formula":"C17H14O6","Molecular Weight":314.29,"Monoisotopic Mass":314.07903817,Charge:0,"Easy Name":"Ladanein","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C17H14O6"},3084099:{PUBCHEM:{CID:"3084099","Compound Complexity":154,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"2,4,6,7-tetraza-1,3,5-trisilahexacyclo[3.1.1.01,4.02,5.03,6.03,7]heptane","IUPAC Name CAS-like Style":"2,4,6,7-tetraza-1,3,5-trisilahexacyclo[3.1.1.01,4.02,5.03,6.03,7]heptane","IUPAC Name Markup":"2,4,6,7-tetraza-1,3,5-trisilahexacyclo[3.1.1.01,4.02,5.03,6.03,7]heptane","IUPAC Name Preferred":"2,4,6,7-tetraza-1,3,5-trisilahexacyclo[3.1.1.01,4.02,5.03,6.03,7]heptane","IUPAC Name Systematic":"2,4,6,7-tetraza-1,3,5-trisilahexacyclo[3.1.1.01,4.02,5.03,6.03,7]heptane","IUPAC Name Traditional":"2,4,6,7-tetraza-1,3,5-trisilahexacyclo[3.1.1.01,4.02,5.03,6.03,7]heptane",InChI:"1S/N4Si3/c1-5-2-6(1)3(5)7(1,2)4(5)6",InChIKey:"HQVNEWCFYHHQES-UHFFFAOYSA-N","Exact Mass":139.94307562,"Molecular Formula":"N4Si3","Molecular Weight":140.28,"Monoisotopic Mass":139.94307562,Charge:0,"Easy Name":"Silicon nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"N4Si3"},3084149:{PUBCHEM:{CID:"3084149","Compound Complexity":18.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disilver;sulfite","IUPAC Name CAS-like Style":"Disilver;sulfite","IUPAC Name Markup":"Disilver;sulfite","IUPAC Name Preferred":"Disilver;sulfite","IUPAC Name Systematic":"Disilver;sulfite","IUPAC Name Traditional":"Disilver;sulfite",InChI:"1S/2Ag.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",InChIKey:"WYCFMBAHFPUBDS-UHFFFAOYSA-L","Exact Mass":295.76666,"Molecular Formula":"Ag2O3S","Molecular Weight":295.8,"Monoisotopic Mass":293.767,Charge:0,"Easy Name":"Silver sulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag2O3S1"},3084163:{PUBCHEM:{CID:"3084163","Compound Complexity":95.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;oxido(trioxo)rhenium","IUPAC Name CAS-like Style":"Ammonium;oxido(trioxo)rhenium","IUPAC Name Markup":"Azanium;oxido(trioxo)rhenium","IUPAC Name Preferred":"Azanium;oxido(trioxo)rhenium","IUPAC Name Systematic":"Azanium;oxidanidyl-tris(oxidanylidene)rhenium","IUPAC Name Traditional":"Ammonium;triketo(oxido)rhenium",InChI:"1S/H3N.4O.Re/h1H3;;;;;/q;;;;-1;/p+1",InChIKey:"HOJYZCWLNWENHS-UHFFFAOYSA-O","Exact Mass":268.969785,"Molecular Formula":"H4NO4Re","Molecular Weight":268.24,"Monoisotopic Mass":268.969785,Charge:0,"Easy Name":"Ammonium perrhenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H4N1O4Re1"},3084336:{PUBCHEM:{CID:"3084336","Compound Complexity":320,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":11,"IUPAC Name Allowed":"N-[(4-hydroxy-3-methoxy-phenyl)methyl]-9-methyl-decanamide","IUPAC Name CAS-like Style":"N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide","IUPAC Name Markup":"N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide","IUPAC Name Preferred":"N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide","IUPAC Name Systematic":"N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-9-methyl-decanamide","IUPAC Name Traditional":"9-methyl-N-vanillyl-capramide",InChI:"1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)",InChIKey:"AKDLSISGGARWFP-UHFFFAOYSA-N","Log P":5,"Exact Mass":321.23039386,"Molecular Formula":"C19H31NO3","Molecular Weight":321.5,"Monoisotopic Mass":321.23039386,Charge:0,"Easy Name":"Homodihydrocapsaicin","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C19H31N1O3"},3084658:{PUBCHEM:{CID:"3084658","Compound Complexity":46.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Phosphenic acid","IUPAC Name CAS-like Style":"Phosphenic acid","IUPAC Name Markup":"Phosphenic acid","IUPAC Name Preferred":"Phosphenic acid","IUPAC Name Systematic":"Phosphenic acid","IUPAC Name Traditional":"Phosphenic acid",InChI:"1S/HO3P/c1-4(2)3/h(H,1,2,3)",InChIKey:"UEZVMMHDMIWARA-UHFFFAOYSA-N","Log P":-1.2,"Exact Mass":79.96633089,"Molecular Formula":"HO3P","Molecular Weight":79.98,"Monoisotopic Mass":79.96633089,Charge:0,"Easy Name":"Metaphosphoric acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H1O3P1"},3084961:{PUBCHEM:{CID:"3084961","Compound Complexity":763,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-hydroxy-8-methoxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5R,6S)-6-(8-methoxy-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-keto-8-methoxy-2-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid",InChI:"1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1",InChIKey:"LNOHXHDWGCMVCO-NTKSAMNMSA-N","Log P":1.4,"Exact Mass":460.10056146,"Molecular Formula":"C22H20O11","Molecular Weight":460.4,"Monoisotopic Mass":460.10056146,Charge:0,"Easy Name":"Oroxindin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C22H20O11"},3084992:{PUBCHEM:{CID:"3084992","Compound Complexity":4.1,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":8,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydron;platinum;hexahydroxide","IUPAC Name CAS-like Style":"Hydron;platinum;hexahydroxide","IUPAC Name Markup":"Hydron;platinum;hexahydroxide","IUPAC Name Preferred":"Hydron;platinum;hexahydroxide","IUPAC Name Systematic":"Hydron;platinum;hexahydroxide","IUPAC Name Traditional":"Hydron;platinum;hexahydroxide",InChI:"1S/6H2O.Pt/h6*1H2;/p-4",InChIKey:"BYFKUSIUMUEWCM-UHFFFAOYSA-J","Exact Mass":298.996882,"Molecular Formula":"H8O6Pt-4","Molecular Weight":299.14,"Monoisotopic Mass":298.996882,Charge:-4,"Easy Name":"Dihydrogen hexahydroxyplatinate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-4H8O6Pt1"},3260017:{PUBCHEM:{CID:"3260017","Compound Complexity":153,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"4-hydroxy-3,4-dioxo-butanoate","IUPAC Name CAS-like Style":"4-hydroxy-3,4-dioxobutanoate","IUPAC Name Markup":"4-hydroxy-3,4-dioxobutanoate","IUPAC Name Preferred":"4-hydroxy-3,4-dioxobutanoate","IUPAC Name Systematic":"4-oxidanyl-3,4-bis(oxidanylidene)butanoate","IUPAC Name Traditional":"4-hydroxy-3,4-diketo-butyrate",InChI:"1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1",InChIKey:"KHPXUQMNIQBQEV-UHFFFAOYSA-M","Log P":0,"Exact Mass":130.998048195,"Molecular Formula":"C4H3O5-","Molecular Weight":131.06,"Monoisotopic Mass":130.998048195,Charge:-1,"Easy Name":"Oxaloethanoate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C4H3O5"},3359493:{PUBCHEM:{CID:"3359493","Compound Complexity":212,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"3-(2,4-dihydroxyphenyl)prop-2-enoic acid","IUPAC Name CAS-like Style":"3-(2,4-dihydroxyphenyl)-2-propenoic acid","IUPAC Name Markup":"3-(2,4-dihydroxyphenyl)prop-2-enoic acid","IUPAC Name Preferred":"3-(2,4-dihydroxyphenyl)prop-2-enoic acid","IUPAC Name Systematic":"3-[2,4-bis(oxidanyl)phenyl]prop-2-enoic acid","IUPAC Name Traditional":"Umbellic acid",InChI:"1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)",InChIKey:"HGEFWFBFQKWVMY-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":180.042258736,"Molecular Formula":"C9H8O4","Molecular Weight":180.16,"Monoisotopic Mass":180.042258736,Charge:0,"Easy Name":"3- (2, 4-Dihydroxyphenyl)acrylic acid","Easy Category":"Phenolic acid"},HSDB:{},ReducedFormula:"C9H8O4"},3371533:{PUBCHEM:{CID:"3371533","Compound Complexity":124,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(dithioxo-lambda5-arsanyl)sulfanyl-dithioxo-lambda5-arsane","IUPAC Name CAS-like Style":"[bis(sulfanylidene)arsoranylthio]-bis(sulfanylidene)arsorane","IUPAC Name Markup":"[bis(sulfanylidene)-λ5-arsanyl]sulfanyl-bis(sulfanylidene)-λ5-arsane","IUPAC Name Preferred":"[bis(sulfanylidene)-lambda5-arsanyl]sulfanyl-bis(sulfanylidene)-lambda5-arsane","IUPAC Name Systematic":"[bis(sulfanylidene)-lambda5-arsanyl]sulfanyl-bis(sulfanylidene)-lambda5-arsane","IUPAC Name Traditional":"(dithioxoarsoranylthio)-dithioxo-arsorane",InChI:"1S/As2S5/c3-1(4)7-2(5)6",InChIKey:"AYRZLUSHOXJGKY-UHFFFAOYSA-N","Exact Mass":309.70354,"Molecular Formula":"As2S5","Molecular Weight":310.2,"Monoisotopic Mass":309.70354,Charge:0,"Easy Name":"Arsenic pentasulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"As2S5"},3387080:{PUBCHEM:{CID:"3387080","Compound Complexity":6.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;azanidylidenecalcium","IUPAC Name CAS-like Style":"Calcium;azanidylidenecalcium","IUPAC Name Markup":"Calcium;azanidylidenecalcium","IUPAC Name Preferred":"Calcium;azanidylidenecalcium","IUPAC Name Systematic":"Calcium;azanidylidenecalcium","IUPAC Name Traditional":"Calcium;amidylidenecalcium",InChI:"1S/3Ca.2N/q;;+2;2*-1",InChIKey:"XCNGEWCFFFJZJT-UHFFFAOYSA-N","Exact Mass":147.8939206,"Molecular Formula":"Ca3N2","Molecular Weight":148.2,"Monoisotopic Mass":147.8939206,Charge:0,"Easy Name":"Calcium nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"Ca3N2"},3413884:{PUBCHEM:{CID:"3413884","Compound Complexity":79.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)/p-1",InChIKey:"UQSQSQZYBQSBJZ-UHFFFAOYSA-M","Log P":-.4,"Exact Mass":98.9552182,"Molecular Formula":"FO3S-","Molecular Weight":99.06,"Monoisotopic Mass":98.9552182,Charge:-1,"Easy Name":"Fluorosulfates","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1F1O3S1"},3423208:{PUBCHEM:{CID:"3423208","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);iodide","IUPAC Name CAS-like Style":"Rubidium(1+);iodide","IUPAC Name Markup":"Rubidium(1+);iodide","IUPAC Name Preferred":"Rubidium(1+);iodide","IUPAC Name Systematic":"Rubidium(1+);iodide","IUPAC Name Traditional":"Rubidium(1+);iodide",InChI:"1S/HI.Rb/h1H;/q;+1/p-1",InChIKey:"WFUBYPSJBBQSOU-UHFFFAOYSA-M","Exact Mass":211.81626,"Molecular Formula":"IRb","Molecular Weight":212.372,"Monoisotopic Mass":211.81626,Charge:0,"Easy Name":"Rubidium iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I1Rb1"},3474584:{PUBCHEM:{CID:"3474584","Compound Complexity":34.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;acetate","IUPAC Name CAS-like Style":"Lithium;acetate","IUPAC Name Markup":"Lithium;acetate","IUPAC Name Preferred":"Lithium;acetate","IUPAC Name Systematic":"Lithium;ethanoate","IUPAC Name Traditional":"Lithium;acetate",InChI:"1S/C2H4O2.Li/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",InChIKey:"XIXADJRWDQXREU-UHFFFAOYSA-M","Exact Mass":66.02930777,"Molecular Formula":"C2H3LiO2","Molecular Weight":66,"Monoisotopic Mass":66.02930777,Charge:0,"Easy Name":"Lithium acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2H3Li1O2"},3523997:{PUBCHEM:{CID:"3523997","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;oxido(dioxo)tantalum","IUPAC Name CAS-like Style":"Potassium;oxido(dioxo)tantalum","IUPAC Name Markup":"Potassium;oxido(dioxo)tantalum","IUPAC Name Preferred":"Potassium;oxido(dioxo)tantalum","IUPAC Name Systematic":"Potassium;oxidanidyl-bis(oxidanylidene)tantalum","IUPAC Name Traditional":"Potassium;diketo(oxido)tantalum",InChI:"1S/K.3O.Ta/q+1;;;-1;",InChIKey:"GTFKZOWFWFAWLD-UHFFFAOYSA-N","Exact Mass":267.89645,"Molecular Formula":"KO3Ta","Molecular Weight":268.044,"Monoisotopic Mass":267.89645,Charge:0,"Easy Name":"Potassium tantalate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K1O3Ta1"},3555370:{PUBCHEM:{CID:"3555370","Compound Complexity":815,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one","IUPAC Name CAS-like Style":"2,5,12-trihydroxy-5,7,14-trimethyl-13-methylene-16-(phenylmethyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one","IUPAC Name Markup":"16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one","IUPAC Name Preferred":"16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one","IUPAC Name Systematic":"5,7,14-trimethyl-13-methylidene-2,5,12-tris(oxidanyl)-16-(phenylmethyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one","IUPAC Name Traditional":"16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one",InChI:"1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)",InChIKey:"UKQNIEMKORIOQM-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":451.27225868,"Molecular Formula":"C28H37NO4","Molecular Weight":451.6,"Monoisotopic Mass":451.27225868,Charge:0,"Easy Name":"Cytochalasin J","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C28H37N1O4"},3579754:{PUBCHEM:{CID:"3579754","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxothallanyloxy)thallane","IUPAC Name CAS-like Style":"Oxo(oxothallanyloxy)thallane","IUPAC Name Markup":"Oxo(oxothallanyloxy)thallane","IUPAC Name Preferred":"Oxo(oxothallanyloxy)thallane","IUPAC Name Systematic":"Oxidanylidene(oxidanylidenethallanyloxy)thallane","IUPAC Name Traditional":"Keto(ketothallanyloxy)thallane",InChI:"1S/3O.2Tl",InChIKey:"QTQRFJQXXUPYDI-UHFFFAOYSA-N","Exact Mass":457.9336,"Molecular Formula":"O3Tl2","Molecular Weight":456.77,"Monoisotopic Mass":457.9336,Charge:0,"Easy Name":"Thallium (III) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O3Tl2"},3627252:{PUBCHEM:{CID:"3627252","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodovanadium","IUPAC Name CAS-like 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Traditional":"Potassium;triketo(oxido)rhenium",InChI:"1S/K.4O.Re/q+1;;;;-1;",InChIKey:"QFKRWIFGDGKWLM-UHFFFAOYSA-N","Exact Mass":289.899117,"Molecular Formula":"KO4Re","Molecular Weight":289.3,"Monoisotopic Mass":289.899117,Charge:0,"Easy Name":"Potassium;oxido (trioxo)rhenium","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K1O4Re1"},3681305:{PUBCHEM:{CID:"3681305","Compound Complexity":46.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrogen phosphate","IUPAC Name CAS-like Style":"Hydrogen phosphate","IUPAC Name Markup":"Hydrogen phosphate","IUPAC Name Preferred":"Hydrogen phosphate","IUPAC Name Systematic":"Hydrogen phosphate","IUPAC Name Traditional":"Hydrogen phosphate",InChI:"1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2",InChIKey:"NBIIXXVUZAFLBC-UHFFFAOYSA-L","Log P":-2.3,"Exact Mass":95.961245509,"Molecular Formula":"HO4P-2","Molecular Weight":95.979,"Monoisotopic Mass":95.961245509,Charge:-2,"Easy Name":"Hydrogen 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salt"},HSDB:{},ReducedFormula:"C12H10Mg3O14"},3707243:{PUBCHEM:{CID:"3707243","Compound Complexity":247,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"2-phenylchroman-3-ol","IUPAC Name CAS-like Style":"2-phenyl-3,4-dihydro-2H-1-benzopyran-3-ol","IUPAC Name Markup":"2-phenyl-3,4-dihydro-2H-chromen-3-ol","IUPAC Name Preferred":"2-phenyl-3,4-dihydro-2H-chromen-3-ol","IUPAC Name Systematic":"2-phenyl-3,4-dihydro-2H-chromen-3-ol","IUPAC Name Traditional":"2-phenylchroman-3-ol",InChI:"1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2",InChIKey:"OEIJRRGCTVHYTH-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":226.09937969,"Molecular Formula":"C15H14O2","Molecular Weight":226.27,"Monoisotopic Mass":226.09937969,Charge:0,"Easy Name":"Flavan-3-ol","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H14O2"},3716971:{PUBCHEM:{CID:"3716971","Compound Complexity":78,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2-hydroxy-2-oxo-acetate","IUPAC Name CAS-like Style":"2-hydroxy-2-oxoacetate","IUPAC Name Markup":"2-hydroxy-2-oxoacetate","IUPAC Name Preferred":"2-hydroxy-2-oxoacetate","IUPAC Name Systematic":"2-oxidanyl-2-oxidanylidene-ethanoate","IUPAC Name Traditional":"Binoxalate",InChI:"1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-1",InChIKey:"MUBZPKHOEPUJKR-UHFFFAOYSA-M","Log P":.4,"Exact Mass":88.987483511,"Molecular Formula":"C2HO4-","Molecular Weight":89.03,"Monoisotopic Mass":88.987483511,Charge:-1,"Easy Name":"2-hydroxy-2-oxoacetate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C2H1O4"},3766139:{PUBCHEM:{CID:"3766139","Compound Complexity":449,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":8,"IUPAC Name Allowed":"1,4-bis(butylamino)anthracene-9,10-dione","IUPAC Name CAS-like Style":"1,4-bis(butylamino)anthracene-9,10-dione","IUPAC Name Markup":"1,4-bis(butylamino)anthracene-9,10-dione","IUPAC Name Preferred":"1,4-bis(butylamino)anthracene-9,10-dione","IUPAC Name Systematic":"1,4-bis(butylamino)anthracene-9,10-dione","IUPAC Name Traditional":"1,4-bis(butylamino)-9,10-anthraquinone",InChI:"1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3",InChIKey:"OCQDPIXQTSYZJL-UHFFFAOYSA-N","Log P":6.4,"Exact Mass":350.19942809,"Molecular Formula":"C22H26N2O2","Molecular Weight":350.5,"Monoisotopic Mass":350.19942809,Charge:0,"Easy Name":"Oil Blue 35","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C22H26N2O2"},3772977:{PUBCHEM:{CID:"3772977","Compound Complexity":235,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(2,4-dinitrophenyl)hydrazine","IUPAC Name CAS-like Style":"(2,4-dinitrophenyl)hydrazine","IUPAC Name Markup":"(2,4-dinitrophenyl)hydrazine","IUPAC Name Preferred":"(2,4-dinitrophenyl)hydrazine","IUPAC Name Systematic":"(2,4-dinitrophenyl)diazane","IUPAC Name Traditional":"(2,4-dinitrophenyl)hydrazine",InChI:"1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2",InChIKey:"HORQAOAYAYGIBM-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":198.03890469,"Molecular Formula":"C6H6N4O4","Molecular Weight":198.14,"Monoisotopic Mass":198.03890469,Charge:0,"Easy Name":"2, 4-Dinitrophenylhydrazine","Easy Category":"Nitro compound"},HSDB:{},ReducedFormula:"C6H6N4O4"},3783411:{PUBCHEM:{CID:"3783411","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Azaniumylammonium","IUPAC Name CAS-like Style":"Ammonioammonium","IUPAC Name Markup":"Azaniumylazanium","IUPAC Name Preferred":"Azaniumylazanium","IUPAC Name Systematic":"Azaniumylazanium","IUPAC Name Traditional":"Ammonioammonium",InChI:"1S/H6N2/c1-2/h1-2H3/q+2",InChIKey:"DIDREYHESYMPRP-UHFFFAOYSA-N","Log P":-1.5,"Exact Mass":34.053098202,"Molecular Formula":"H6N2+2","Molecular Weight":34.062,"Monoisotopic Mass":34.053098202,Charge:2,"Easy Name":"Diazanediium","Easy Category":"Cation"},HSDB:{},ReducedFormula:"+2H6N2"},3798590:{PUBCHEM:{CID:"3798590","Compound Complexity":3.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltic;azanide","IUPAC Name CAS-like Style":"Azanide;cobalt(3+)","IUPAC Name Markup":"Azanide;cobalt(3+)","IUPAC Name Preferred":"Azanide;cobalt(3+)","IUPAC Name Systematic":"Azanide;cobalt(3+)","IUPAC Name Traditional":"Cobaltic;azanide",InChI:"1S/Co.3H2N/h;3*1H2/q+3;3*-1",InChIKey:"KJTXZVGHFGGWDX-UHFFFAOYSA-N","Exact Mass":106.989366,"Molecular Formula":"CoH6N3","Molecular Weight":107.002,"Monoisotopic Mass":106.989366,Charge:0,"Easy Name":"Cobalt (3+) triazanide","Easy Category":"Inorganic amides"},HSDB:{},ReducedFormula:"Co1H6N3"},3806114:{PUBCHEM:{CID:"3806114","Compound Complexity":123,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"2,3-dihydroxybutanedioate","IUPAC Name CAS-like 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Traditional":"Thioacetate",InChI:"1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)/p-1",InChIKey:"DUYAAUVXQSMXQP-UHFFFAOYSA-M","Log P":.3,"Exact Mass":74.99046089,"Molecular Formula":"C2H3OS-","Molecular Weight":75.11,"Monoisotopic Mass":74.99046089,Charge:-1,"Easy Name":"Thioacetate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C2H3O1S1"},3828587:{PUBCHEM:{CID:"3828587","Compound Complexity":146,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(1-carboxyethoxy)propanoic acid","IUPAC Name CAS-like Style":"2-(1-carboxyethoxy)propanoic acid","IUPAC Name Markup":"2-(1-carboxyethoxy)propanoic acid","IUPAC Name Preferred":"2-(1-carboxyethoxy)propanoic acid","IUPAC Name Systematic":"2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxypropanoic acid","IUPAC Name Traditional":"2-(1-carboxyethoxy)propionic acid",InChI:"1S/C6H10O5/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)",InChIKey:"FBYFHODQAUBIOO-UHFFFAOYSA-N","Log P":.1,"Exact Mass":162.05282342,"Molecular Formula":"C6H10O5","Molecular Weight":162.14,"Monoisotopic Mass":162.05282342,Charge:0,"Easy Name":"Dilactic Acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H10O5"},3868826:{PUBCHEM:{CID:"3868826","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexafluoroantimony(1-)","IUPAC Name CAS-like Style":"Hexafluorostiboranuide","IUPAC Name Markup":"Hexafluoroantimony(1-)","IUPAC Name Preferred":"Hexafluoroantimony(1-)","IUPAC Name Systematic":"Hexakis(fluoranyl)antimony(1-)","IUPAC Name Traditional":"Hexafluorostiboranuide",InChI:"1S/6FH.Sb/h6*1H;/q;;;;;;+5/p-6",InChIKey:"MBAKFIZHTUAVJN-UHFFFAOYSA-H","Exact Mass":234.89423,"Molecular Formula":"F6Sb-","Molecular Weight":235.75,"Monoisotopic Mass":234.89423,Charge:-1,"Easy Name":"Hexafluoroantimonate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1F6Sb1"},3919910:{PUBCHEM:{CID:"3919910","Compound Complexity":312,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"4-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran-5-carboxylic acid","IUPAC Name CAS-like Style":"4-hydroxy-2-(1-methylethenyl)-2,3-dihydrobenzofuran-5-carboxylic acid","IUPAC Name Markup":"4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carboxylic acid","IUPAC Name Preferred":"4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carboxylic acid","IUPAC Name Systematic":"4-oxidanyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carboxylic acid","IUPAC Name Traditional":"4-hydroxy-2-isopropenyl-coumaran-5-carboxylic acid",InChI:"1S/C12H12O4/c1-6(2)10-5-8-9(16-10)4-3-7(11(8)13)12(14)15/h3-4,10,13H,1,5H2,2H3,(H,14,15)",InChIKey:"CMXGHLJKXLIMAQ-UHFFFAOYSA-N","Log P":3,"Exact Mass":220.07355887,"Molecular Formula":"C12H12O4","Molecular Weight":220.22,"Monoisotopic Mass":220.07355887,Charge:0,"Easy Name":"TUBAIC ACID","Easy Category":"Heterocyclic compounds (2 rings)"},HSDB:{},ReducedFormula:"C12H12O4"},3935589:{PUBCHEM:{CID:"3935589","Compound Complexity":538,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"Sodium;3-(4-anilinophenyl)azobenzenesulfonate","IUPAC Name CAS-like Style":"Sodium;3-(4-anilinophenyl)azobenzenesulfonate","IUPAC Name Markup":"Sodium;3-[(4-anilinophenyl)diazenyl]benzenesulfonate","IUPAC Name Preferred":"Sodium;3-[(4-anilinophenyl)diazenyl]benzenesulfonate","IUPAC Name Systematic":"Sodium;3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate","IUPAC Name Traditional":"Sodium;3-(4-anilinophenyl)azobesylate",InChI:"1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1",InChIKey:"NYGZLYXAPMMJTE-UHFFFAOYSA-M","Exact Mass":375.06535678,"Molecular Formula":"C18H14N3NaO3S","Molecular Weight":375.4,"Monoisotopic Mass":375.06535678,Charge:0,"Easy Name":"Metanil Yellow","Easy Category":"Aromatic 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4-dihydroxy-9, 10-dioxo-9, 10-dihydro-2-anthracenesulfonate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C14H7Na1O7S1"},3963005:{PUBCHEM:{CID:"3963005","Compound Complexity":102,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pyridine-4-carboxylate","IUPAC Name CAS-like Style":"4-pyridinecarboxylate","IUPAC Name Markup":"Pyridine-4-carboxylate","IUPAC Name Preferred":"Pyridine-4-carboxylate","IUPAC Name Systematic":"Pyridine-4-carboxylate","IUPAC Name Traditional":"Isonicotinate",InChI:"1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/p-1",InChIKey:"TWBYWOBDOCUKOW-UHFFFAOYSA-M","Log P":1,"Exact Mass":122.024203373,"Molecular Formula":"C6H4NO2-","Molecular Weight":122.1,"Monoisotopic Mass":122.024203373,Charge:-1,"Easy Name":"Isonicotinate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C6H4N1O2"},4063671:{PUBCHEM:{CID:"4063671","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;oxido(dioxo)bismuth","IUPAC Name CAS-like Style":"Sodium;oxido(dioxo)bismuth","IUPAC Name Markup":"Sodium;oxido(dioxo)bismuth","IUPAC Name Preferred":"Sodium;oxido(dioxo)bismuth","IUPAC Name Systematic":"Sodium;oxidanidyl-bis(oxidanylidene)bismuth","IUPAC Name Traditional":"Sodium;diketo(oxido)bismuth",InChI:"1S/Bi.Na.3O/q;+1;;;-1",InChIKey:"PNYYBUOBTVHFDN-UHFFFAOYSA-N","Exact Mass":279.95491,"Molecular Formula":"BiNaO3","Molecular Weight":279.968,"Monoisotopic Mass":279.95491,Charge:0,"Easy Name":"Sodium bismuthate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi1Na1O3"},4070891:{PUBCHEM:{CID:"4070891","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachloroosmium","IUPAC Name CAS-like Style":"Tetrachloroosmium","IUPAC Name Markup":"Tetrachloroosmium","IUPAC Name Preferred":"Tetrachloroosmium","IUPAC Name Systematic":"Tetrakis(chloranyl)osmium","IUPAC Name Traditional":"Tetrachloroosmium",InChI:"1S/4ClH.Os/h4*1H;/q;;;;+4/p-4",InChIKey:"IHUHXSNGMLUYES-UHFFFAOYSA-J","Exact Mass":333.83394,"Molecular Formula":"Cl4Os","Molecular Weight":332,"Monoisotopic Mass":331.83689,Charge:0,"Easy Name":"Osmium (IV) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl4Os1"},4087444:{PUBCHEM:{CID:"4087444","Compound Complexity":73.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Sodium;hexanoate","IUPAC Name CAS-like Style":"Sodium;hexanoate","IUPAC Name Markup":"Sodium;hexanoate","IUPAC Name Preferred":"Sodium;hexanoate","IUPAC Name Systematic":"Sodium;hexanoate","IUPAC Name Traditional":"Sodium;hexanoate",InChI:"1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1",InChIKey:"UDWXLZLRRVQONG-UHFFFAOYSA-M","Exact Mass":138.06567388,"Molecular Formula":"C6H11NaO2","Molecular Weight":138.14,"Monoisotopic Mass":138.06567388,Charge:0,"Easy Name":"Sodium hexanoate","Easy Category":"Organic 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Allowed":"1,6-dibromonaphthalene","IUPAC Name CAS-like Style":"1,6-dibromonaphthalene","IUPAC Name Markup":"1,6-dibromonaphthalene","IUPAC Name Preferred":"1,6-dibromonaphthalene","IUPAC Name Systematic":"1,6-bis(bromanyl)naphthalene","IUPAC Name Traditional":"1,6-dibromonaphthalene",InChI:"1S/C10H6Br2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H",InChIKey:"PUIAXCYSKMFFOU-UHFFFAOYSA-N","Log P":5.4,"Exact Mass":285.88158,"Molecular Formula":"C10H6Br2","Molecular Weight":285.96,"Monoisotopic Mass":283.88363,Charge:0,"Easy Name":"1, 6-dibromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br2C10H6"},4311764:{PUBCHEM:{CID:"4311764","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;boranuide","IUPAC Name CAS-like Style":"Sodium;boranuide","IUPAC Name Markup":"Sodium;boranuide","IUPAC Name Preferred":"Sodium;boranuide","IUPAC Name Systematic":"Sodium;boranuide","IUPAC Name 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acid",InChI:"1S/B4H2O7/c5-1-9-3(7)11-4(8)10-2-6/h7-8H",InChIKey:"RTANKYMJXZNJGQ-UHFFFAOYSA-N","Exact Mass":158.0172731,"Molecular Formula":"B4H2O7","Molecular Weight":157.3,"Monoisotopic Mass":158.0172731,Charge:0,"Easy Name":"Tetraboric acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"B4H2O7"},4343483:{PUBCHEM:{CID:"4343483","Compound Complexity":23,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;tetrafluoroborate","IUPAC Name CAS-like Style":"Sodium;tetrafluoroborate","IUPAC Name Markup":"Sodium;tetrafluoroborate","IUPAC Name Preferred":"Sodium;tetrafluoroborate","IUPAC Name Systematic":"Sodium;tetrafluoroborate","IUPAC Name Traditional":"Sodium;tetrafluoroborate",InChI:"1S/BF4.Na/c2-1(3,4)5;/q-1;+1",InChIKey:"KGJZTOFHXCFQIV-UHFFFAOYSA-N","Exact Mass":109.9926871,"Molecular Formula":"BF4Na","Molecular Weight":109.8,"Monoisotopic Mass":109.9926871,Charge:0,"Easy Name":"Sodium tetrafluoroborate","Easy 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acid"},HSDB:{},ReducedFormula:"C8H12O4"},4389803:{PUBCHEM:{CID:"4389803","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Telluroxolead","IUPAC Name CAS-like Style":"Tellanylidenelead","IUPAC Name Markup":"Tellanylidenelead","IUPAC Name Preferred":"Tellanylidenelead","IUPAC Name Systematic":"Tellanylidenelead","IUPAC Name Traditional":"Telluroxolead",InChI:"1S/Pb.Te",InChIKey:"OCGWQDWYSQAFTO-UHFFFAOYSA-N","Exact Mass":337.88287,"Molecular Formula":"PbTe","Molecular Weight":335,"Monoisotopic Mass":337.88287,Charge:0,"Easy Name":"Lead telluride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Pb1Te1"},4398339:{PUBCHEM:{CID:"4398339","Compound Complexity":63.4,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hexanoate","IUPAC Name CAS-like Style":"Hexanoate","IUPAC Name Markup":"Hexanoate","IUPAC Name Preferred":"Hexanoate","IUPAC Name Systematic":"Hexanoate","IUPAC Name Traditional":"Hexanoate",InChI:"1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1",InChIKey:"FUZZWVXGSFPDMH-UHFFFAOYSA-M","Log P":2.6,"Exact Mass":115.07590459,"Molecular Formula":"C6H11O2-","Molecular Weight":115.15,"Monoisotopic Mass":115.07590459,Charge:-1,"Easy Name":"Hexanoate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C6H11O2"},4482416:{PUBCHEM:{CID:"4482416","Compound Complexity":1090,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(1,4,5-trihydroxy-1,5-dimethyl-2-oxo-hexyl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name CAS-like Style":"2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Markup":"2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Preferred":"2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Systematic":"4,4,9,13,14-pentamethyl-17-[6-methyl-2,5,6-tris(oxidanyl)-3-oxidanylidene-heptan-2-yl]-2,16-bis(oxidanyl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Traditional":"2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(1,4,5-trihydroxy-2-keto-1,5-dimethyl-hexyl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone",InChI:"1S/C30H46O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16-20,23,31-33,37-38H,10-14H2,1-8H3",InChIKey:"ABNDMUIXCBUBLO-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":534.31926844,"Molecular Formula":"C30H46O8","Molecular Weight":534.7,"Monoisotopic Mass":534.31926844,Charge:0,"Easy Name":"Cucurbitacin G","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H46O8"},4571336:{PUBCHEM:{CID:"4571336","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;oxido(dioxo)vanadium","IUPAC Name CAS-like Style":"Potassium;oxido(dioxo)vanadium","IUPAC Name Markup":"Potassium;oxido(dioxo)vanadium","IUPAC Name Preferred":"Potassium;oxido(dioxo)vanadium","IUPAC Name Systematic":"Potassium;oxidanidyl-bis(oxidanylidene)vanadium","IUPAC Name Traditional":"Potassium;diketo(oxido)vanadium",InChI:"1S/K.3O.V/q+1;;;-1;",InChIKey:"BQFYGYJPBUKISI-UHFFFAOYSA-N","Exact Mass":137.892407,"Molecular Formula":"KO3V","Molecular Weight":138.038,"Monoisotopic Mass":137.892407,Charge:0,"Easy Name":"Potassium Metavanadate","Easy Category":"Inorganic 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Markup":"7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethylphenoxazin-3-one","IUPAC Name Preferred":"7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethylphenoxazin-3-one","IUPAC Name Systematic":"7-azanyl-1,9-dimethyl-8-[2-methyl-4,6-bis(oxidanyl)phenyl]phenoxazin-3-one","IUPAC Name Traditional":"7-amino-8-(2,4-dihydroxy-6-methyl-phenyl)-1,9-dimethyl-phenoxazin-3-one",InChI:"1S/C21H18N2O4/c1-9-4-12(24)6-15(26)18(9)19-11(3)21-17(8-14(19)22)27-16-7-13(25)5-10(2)20(16)23-21/h4-8,24,26H,22H2,1-3H3",InChIKey:"NNZHGEUZKBYASA-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":362.12665707,"Molecular Formula":"C21H18N2O4","Molecular Weight":362.4,"Monoisotopic Mass":362.12665707,Charge:0,"Easy Name":"Α-aminoorcein","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C21H18N2O4"},5047209:{PUBCHEM:{CID:"5047209","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfanide","IUPAC Name CAS-like Style":"Sulfanide","IUPAC Name Markup":"Sulfanide","IUPAC Name Preferred":"Sulfanide","IUPAC Name Systematic":"Sulfanide","IUPAC Name Traditional":"Bisulfide",InChI:"1S/H2S/h1H2/p-1",InChIKey:"RWSOTUBLDIXVET-UHFFFAOYSA-M","Log P":.5,"Exact Mass":32.97989621,"Molecular Formula":"HS-","Molecular Weight":33.08,"Monoisotopic Mass":32.97989621,Charge:-1,"Easy Name":"Bisulfide","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1H1S1"},5083724:{PUBCHEM:{CID:"5083724","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxopalladium","IUPAC Name CAS-like Style":"Oxopalladium","IUPAC Name Markup":"Oxopalladium","IUPAC Name Preferred":"Oxopalladium","IUPAC Name Systematic":"Oxidanylidenepalladium","IUPAC Name Traditional":"Ketopalladium",InChI:"1S/O.Pd",InChIKey:"HBEQXAKJSGXAIQ-UHFFFAOYSA-N","Exact Mass":121.89839,"Molecular Formula":"OPd","Molecular Weight":122.4,"Monoisotopic Mass":121.89839,Charge:0,"Easy Name":"Palladium (II) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O1Pd1"},5086400:{PUBCHEM:{CID:"5086400","Compound Complexity":633,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name CAS-like Style":"2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol","IUPAC Name Markup":"2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Preferred":"2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Systematic":"2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Traditional":"2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol",InChI:"1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3",InChIKey:"LDKAMVCGTURXMH-UHFFFAOYSA-N","Log P":6.1,"Exact Mass":392.19875938,"Molecular Formula":"C25H28O4","Molecular Weight":392.5,"Monoisotopic Mass":392.19875938,Charge:0,"Easy Name":"Erythrabyssin II","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C25H28O4"},5107658:{PUBCHEM:{CID:"5107658","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;oxido(trioxo)rhenium","IUPAC Name CAS-like Style":"Sodium;oxido(trioxo)rhenium","IUPAC Name Markup":"Sodium;oxido(trioxo)rhenium","IUPAC Name Preferred":"Sodium;oxido(trioxo)rhenium","IUPAC Name Systematic":"Sodium;oxidanidyl-tris(oxidanylidene)rhenium","IUPAC Name Traditional":"Sodium;triketo(oxido)rhenium",InChI:"1S/Na.4O.Re/q+1;;;;-1;",InChIKey:"KMISVFTVBOPTAI-UHFFFAOYSA-N","Exact Mass":273.92518,"Molecular Formula":"NaO4Re","Molecular Weight":273.19,"Monoisotopic Mass":273.92518,Charge:0,"Easy Name":"Sodium Perrhenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na1O4Re1"},5124753:{PUBCHEM:{CID:"5124753","Compound Complexity":333,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"N-[(4-bromophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine","IUPAC Name CAS-like Style":"N-[(4-bromophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine","IUPAC Name Markup":"N-[(4-bromophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine","IUPAC Name Preferred":"N-[(4-bromophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine","IUPAC Name Systematic":"N-[(4-bromophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine","IUPAC Name Traditional":"(4-bromobenzyl)-[2-(5-methoxy-1H-indol-3-yl)ethyl]amine",InChI:"1S/C18H19BrN2O/c1-22-16-6-7-18-17(10-16)14(12-21-18)8-9-20-11-13-2-4-15(19)5-3-13/h2-7,10,12,20-21H,8-9,11H2,1H3",InChIKey:"XHLOUFPZLUULGI-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":358.06808,"Molecular Formula":"C18H19BrN2O","Molecular Weight":359.3,"Monoisotopic Mass":358.06808,Charge:0,"Easy Name":"5-MeO-NBpBrT","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C18H19N2O1"},5139834:{PUBCHEM:{CID:"5139834","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxogallanyloxy)gallane","IUPAC Name CAS-like Style":"Oxo(oxogallanyloxy)gallane","IUPAC Name Markup":"Oxo(oxogallanyloxy)gallane","IUPAC Name Preferred":"Oxo(oxogallanyloxy)gallane","IUPAC Name Systematic":"Oxidanylidene(oxidanylidenegallanyloxy)gallane","IUPAC Name Traditional":"Keto(ketogallanyloxy)gallane",InChI:"1S/2Ga.3O",InChIKey:"QZQVBEXLDFYHSR-UHFFFAOYSA-N","Exact Mass":187.83502,"Molecular Formula":"Ga2O3","Molecular Weight":187.44,"Monoisotopic Mass":185.83589,Charge:0,"Easy Name":"Gallium (III) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Ga2O3"},5145251:{PUBCHEM:{CID:"5145251","Compound Complexity":80.7,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;dithiocyanate","IUPAC Name CAS-like Style":"Nickel(2+);dithiocyanate","IUPAC Name Markup":"Nickel(2+);dithiocyanate","IUPAC Name Preferred":"Nickel(2+);dithiocyanate","IUPAC Name Systematic":"Nickel(2+);dithiocyanate","IUPAC Name Traditional":"Nickelous;dithiocyanate",InChI:"1S/2CHNS.Ni/c2*2-1-3;/h2*3H;/q;;+2/p-2",InChIKey:"ALYMILAYQDOMFU-UHFFFAOYSA-L","Exact Mass":173.885632,"Molecular Formula":"C2N2NiS2","Molecular Weight":174.86,"Monoisotopic Mass":173.885632,Charge:0,"Easy Name":"Nickel (II) thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C2N2Ni1S2"},5152919:{PUBCHEM:{CID:"5152919","Compound Complexity":34.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;acetate","IUPAC Name CAS-like Style":"Cesium;acetate","IUPAC Name Markup":"Cesium;acetate","IUPAC Name Preferred":"Cesium;acetate","IUPAC Name Systematic":"Cesium;ethanoate","IUPAC Name Traditional":"Cesium;acetate",InChI:"1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",InChIKey:"ZOAIGCHJWKDIPJ-UHFFFAOYSA-M","Exact Mass":191.9187563,"Molecular Formula":"C2H3CsO2","Molecular Weight":191.95,"Monoisotopic Mass":191.9187563,Charge:0,"Easy Name":"Caesium acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2Cs1H3O2"},5153193:{PUBCHEM:{CID:"5153193","Compound Complexity":19.1,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrafluorovanadium","IUPAC Name CAS-like Style":"Tetrafluorovanadium","IUPAC Name Markup":"Tetrafluorovanadium","IUPAC Name Preferred":"Tetrafluorovanadium","IUPAC Name Systematic":"Tetrakis(fluoranyl)vanadium","IUPAC Name Traditional":"Tetrafluorovanadium",InChI:"1S/4FH.V/h4*1H;/q;;;;+4/p-4",InChIKey:"JTWLHYPUICYOLE-UHFFFAOYSA-J","Exact Mass":126.93757,"Molecular Formula":"F4V","Molecular Weight":126.935,"Monoisotopic Mass":126.93757,Charge:0,"Easy Name":"Vanadium tetrafluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F4V1"},5222465:{PUBCHEM:{CID:"5222465","Compound Complexity":53.7,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Sodium;butanoate","IUPAC Name CAS-like Style":"Sodium;butanoate","IUPAC Name Markup":"Sodium;butanoate","IUPAC Name Preferred":"Sodium;butanoate","IUPAC Name Systematic":"Sodium;butanoate","IUPAC Name Traditional":"Sodium;butyrate",InChI:"1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1",InChIKey:"MFBOGIVSZKQAPD-UHFFFAOYSA-M","Exact Mass":110.03437375,"Molecular Formula":"C4H7NaO2","Molecular Weight":110.09,"Monoisotopic Mass":110.03437375,Charge:0,"Easy Name":"Sodium butyrate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C4H7Na1O2"},5241825:{PUBCHEM:{CID:"5241825","Compound Complexity":612,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione","IUPAC Name CAS-like Style":"1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione","IUPAC Name Markup":"1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione","IUPAC Name Preferred":"1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione","IUPAC Name Systematic":"1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione","IUPAC Name Traditional":"1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-quinone",InChI:"1S/C15H14O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,13H,5H2,1-3H3",InChIKey:"BAHMQESJBKGPTE-UHFFFAOYSA-N","Log P":.9,"Exact Mass":242.09429431,"Molecular Formula":"C15H14O3","Molecular Weight":242.27,"Monoisotopic Mass":242.09429431,Charge:0,"Easy Name":"Taraxacin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C15H14O3"},5247411:{PUBCHEM:{CID:"5247411","Compound Complexity":204,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"Piperidine-3,4-dicarboxylic acid","IUPAC Name CAS-like Style":"Piperidine-3,4-dicarboxylic acid","IUPAC Name Markup":"Piperidine-3,4-dicarboxylic acid","IUPAC Name Preferred":"Piperidine-3,4-dicarboxylic acid","IUPAC Name Systematic":"Piperidine-3,4-dicarboxylic acid","IUPAC Name Traditional":"Piperidine-3,4-dicarboxylic acid",InChI:"1S/C7H11NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)",InChIKey:"UBLWASUIZDSYFN-UHFFFAOYSA-N","Log P":-3.3,"Exact Mass":173.06880784,"Molecular Formula":"C7H11NO4","Molecular Weight":173.17,"Monoisotopic Mass":173.06880784,Charge:0,"Easy Name":"Piperidine-3, 4-dicarboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C7H11N1O4"},5251191:{PUBCHEM:{CID:"5251191","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trichlorotungsten","IUPAC Name CAS-like Style":"Trichlorotungsten","IUPAC Name Markup":"Trichlorotungsten","IUPAC Name Preferred":"Trichlorotungsten","IUPAC Name Systematic":"Tris(chloranyl)tungsten","IUPAC Name Traditional":"Trichlorotungsten",InChI:"1S/3ClH.W/h3*1H;/q;;;+3/p-3",InChIKey:"KBSJJSOGQSGFRD-UHFFFAOYSA-K","Exact Mass":288.857491,"Molecular Formula":"Cl3W","Molecular Weight":290.2,"Monoisotopic Mass":288.857491,Charge:0,"Easy Name":"Trichlorotungsten","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl3W1"},5280329:{PUBCHEM:{CID:"5280329","Compound Complexity":1620,"Hydrogen Bond Acceptor":23,"Hydrogen Bond Donor":10,"Rotatable Bond":22,"IUPAC Name Allowed":"S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-(4-hydroxyphenyl)prop-2-enethioate","IUPAC Name CAS-like Style":"(E)-3-(4-hydroxyphenyl)-2-propenethioic acid S-[2-[[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester","IUPAC Name Markup":"S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(4-hydroxyphenyl)prop-2-enethioate","IUPAC Name Preferred":"S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(4-hydroxyphenyl)prop-2-enethioate","IUPAC Name Systematic":"S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-(4-hydroxyphenyl)prop-2-enethioate","IUPAC Name Traditional":"(E)-3-(4-hydroxyphenyl)prop-2-enethioic acid S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ester",InChI:"1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/b8-5+/t19-,23-,24-,25?,29-/m1/s1",InChIKey:"DMZOKBALNZWDKI-AZKRPDILSA-N","Log P":-3.9,"Exact Mass":913.15198971,"Molecular Formula":"C30H42N7O18P3S","Molecular Weight":913.7,"Monoisotopic Mass":913.15198971,Charge:0,"Easy Name":"Coumaroyl-CoA","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C30H42N7O18P3S1"},5280335:{PUBCHEM:{CID:"5280335","Compound Complexity":231,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":15,"IUPAC Name Allowed":"(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol","IUPAC Name CAS-like Style":"(E,2S,3R)-2-amino-4-octadecene-1,3-diol","IUPAC Name Markup":"(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol","IUPAC Name Preferred":"(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol","IUPAC Name Systematic":"(E,2S,3R)-2-azanyloctadec-4-ene-1,3-diol","IUPAC Name Traditional":"(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol",InChI:"1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",InChIKey:"WWUZIQQURGPMPG-KRWOKUGFSA-N","Log P":5.3,"Exact Mass":299.28242944,"Molecular Formula":"C18H37NO2","Molecular Weight":299.5,"Monoisotopic Mass":299.28242944,Charge:0,"Easy Name":"Sphingosine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C18H37N1O2"},5280343:{PUBCHEM:{CID:"5280343","Compound Complexity":488,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone",InChI:"1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",InChIKey:"REFJWTPEDVJJIY-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":302.04265266,"Molecular Formula":"C15H10O7","Molecular Weight":302.23,"Monoisotopic Mass":302.04265266,Charge:0,"Easy Name":"Quercetin","Easy Category":"Antioxidant"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"Yellow needles (dilute alcohol, +2 water)"},"Melting Point":{Value:"316.5 °C"},Solubility:{Value:"Very soluble in ether, methanol; soluble in ethanol, acetone, pyridine, acetic acid"},Uses:{Value:"Dietary supplement"},"Vapor Pressure":{Value:"2.81X10-14 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H10O7"},5280352:{PUBCHEM:{CID:"5280352","Compound Complexity":1340,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":6,"Rotatable Bond":12,"IUPAC Name Allowed":"3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid","IUPAC Name CAS-like Style":"3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","IUPAC Name Markup":"3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","IUPAC Name Preferred":"3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","IUPAC Name Systematic":"3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid","IUPAC Name Traditional":"3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid",InChI:"1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-",InChIKey:"BPYKTIZUTYGOLE-IFADSCNNSA-N","Log P":2.9,"Exact Mass":584.2634849,"Molecular Formula":"C33H36N4O6","Molecular Weight":584.7,"Monoisotopic Mass":584.2634849,Charge:0,"Easy Name":"Bilirubin","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C33H36N4O6"},5280373:{PUBCHEM:{CID:"5280373","Compound Complexity":424,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"3-(4-methoxyphenyl)-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-3-(4-methoxyphenyl)chromone",InChI:"1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",InChIKey:"WUADCCWRTIWANL-UHFFFAOYSA-N","Log P":3,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":"Biochanin A","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C16H12O5"},5280378:{PUBCHEM:{CID:"5280378","Compound Complexity":395,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"7-hydroxy-3-(4-methoxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"7-hydroxy-3-(4-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"7-hydroxy-3-(4-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"3-(4-methoxyphenyl)-7-oxidanyl-chromen-4-one","IUPAC Name Traditional":"7-hydroxy-3-(4-methoxyphenyl)chromone",InChI:"1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3",InChIKey:"HKQYGTCOTHHOMP-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":268.07355887,"Molecular Formula":"C16H12O4","Molecular Weight":268.26,"Monoisotopic Mass":268.07355887,Charge:0,"Easy Name":"Formononetin","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C16H12O4"},5280379:{PUBCHEM:{CID:"5280379","Compound Complexity":731,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid","IUPAC Name CAS-like Style":"(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid","IUPAC Name Markup":"(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid","IUPAC Name Preferred":"(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid","IUPAC Name Systematic":"(1R,2R,5S,8S,9S,10R,11S,12S)-11-methyl-6-methylidene-5,12-bis(oxidanyl)-16-oxidanylidene-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid","IUPAC Name Traditional":"(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-16-keto-11-methyl-6-methylene-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid",InChI:"1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",InChIKey:"JLJLRLWOEMWYQK-OBDJNFEBSA-N","Log P":.2,"Exact Mass":348.15728849,"Molecular Formula":"C19H24O6","Molecular Weight":348.4,"Monoisotopic Mass":348.15728849,Charge:0,"Easy Name":"Gibberellin A1","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C19H24O6"},5280389:{PUBCHEM:{CID:"5280389","Compound Complexity":562,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one","IUPAC Name CAS-like Style":"(3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]eicosa-1,4,9,11,14,16,18-heptaen-13-one","IUPAC Name Markup":"(3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one","IUPAC Name Preferred":"(3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one","IUPAC Name Systematic":"(3S,7R)-11-methoxy-15-oxidanyl-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one","IUPAC Name Traditional":"(3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]eicosa-1,4,9,11,14,16,18-heptaen-13-one",InChI:"1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1",InChIKey:"UTSVPXMQSFGQTM-DCXZOGHSSA-N","Log P":3.4,"Exact Mass":324.0633881,"Molecular Formula":"C18H12O6","Molecular Weight":324.3,"Monoisotopic Mass":324.0633881,Charge:0,"Easy Name":"Sterigmatocystin","Easy Category":"Mycotoxins"},HSDB:{"Color And Form":{Value:"Pale-yellow crystals"},"Melting Point":{Value:"246 °C with decomp"},Solubility:{Value:"Insol in strong aq alkali; sparingly sol in most organic solvents; readily sol in dimethylsulfoxide, chloroform, pyridine"},"Vapor Pressure":{Value:"1.73X10-10 mm Hg at 25 °C (est)"}},ReducedFormula:"C18H12O6"},5280441:{PUBCHEM:{CID:"5280441","Compound Complexity":690,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":7,"Rotatable Bond":3,"IUPAC Name Allowed":"5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","IUPAC Name Systematic":"8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone",InChI:"1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1",InChIKey:"SGEWCQFRYRRZDC-VPRICQMDSA-N","Log P":.2,"Exact Mass":432.10564684,"Molecular Formula":"C21H20O10","Molecular Weight":432.4,"Monoisotopic Mass":432.10564684,Charge:0,"Easy Name":"Vitexin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C21H20O10"},5280443:{PUBCHEM:{CID:"5280443","Compound Complexity":411,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-2-(4-hydroxyphenyl)chromone",InChI:"1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",InChIKey:"KZNIFHPLKGYRTM-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":270.05282342,"Molecular Formula":"C15H10O5","Molecular Weight":270.24,"Monoisotopic Mass":270.05282342,Charge:0,"Easy Name":"Apigenin","Easy Category":"Flavonoid"},HSDB:{"Color And Form":{Value:"Yellow needles from aqueous pyridine"},"Melting Point":{Value:"345-350 °C"},Solubility:{Value:"Soluble in ethanol, pyridine, concentrated sulfuric acid; very soluble in dilute alkalies"},Uses:{Value:"Used as a research chemical, anti-viral agents, anti-tumor, bowel disease and skin conditions. Active ingredient in chamomile, used for indigestion ..."},"Vapor Pressure":{Value:"1.01X10-10 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H10O5"},5280445:{PUBCHEM:{CID:"5280445","Compound Complexity":447,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone",InChI:"1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",InChIKey:"IQPNAANSBPBGFQ-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":286.04773804,"Molecular Formula":"C15H10O6","Molecular Weight":286.24,"Monoisotopic Mass":286.04773804,Charge:0,"Easy Name":"Luteolin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O6"},5280448:{PUBCHEM:{CID:"5280448","Compound Complexity":432,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one","IUPAC Name CAS-like Style":"7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"3-(4-methoxy-3-oxidanyl-phenyl)-7-oxidanyl-chromen-4-one","IUPAC Name Traditional":"7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromone",InChI:"1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3",InChIKey:"ZZAJQOPSWWVMBI-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":"Calycosin","Easy Category":"Isoflavones"},HSDB:{"Color And Form":{Value:"White to off-white powder"},Solubility:{Value:"In water, 542.1 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"2.4X10-10 mm Hg at 25 °C (est)"}},ReducedFormula:"C16H12O5"},5280450:{PUBCHEM:{CID:"5280450","Compound Complexity":267,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":14,"IUPAC Name Allowed":"(9Z,12Z)-octadeca-9,12-dienoic acid","IUPAC Name CAS-like Style":"(9Z,12Z)-octadeca-9,12-dienoic acid","IUPAC Name Markup":"(9Z,12Z)-octadeca-9,12-dienoic acid","IUPAC Name Preferred":"(9Z,12Z)-octadeca-9,12-dienoic acid","IUPAC Name Systematic":"(9Z,12Z)-octadeca-9,12-dienoic acid","IUPAC Name Traditional":"(9Z,12Z)-octadeca-9,12-dienoic acid",InChI:"1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",InChIKey:"OYHQOLUKZRVURQ-HZJYTTRNSA-N","Log P":6.8,"Exact Mass":280.24023027,"Molecular Formula":"C18H32O2","Molecular Weight":280.4,"Monoisotopic Mass":280.24023027,Charge:0,"Easy Name":"Linoleic acid","Easy Category":"Fatty acid"},HSDB:{"Boiling Point":{Value:"230 °C at 16 mm Hg; 202 °C at 1.4 mm Hg"},"Color And Form":{Value:"Colorless oil"},Density:{Value:"0.9022 g/cu cm at 20 °C"},"Melting Point":{Value:"-6.9 °C"},"Refractive Index":{Value:"Index of refraction: 1.4715 at 11.5 °C/D, 1.4699 at 20 °C/D, 1.4683 at 21.5 °C/D, 1.4588 at 50 °C/D"},Solubility:{Value:"In water, 1.59 mg/L at 25 °C"},Uses:{Value:"Manufacture paints, coatings, emulsifiers, vitamins. Aluminum salt used to manufacture lacquers."},"Vapor Pressure":{Value:"8.68X10-7 mm Hg at 25 °C"}},ReducedFormula:"C18H32O2"},5280458:{PUBCHEM:{CID:"5280458","Compound Complexity":479,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":6,"Rotatable Bond":18,"IUPAC Name Allowed":"(2R,3R,4S,5R,6R)-2-[(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3R,4S,5R,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Markup":"(2R,3R,4S,5R,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3R,4S,5R,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3R,4S,5R,6R)-2-[(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Traditional":"(2R,3R,4S,5R,6R)-2-[(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enoxy]-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1",InChIKey:"HHJTWTPUPVQKNA-PIIMIWFASA-N","Log P":3.7,"Exact Mass":461.33525286,"Molecular Formula":"C24H47NO7","Molecular Weight":461.6,"Monoisotopic Mass":461.33525286,Charge:0,"Easy Name":"Psychosine","Easy Category":"Lipid"},HSDB:{},ReducedFormula:"C24H47N1O7"},5280460:{PUBCHEM:{CID:"5280460","Compound Complexity":261,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"7-hydroxy-6-methoxy-chromen-2-one","IUPAC Name CAS-like Style":"7-hydroxy-6-methoxy-1-benzopyran-2-one","IUPAC Name Markup":"7-hydroxy-6-methoxychromen-2-one","IUPAC Name Preferred":"7-hydroxy-6-methoxychromen-2-one","IUPAC Name Systematic":"6-methoxy-7-oxidanyl-chromen-2-one","IUPAC Name Traditional":"Scopoletin",InChI:"1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",InChIKey:"RODXRVNMMDRFIK-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":192.042258736,"Molecular Formula":"C10H8O4","Molecular Weight":192.17,"Monoisotopic Mass":192.042258736,Charge:0,"Easy Name":"Scopoletin","Easy Category":"Coumarins"},HSDB:{},ReducedFormula:"C10H8O4"},5280483:{PUBCHEM:{CID:"5280483","Compound Complexity":696,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":14,"IUPAC Name Allowed":"2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione","IUPAC Name CAS-like Style":"2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione","IUPAC Name Markup":"2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione","IUPAC Name Preferred":"2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione","IUPAC Name Systematic":"2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione","IUPAC Name Traditional":"2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-naphthoquinone",InChI:"1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+",InChIKey:"MBWXNTAXLNYFJB-LKUDQCMESA-N","Log P":10.9,"Exact Mass":450.34978072,"Molecular Formula":"C31H46O2","Molecular Weight":450.7,"Monoisotopic Mass":450.34978072,Charge:0,"Easy Name":"Vitamin K","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"140-145 °C @ 0.001 mm Hg"},"Color And Form":{Value:"Yellow viscous oil"},Density:{Value:"0.964 @ 25 °C/25 °C"},"Melting Point":{Value:"-20 °C"},Odor:{Value:"Odorless"},pH:{Value:"SOLN OF 1 PART VIT K1 & 20 PARTS ALC IS NEUTRAL TO LITMUS"},"Refractive Index":{Value:"Index of refraction: 1.5263 @ 20 °C/D; specific optical rotation (dioxane): -0.28 @ 589 nm"},Solubility:{Value:"Insoluble in water; sparingly soluble in methanol; sol in ethanol; sol in acetone, benzene, petroleum ether, hexane, and dioxane; sol in chloroform, and other fat solvents; sol in vegetable oils"},Uses:{Value:"MEDICATION (VET)"}},ReducedFormula:"C31H46O2"},5280489:{PUBCHEM:{CID:"5280489","Compound Complexity":1120,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":10,"IUPAC Name Allowed":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name CAS-like Style":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name Markup":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name Preferred":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name Systematic":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name Traditional":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",InChI:"1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",InChIKey:"OENHQHLEOONYIE-JLTXGRSLSA-N","Log P":13.5,"Exact Mass":536.43820181,"Molecular Formula":"C40H56","Molecular Weight":536.9,"Monoisotopic Mass":536.43820181,Charge:0,"Easy Name":"Beta-Carotene","Easy Category":"Carotenoid"},HSDB:{"Color And Form":{Value:"Deep purple, hexagonal prisms from benzene and methanol"},Density:{Value:"1.00 at 20 °C/20 °C"},"Melting Point":{Value:"183 °C (evacuated tube)"},Solubility:{Value:"Sol in benzene, chloroform, carbon disulfide; moderately sol in ether, petroleum ether, oils; 100 ml hexane dissolve 109 mg at 0 °C; very sparingly sol in methanol and ethanol; practically insol in water, acids, alkalies"},Uses:{Value:"Yellow coloring agent for foods."},"Vapor Pressure":{Value:"1.8X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C40H56"},5280490:{PUBCHEM:{CID:"5280490","Compound Complexity":522,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal","IUPAC Name CAS-like Style":"(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal","IUPAC Name Markup":"(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal","IUPAC Name Preferred":"(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal","IUPAC Name Systematic":"(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal","IUPAC Name Traditional":"(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",InChI:"1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+",InChIKey:"NCYCYZXNIZJOKI-IOUUIBBYSA-N","Log P":6.2,"Exact Mass":284.21401552,"Molecular Formula":"C20H28O","Molecular Weight":284.4,"Monoisotopic Mass":284.21401552,Charge:0,"Easy Name":"11-cis-Retinal","Easy Category":"Vitamin"},HSDB:{},ReducedFormula:"C20H28O1"},5280498:{PUBCHEM:{CID:"5280498","Compound Complexity":147,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-pent-2-enedioic acid","IUPAC Name CAS-like Style":"(E)-2-pentenedioic acid","IUPAC Name Markup":"(E)-pent-2-enedioic acid","IUPAC Name Preferred":"(E)-pent-2-enedioic acid","IUPAC Name Systematic":"(E)-pent-2-enedioic acid","IUPAC Name Traditional":"(E)-pent-2-enedioic acid",InChI:"1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+",InChIKey:"XVOUMQNXTGKGMA-OWOJBTEDSA-N","Log P":-.3,"Exact Mass":130.026608672,"Molecular Formula":"C5H6O4","Molecular Weight":130.1,"Monoisotopic Mass":130.026608672,Charge:0,"Easy Name":"Trans-Glutaconic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C5H6O4"},5280505:{PUBCHEM:{CID:"5280505","Compound Complexity":335,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enyl] formate","IUPAC Name CAS-like Style":"Formic acid [(E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-1-enyl] ester","IUPAC Name Markup":"[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enyl] formate","IUPAC Name Preferred":"[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enyl] formate","IUPAC Name Systematic":"[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enyl] methanoate","IUPAC Name Traditional":"Formic acid [(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enyl] ester",InChI:"1S/C15H24O2/c1-12(10-17-11-16)7-8-14-13(2)6-5-9-15(14,3)4/h10-11H,5-9H2,1-4H3/b12-10+",InChIKey:"MJURCEOLOMHLAX-ZRDIBKRKSA-N","Log P":4.2,"Exact Mass":236.17763001,"Molecular Formula":"C15H24O2","Molecular Weight":236.35,"Monoisotopic Mass":236.17763001,Charge:0,"Easy Name":"Latia luciferin","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C15H24O2"},5280518:{PUBCHEM:{CID:"5280518","Compound Complexity":168,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(2Z,4Z)-hexa-2,4-dienedioic acid","IUPAC Name CAS-like Style":"(2Z,4Z)-hexa-2,4-dienedioic acid","IUPAC Name Markup":"(2Z,4Z)-hexa-2,4-dienedioic acid","IUPAC Name Preferred":"(2Z,4Z)-hexa-2,4-dienedioic acid","IUPAC Name Systematic":"(2Z,4Z)-hexa-2,4-dienedioic acid","IUPAC Name Traditional":"(2Z,4Z)-muconic acid",InChI:"1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-",InChIKey:"TXXHDPDFNKHHGW-CCAGOZQPSA-N","Log P":.2,"Exact Mass":142.026608672,"Molecular Formula":"C6H6O4","Molecular Weight":142.11,"Monoisotopic Mass":142.026608672,Charge:0,"Easy Name":"Cis, cis-Muconic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H6O4"},5280601:{PUBCHEM:{CID:"5280601","Compound Complexity":785,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":7,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",InChI:"1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",InChIKey:"VSUOKLTVXQRUSG-ZFORQUDYSA-N","Log P":.8,"Exact Mass":462.07982602,"Molecular Formula":"C21H18O12","Molecular Weight":462.4,"Monoisotopic Mass":462.07982602,Charge:0,"Easy Name":"Luteolin 7-O-β-D-glucosiduronic acid","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H18O12"},5280614:{PUBCHEM:{CID:"5280614","Compound Complexity":168,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(2Z,4E)-hexa-2,4-dienedioic acid","IUPAC Name CAS-like Style":"(2Z,4E)-hexa-2,4-dienedioic acid","IUPAC Name Markup":"(2Z,4E)-hexa-2,4-dienedioic acid","IUPAC Name Preferred":"(2Z,4E)-hexa-2,4-dienedioic acid","IUPAC Name Systematic":"(2Z,4E)-hexa-2,4-dienedioic acid","IUPAC Name Traditional":"(2Z,4E)-muconic acid",InChI:"1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2+",InChIKey:"TXXHDPDFNKHHGW-HSFFGMMNSA-N","Log P":.2,"Exact Mass":142.026608672,"Molecular Formula":"C6H6O4","Molecular Weight":142.11,"Monoisotopic Mass":142.026608672,Charge:0,"Easy Name":" (2Z, 4E)-2, 4-Hexadienedioic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H6O4"},5280637:{PUBCHEM:{CID:"5280637","Compound Complexity":714,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":7,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",InChIKey:"PEFNSGRTCBGNAN-QNDFHXLGSA-N","Log P":.5,"Exact Mass":448.10056146,"Molecular Formula":"C21H20O11","Molecular Weight":448.4,"Monoisotopic Mass":448.10056146,Charge:0,"Easy Name":"Cynaroside","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H20O11"},5280666:{PUBCHEM:{CID:"5280666","Compound Complexity":462,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone",InChI:"1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3",InChIKey:"SCZVLDHREVKTSH-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":300.0633881,"Molecular Formula":"C16H12O6","Molecular Weight":300.26,"Monoisotopic Mass":300.0633881,Charge:0,"Easy Name":"Chrysoeriol","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C16H12O6"},5280746:{PUBCHEM:{CID:"5280746","Compound Complexity":923,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":8,"Rotatable Bond":7,"IUPAC Name Allowed":"7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"7-[[(2S,3R,4S,5S,6R)-3-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one","IUPAC Name Traditional":"7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromone",InChI:"1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1",InChIKey:"NTDLXWMIWOECHG-YRCFQSNFSA-N","Log P":-.4,"Exact Mass":564.14790558,"Molecular Formula":"C26H28O14","Molecular Weight":564.5,"Monoisotopic Mass":564.14790558,Charge:0,"Easy Name":"Apiin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C26H28O14"},5280793:{PUBCHEM:{CID:"5280793","Compound Complexity":678,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol","IUPAC Name CAS-like Style":"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol","IUPAC Name Markup":"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol","IUPAC Name Preferred":"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol","IUPAC Name Systematic":"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol","IUPAC Name Traditional":"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol",InChI:"1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1",InChIKey:"MECHNRXZTMCUDQ-RKHKHRCZSA-N","Log P":7.4,"Exact Mass":396.33921604,"Molecular Formula":"C28H44O","Molecular Weight":396.6,"Monoisotopic Mass":396.33921604,Charge:0,"Easy Name":"Ergocalciferol","Easy Category":"Vitamin"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"Prisms from acetone"},"Melting Point":{Value:"116.5 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Soluble in alcohol, chloroform, ether, and fatty oils."},Taste:{Value:"Medications associated with a metallic or bitter taste include ... vitamin D."},Uses:{Value:"MEDICATION"}},ReducedFormula:"C28H44O1"},5280804:{PUBCHEM:{CID:"5280804","Compound Complexity":758,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",InChIKey:"OVSQVDMCBVZWGM-QSOFNFLRSA-N","Log P":.4,"Exact Mass":464.09547608,"Molecular Formula":"C21H20O12","Molecular Weight":464.4,"Monoisotopic Mass":464.09547608,Charge:0,"Easy Name":"Isoquercetin","Easy Category":"Glycoside"},HSDB:{"Color And Form":{Value:"Spheroidal tears up to 32 mm in diameter; also flakes and powder"},Density:{Value:"1.35-1.49 (samples dried @ 100 °C are heavier)"},Odor:{Value:"SOLN OF GOOD GRADES ARE PRACTICALLY ODORLESS"},pH:{Value:"Aq soln acid to litmus"},Solubility:{Value:"READILY SOL IN WATER"},Taste:{Value:"SOLN OF GOOD GRADES ARE PRACTICALLY TASTELESS"},Uses:{Value:"DEMULCENT IN COUGH MIXTURES AND EMULSIONS; IN PREPN OF LOZENGES; BINDING MEDIUM FOR FLAMMABLE MATERIALS OF MATCHES; IN MFR OF WATER COLORS; HAS BEEN EMPLOYED IN COLOR PRINTING AS ANTI-OFFSET AGENT"},Viscosity:{Value:"VISCOSITIES OF GUM ARABIC SOLN ARE RELATIVELY LOW WITH A VISCOSITY OF 200 CPS HAVING BEEN REPORTED FOR 30% SOLN; MAX VISCOSITY IS ATTAINED @ PH 6-7 WITH ONLY GRADUAL CHANGE OVER PH RANGE 5-10; VISCOSITY INCR GRADUALLY AS CONCN IS INCR UP TO 20-25%, @ WHICH POINT MORE MARKED INCR TAKES PLACE; VISCOSITY OF GUM ARABIC SOLN DECR WITH TEMP"}},ReducedFormula:"C21H20O12"},5280805:{PUBCHEM:{CID:"5280805","Compound Complexity":1020,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":10,"Rotatable Bond":6,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",InChIKey:"IKGXIBQEEMLURG-NVPNHPEKSA-N","Log P":-1.3,"Exact Mass":610.15338488,"Molecular Formula":"C27H30O16","Molecular Weight":610.5,"Monoisotopic Mass":610.15338488,Charge:0,"Easy Name":"Rutin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C27H30O16"},5280863:{PUBCHEM:{CID:"5280863","Compound Complexity":451,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one","IUPAC Name Traditional":"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone",InChI:"1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",InChIKey:"IYRMWMYZSQPJKC-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":286.04773804,"Molecular Formula":"C15H10O6","Molecular Weight":286.24,"Monoisotopic Mass":286.04773804,Charge:0,"Easy Name":"Kaempferol","Easy Category":"Flavonoid"},HSDB:{"Color And Form":{Value:"Yellow needles from alcohol and water"},"Melting Point":{Value:"277 °C"},Solubility:{Value:"Soluble in hot alcohol, ether or alkalies"},Uses:{Value:"Antioxidants useful in cosmetics. /From table/"},"Vapor Pressure":{Value:"1.1X10-13mm Hg at 25 °C (est)"}},ReducedFormula:"C15H10O6"},5280934:{PUBCHEM:{CID:"5280934","Compound Complexity":301,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid","IUPAC Name CAS-like Style":"(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid","IUPAC Name Markup":"(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid","IUPAC Name Preferred":"(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid","IUPAC Name Systematic":"(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid","IUPAC Name Traditional":"(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid",InChI:"1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-",InChIKey:"DTOSIQBPPRVQHS-PDBXOOCHSA-N","Log P":5.9,"Exact Mass":278.22458021,"Molecular Formula":"C18H30O2","Molecular Weight":278.4,"Monoisotopic Mass":278.22458021,Charge:0,"Easy Name":"Alpha-Linolenic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H30O2"},5280961:{PUBCHEM:{CID:"5280961","Compound Complexity":411,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-3-(4-hydroxyphenyl)chromone",InChI:"1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H",InChIKey:"TZBJGXHYKVUXJN-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":270.05282342,"Molecular Formula":"C15H10O5","Molecular Weight":270.24,"Monoisotopic Mass":270.05282342,Charge:0,"Easy Name":"Genistein","Easy Category":"Isoflavones"},HSDB:{"Color And Form":{Value:"Rectangular or six-sided rods from 60% alcohol. Dendritic needles from ether"},"Melting Point":{Value:"297-298 °C (slight decomposition)"},Solubility:{Value:"Soluble in the usual organic solvents; soluble in dilute alkalies with yellow color. Practically insoluble in water."},Uses:{Value:"Chemical probe to explore signal transduction pathways"},"Vapor Pressure":{Value:"5.2X10-12 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H10O5"},5281051:{PUBCHEM:{CID:"5281051","Compound Complexity":981,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":6,"Rotatable Bond":0,"IUPAC Name Allowed":"5,7,11,18,22,24-hexahydroxy-13,16-dimethyl-octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione","IUPAC Name CAS-like Style":"5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione","IUPAC Name Markup":"5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione","IUPAC Name Preferred":"5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione","IUPAC Name Systematic":"5,24-dimethyl-7,11,13,16,18,22-hexakis(oxidanyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,7,10,12,14(28),15(27),16,18,21,23-tridecaene-9,20-dione","IUPAC Name Traditional":"5,7,11,18,22,24-hexahydroxy-13,16-dimethyl-octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-quinone",InChI:"1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3",InChIKey:"BTXNYTINYBABQR-UHFFFAOYSA-N","Log P":6.9,"Exact Mass":504.08451747,"Molecular Formula":"C30H16O8","Molecular Weight":504.4,"Monoisotopic Mass":504.08451747,Charge:0,"Easy Name":"Hypericin","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C30H16O8"},5281116:{PUBCHEM:{CID:"5281116","Compound Complexity":284,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":19,"IUPAC Name Allowed":"(Z)-docos-13-enoic acid","IUPAC Name CAS-like Style":"(Z)-13-docosenoic acid","IUPAC Name Markup":"(Z)-docos-13-enoic acid","IUPAC Name Preferred":"(Z)-docos-13-enoic acid","IUPAC Name Systematic":"(Z)-docos-13-enoic acid","IUPAC Name Traditional":"Erucic acid",InChI:"1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-",InChIKey:"DPUOLQHDNGRHBS-KTKRTIGZSA-N","Log P":8.7,"Exact Mass":338.31848059,"Molecular Formula":"C22H42O2","Molecular Weight":338.6,"Monoisotopic Mass":338.31848059,Charge:0,"Easy Name":"Erucic acid","Easy Category":"Fatty acid"},HSDB:{"Boiling Point":{Value:"265 °C at 15 mm Hg"},"Color And Form":{Value:"Needles from alcohol"},Density:{Value:"0.860 at 55 °C/4 °C"},"Melting Point":{Value:"33.8 °C"},"Refractive Index":{Value:"Index of refraction: 1.4534 at 45 °C/D; 1.44794 at 65 °C/D"},Solubility:{Value:"Soluble in ethanol, carbon tetrachloride; very soluble in ethyl ether, methanol"},Uses:{Value:"LUBRICANT ADDITIVE; CHEM INT FOR EURCAMIDE, STEARYLEURCAMIDE & DIBASIC ACIDS; POLYETHYLENE FILM ADDITIVE; WATER RESISTANT NYLON ADDITIVE"},"Vapor Pressure":{Value:"1.15X10-6 mm Hg at 25 °C (est)"}},ReducedFormula:"C22H42O2"},5281119:{PUBCHEM:{CID:"5281119","Compound Complexity":185,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":11,"IUPAC Name Allowed":"(Z)-tetradec-9-enoic acid","IUPAC Name CAS-like Style":"(Z)-9-tetradecenoic acid","IUPAC Name Markup":"(Z)-tetradec-9-enoic acid","IUPAC Name Preferred":"(Z)-tetradec-9-enoic acid","IUPAC Name Systematic":"(Z)-tetradec-9-enoic acid","IUPAC Name Traditional":"Myristoleic acid",InChI:"1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-",InChIKey:"YWWVWXASSLXJHU-WAYWQWQTSA-N","Log P":5.1,"Exact Mass":226.19328008,"Molecular Formula":"C14H26O2","Molecular Weight":226.35,"Monoisotopic Mass":226.19328008,Charge:0,"Easy Name":"Myristoleic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C14H26O2"},5281120:{PUBCHEM:{CID:"5281120","Compound Complexity":309,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":21,"IUPAC Name Allowed":"(Z)-tetracos-15-enoic acid","IUPAC Name CAS-like Style":"(Z)-15-tetracosenoic acid","IUPAC Name Markup":"(Z)-tetracos-15-enoic acid","IUPAC Name Preferred":"(Z)-tetracos-15-enoic acid","IUPAC Name Systematic":"(Z)-tetracos-15-enoic acid","IUPAC Name Traditional":"Nervonic acid",InChI:"1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-",InChIKey:"GWHCXVQVJPWHRF-KTKRTIGZSA-N","Log P":9.8,"Exact Mass":366.34978072,"Molecular Formula":"C24H46O2","Molecular Weight":366.6,"Monoisotopic Mass":366.34978072,Charge:0,"Easy Name":"Nervonic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C24H46O2"},5281125:{PUBCHEM:{CID:"5281125","Compound Complexity":234,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":15,"IUPAC Name Allowed":"(Z)-octadec-6-enoic acid","IUPAC Name CAS-like Style":"(Z)-6-octadecenoic acid","IUPAC Name Markup":"(Z)-octadec-6-enoic acid","IUPAC Name Preferred":"(Z)-octadec-6-enoic acid","IUPAC Name Systematic":"(Z)-octadec-6-enoic acid","IUPAC Name Traditional":"Petroselinic acid",InChI:"1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-",InChIKey:"CNVZJPUDSLNTQU-SEYXRHQNSA-N","Log P":7.3,"Exact Mass":282.25588034,"Molecular Formula":"C18H34O2","Molecular Weight":282.5,"Monoisotopic Mass":282.25588034,Charge:0,"Easy Name":"Petroselinic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H34O2"},5281126:{PUBCHEM:{CID:"5281126","Compound Complexity":301,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"(9Z,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name CAS-like Style":"(9Z,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name Markup":"(9Z,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name Preferred":"(9Z,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name Systematic":"(9Z,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name Traditional":"(9Z,11E,13Z)-octadeca-9,11,13-trienoic acid",InChI:"1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9-",InChIKey:"CUXYLFPMQMFGPL-BGDVVUGTSA-N","Log P":6.4,"Exact Mass":278.22458021,"Molecular Formula":"C18H30O2","Molecular Weight":278.4,"Monoisotopic Mass":278.22458021,Charge:0,"Easy Name":"Punicic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H30O2"},5281127:{PUBCHEM:{CID:"5281127","Compound Complexity":234,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":15,"IUPAC Name Allowed":"(E)-octadec-11-enoic acid","IUPAC Name CAS-like Style":"(E)-11-octadecenoic acid","IUPAC Name Markup":"(E)-octadec-11-enoic acid","IUPAC Name Preferred":"(E)-octadec-11-enoic acid","IUPAC Name Systematic":"(E)-octadec-11-enoic acid","IUPAC Name Traditional":"Vaccenic acid",InChI:"1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+",InChIKey:"UWHZIFQPPBDJPM-BQYQJAHWSA-N","Log P":6.5,"Exact Mass":282.25588034,"Molecular Formula":"C18H34O2","Molecular Weight":282.5,"Monoisotopic Mass":282.25588034,Charge:0,"Easy Name":"Vaccenic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C18H34O2"},5281128:{PUBCHEM:{CID:"5281128","Compound Complexity":299,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":14,"IUPAC Name Allowed":"(Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid","IUPAC Name CAS-like Style":"(Z)-11-[(2R,3S)-3-pentyl-2-oxiranyl]-9-undecenoic acid","IUPAC Name Markup":"(Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid","IUPAC Name Preferred":"(Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid","IUPAC Name Systematic":"(Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid","IUPAC Name Traditional":"(Z)-11-[(2R,3S)-3-amyloxiran-2-yl]undec-9-enoic acid",InChI:"1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1",InChIKey:"CCPPLLJZDQAOHD-BEBBCNLGSA-N","Log P":5.6,"Exact Mass":296.23514489,"Molecular Formula":"C18H32O3","Molecular Weight":296.4,"Monoisotopic Mass":296.23514489,Charge:0,"Easy Name":" (-)-Vernolic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C18H32O3"},5281159:{PUBCHEM:{CID:"5281159","Compound Complexity":235,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"2-[(1R,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name CAS-like Style":"2-[(1R,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Markup":"2-[(1R,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Preferred":"2-[(1R,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Systematic":"2-[(1R,2S,3S)-3-oxidanyl-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoic acid","IUPAC Name Traditional":"2-[(1R,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid",InChI:"1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1",InChIKey:"LYSGIJUGUGJIPS-UOMVISFLSA-N","Log P":1.9,"Exact Mass":212.1412445,"Molecular Formula":"C12H20O3","Molecular Weight":212.28,"Monoisotopic Mass":212.1412445,Charge:0,"Easy Name":"Cucurbic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H20O3"},5281166:{PUBCHEM:{CID:"5281166","Compound Complexity":268,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name CAS-like Style":"2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Markup":"2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Preferred":"2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Systematic":"2-[(1R,2R)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoic acid","IUPAC Name Traditional":"2-[(1R,2R)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid",InChI:"1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",InChIKey:"ZNJFBWYDHIGLCU-HWKXXFMVSA-N","Log P":1.6,"Exact Mass":210.12559444,"Molecular Formula":"C12H18O3","Molecular Weight":210.27,"Monoisotopic Mass":210.12559444,Charge:0,"Easy Name":"Jasmonic acid","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C12H18O3"},5281168:{PUBCHEM:{CID:"5281168","Compound Complexity":64.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-hex-2-enal","IUPAC Name CAS-like Style":"(E)-2-hexenal","IUPAC Name Markup":"(E)-hex-2-enal","IUPAC Name Preferred":"(E)-hex-2-enal","IUPAC Name Systematic":"(E)-hex-2-enal","IUPAC Name Traditional":"(E)-hex-2-enal",InChI:"1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+",InChIKey:"MBDOYVRWFFCFHM-SNAWJCMRSA-N","Log P":1.5,"Exact Mass":98.073164942,"Molecular Formula":"C6H10O","Molecular Weight":98.14,"Monoisotopic Mass":98.073164942,Charge:0,"Easy Name":"Trans-2-Hexenal","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1"},5281222:{PUBCHEM:{CID:"5281222","Compound Complexity":367,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one","IUPAC Name CAS-like Style":"(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one","IUPAC Name Markup":"(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one","IUPAC Name Preferred":"(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one","IUPAC Name Systematic":"(E)-1-[2,4-bis(oxidanyl)phenyl]-3-[3,4-bis(oxidanyl)phenyl]prop-2-en-1-one","IUPAC Name Traditional":"(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one",InChI:"1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+",InChIKey:"AYMYWHCQALZEGT-ORCRQEGFSA-N","Log P":2.8,"Exact Mass":272.06847348,"Molecular Formula":"C15H12O5","Molecular Weight":272.25,"Monoisotopic Mass":272.06847348,Charge:0,"Easy Name":"Butein","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O5"},5281224:{PUBCHEM:{CID:"5281224","Compound Complexity":1340,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one","IUPAC Name CAS-like Style":"(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone","IUPAC Name Markup":"(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one","IUPAC Name Preferred":"(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one","IUPAC Name Systematic":"(6S)-2,4,4-trimethyl-6-oxidanyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4S)-2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one","IUPAC Name Traditional":"(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-3-keto-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one",InChI:"1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1",InChIKey:"MQZIGYBFDRPAKN-UWFIBFSHSA-N","Log P":10.3,"Exact Mass":596.38656015,"Molecular Formula":"C40H52O4","Molecular Weight":596.8,"Monoisotopic Mass":596.38656015,Charge:0,"Easy Name":"Astaxanthin","Easy Category":"Carotenoid"},HSDB:{"Color And Form":{Value:"Needles from acetone/light petroleum"},"Melting Point":{Value:"182-183 °C"},Solubility:{Value:"In water, 7.9X10-10 mg/L at 25 °C (est)"},Uses:{Value:"The carotenoid pigment astaxanthin has important applications in the nutraceutical, cosmetics, food and feed industries."}},ReducedFormula:"C40H52O4"},5281226:{PUBCHEM:{CID:"5281226","Compound Complexity":823,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":11,"IUPAC Name Allowed":"(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxo-icosa-2,4,6,8,10,12,14,16,18-nonaenoic acid","IUPAC Name CAS-like Style":"(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoeicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid","IUPAC Name Markup":"(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid","IUPAC Name Preferred":"(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid","IUPAC Name Systematic":"(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxidanylidene-icosa-2,4,6,8,10,12,14,16,18-nonaenoic acid","IUPAC Name Traditional":"(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-keto-20-methoxy-4,8,13,17-tetramethyl-eicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid",InChI:"1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-",InChIKey:"RAFGELQLHMBRHD-SLEZCNMESA-N","Log P":7.5,"Exact Mass":394.21440945,"Molecular Formula":"C25H30O4","Molecular Weight":394.5,"Monoisotopic Mass":394.21440945,Charge:0,"Easy Name":"Cis-Bixin","Easy Category":"Carotenoid"},HSDB:{},ReducedFormula:"C25H30O4"},5281230:{PUBCHEM:{CID:"5281230","Compound Complexity":1160,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":13,"IUPAC Name Allowed":"(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethyl-cyclohexene","IUPAC Name CAS-like Style":"(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene","IUPAC Name Markup":"(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene","IUPAC Name Preferred":"(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene","IUPAC Name Systematic":"(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethyl-cyclohexene","IUPAC Name Traditional":"(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethyl-cyclohexene",InChI:"1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1",InChIKey:"WGIYGODPCLMGQH-GOXCNPTKSA-N","Log P":14.6,"Exact Mass":536.43820181,"Molecular Formula":"C40H56","Molecular Weight":536.9,"Monoisotopic Mass":536.43820181,Charge:0,"Easy Name":"Δ-carotene","Easy Category":"Carotenoid"},HSDB:{},ReducedFormula:"C40H56"},5281232:{PUBCHEM:{CID:"5281232","Compound Complexity":608,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":8,"IUPAC Name Allowed":"(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid","IUPAC Name CAS-like Style":"(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid","IUPAC Name Markup":"(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid","IUPAC Name Preferred":"(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid","IUPAC Name Systematic":"(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid","IUPAC Name Traditional":"(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid",InChI:"1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+",InChIKey:"PANKHBYNKQNAHN-MQQNZMFNSA-N","Log P":5.4,"Exact Mass":328.16745925,"Molecular Formula":"C20H24O4","Molecular Weight":328.4,"Monoisotopic Mass":328.16745925,Charge:0,"Easy Name":"Crocetin","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C20H24O4"},5281239:{PUBCHEM:{CID:"5281239","Compound Complexity":1530,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":12,"IUPAC Name Allowed":"[(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxo-octadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethyl-cyclohexyl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethylcyclohexyl] ester","IUPAC Name Markup":"[(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethylcyclohexyl] acetate","IUPAC Name Preferred":"[(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethylcyclohexyl] acetate","IUPAC Name Systematic":"[(1S,5R)-3,3,5-trimethyl-5-oxidanyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-18-[(1S,4S,6R)-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15-octaenylidene]cyclohexyl] ethanoate","IUPAC Name Traditional":"Acetic acid [(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-17-keto-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethyl-cyclohexyl] ester",InChI:"1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,40+,41+,42-/m0/s1",InChIKey:"SJWWTRQNNRNTPU-ABBNZJFMSA-N","Log P":8.1,"Exact Mass":658.42333959,"Molecular Formula":"C42H58O6","Molecular Weight":658.9,"Monoisotopic Mass":658.42333959,Charge:0,"Easy Name":"Fucoxanthin","Easy Category":"Carotenoid"},HSDB:{},ReducedFormula:"C42H58O6"},5281243:{PUBCHEM:{CID:"5281243","Compound Complexity":1270,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol","IUPAC Name CAS-like Style":"(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol","IUPAC Name Markup":"(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol","IUPAC Name Preferred":"(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol","IUPAC Name Systematic":"(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,4R)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol","IUPAC Name Traditional":"(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol",InChI:"1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",InChIKey:"KBPHJBAIARWVSC-RGZFRNHPSA-N","Log P":11,"Exact Mass":568.42803104,"Molecular Formula":"C40H56O2","Molecular Weight":568.9,"Monoisotopic Mass":568.42803104,Charge:0,"Easy Name":"Lutein","Easy Category":"Carotenoid"},HSDB:{},ReducedFormula:"C40H56O2"},5281247:{PUBCHEM:{CID:"5281247","Compound Complexity":1380,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":9,"IUPAC Name Allowed":"(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol","IUPAC Name CAS-like Style":"(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol","IUPAC Name Markup":"(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol","IUPAC Name Preferred":"(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol","IUPAC Name Systematic":"(1R,3S)-1,5,5-trimethyl-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,4S,6R)-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexane-1,3-diol","IUPAC Name Traditional":"(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol",InChI:"1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",InChIKey:"PGYAYSRVSAJXTE-CLONMANBSA-N","Log P":8.7,"Exact Mass":600.41786028,"Molecular Formula":"C40H56O4","Molecular Weight":600.9,"Monoisotopic Mass":600.41786028,Charge:0,"Easy Name":"Neoxanthin","Easy Category":"Carotenoid"},HSDB:{},ReducedFormula:"C40H56O4"},5281294:{PUBCHEM:{CID:"5281294","Compound Complexity":396,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one","IUPAC Name CAS-like Style":"(E)-3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-2-propen-1-one","IUPAC Name Markup":"(E)-3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one","IUPAC Name Preferred":"(E)-3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one","IUPAC Name Systematic":"(E)-3-[3,4-bis(oxidanyl)phenyl]-1-[2,3,4-tris(oxidanyl)phenyl]prop-2-en-1-one","IUPAC Name Traditional":"(E)-3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one",InChI:"1S/C15H12O6/c16-10(9-3-6-12(18)15(21)14(9)20)4-1-8-2-5-11(17)13(19)7-8/h1-7,17-21H/b4-1+",InChIKey:"GSBNFGRTUCCBTK-DAFODLJHSA-N","Log P":2.5,"Exact Mass":288.0633881,"Molecular Formula":"C15H12O6","Molecular Weight":288.25,"Monoisotopic Mass":288.0633881,Charge:0,"Easy Name":"Okanin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O6"},5281315:{PUBCHEM:{CID:"5281315","Compound Complexity":1230,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"[(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester","IUPAC Name Markup":"[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Preferred":"[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Systematic":"[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-9-(hydroxymethyl)-4,4,13,14-tetramethyl-2,16-bis(oxidanyl)-3,11-bis(oxidanylidene)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-6-oxidanyl-5-oxidanylidene-hept-3-en-2-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,13,14-tetramethyl-9-methylol-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester",InChI:"1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1",InChIKey:"IHTCCHVMPGDDSL-IVNGUWCNSA-N","Log P":2,"Exact Mass":574.31418306,"Molecular Formula":"C32H46O9","Molecular Weight":574.7,"Monoisotopic Mass":574.31418306,Charge:0,"Easy Name":"Cucurbitacin A","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C32H46O9"},5281316:{PUBCHEM:{CID:"5281316","Compound Complexity":1210,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":3,"Rotatable Bond":6,"IUPAC Name Allowed":"[(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester","IUPAC Name Markup":"[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Preferred":"[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Systematic":"[(E,6R)-2-methyl-6-oxidanyl-5-oxidanylidene-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-2,16-bis(oxidanyl)-3,11-bis(oxidanylidene)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester",InChI:"1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1",InChIKey:"IXQKXEUSCPEQRD-DKRGWESNSA-N","Log P":2.6,"Exact Mass":558.31926844,"Molecular Formula":"C32H46O8","Molecular Weight":558.7,"Monoisotopic Mass":558.31926844,Charge:0,"Easy Name":"Cucurbitacin B","Easy Category":"Saponins"},HSDB:{"Color And Form":{Value:"CRYSTALS FROM ABSOLUTE ETHANOL"},"Melting Point":{Value:"184-186 °C"}},ReducedFormula:"C32H46O8"},5281317:{PUBCHEM:{CID:"5281317","Compound Complexity":1150,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"[(E,5R)-5-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester","IUPAC Name Markup":"[(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Preferred":"[(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Systematic":"[(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,16-bis(oxidanyl)-11-oxidanylidene-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-6-oxidanyl-5-oxidanylidene-hept-3-en-2-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(E,5R)-5-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-11-keto-4,4,13,14-tetramethyl-9-methylol-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester",InChI:"1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1",InChIKey:"DGIGXLXLGBAJJN-TUOUHCSQSA-N","Log P":2.8,"Exact Mass":560.3349185,"Molecular Formula":"C32H48O8","Molecular Weight":560.7,"Monoisotopic Mass":560.3349185,Charge:0,"Easy Name":"Cucurbitacin C","Easy Category":"Saponins"},HSDB:{"Color And Form":{Value:"NEEDLES FROM ETHYL ACETATE"},"Melting Point":{Value:"207-207.5 °C"}},ReducedFormula:"C32H48O8"},5281318:{PUBCHEM:{CID:"5281318","Compound Complexity":1100,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name CAS-like Style":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Markup":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Preferred":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Systematic":"(2S,8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-17-[(E,2R)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-hept-4-en-2-yl]-2,16-bis(oxidanyl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Traditional":"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone",InChI:"1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1",InChIKey:"SRPHMISUTWFFKJ-QJNWWGCFSA-N","Log P":2.1,"Exact Mass":516.30870376,"Molecular Formula":"C30H44O7","Molecular Weight":516.7,"Monoisotopic Mass":516.30870376,Charge:0,"Easy Name":"Cucurbitacin D","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H44O7"},5281319:{PUBCHEM:{CID:"5281319","Compound Complexity":1270,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":3,"Rotatable Bond":6,"IUPAC Name Allowed":"[(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester","IUPAC Name Markup":"[(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Preferred":"[(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Systematic":"[(E,6R)-2-methyl-6-oxidanyl-5-oxidanylidene-6-[(8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-2,16-bis(oxidanyl)-3,11-bis(oxidanylidene)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester",InChI:"1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1",InChIKey:"NDYMQXYDSVBNLL-MUYMLXPFSA-N","Log P":3.2,"Exact Mass":556.30361838,"Molecular Formula":"C32H44O8","Molecular Weight":556.7,"Monoisotopic Mass":556.30361838,Charge:0,"Easy Name":"Cucurbitacin E","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C32H44O8"},5281320:{PUBCHEM:{CID:"5281320","Compound Complexity":1060,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","IUPAC Name CAS-like Style":"(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","IUPAC Name Markup":"(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","IUPAC Name Preferred":"(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","IUPAC Name Systematic":"(2S,3S,8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-17-[(E,2R)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-hept-4-en-2-yl]-2,3,16-tris(oxidanyl)-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","IUPAC Name Traditional":"(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one",InChI:"1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",InChIKey:"AOHIGMQGPFTKQX-QZPKXHNASA-N","Log P":1.9,"Exact Mass":518.32435382,"Molecular Formula":"C30H46O7","Molecular Weight":518.7,"Monoisotopic Mass":518.32435382,Charge:0,"Easy Name":"Cucurbitacin F","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H46O7"},5281321:{PUBCHEM:{CID:"5281321","Compound Complexity":1160,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name CAS-like Style":"(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Markup":"(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Preferred":"(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Systematic":"(8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-17-[(E,2R)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-hept-4-en-2-yl]-2,16-bis(oxidanyl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione","IUPAC Name Traditional":"(8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-quinone",InChI:"1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1",InChIKey:"NISPVUDLMHQFRQ-MKIKIEMVSA-N","Log P":2.7,"Exact Mass":514.29305369,"Molecular Formula":"C30H42O7","Molecular Weight":514.6,"Monoisotopic Mass":514.29305369,Charge:0,"Easy Name":"Cucurbitacin I","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H42O7"},5281417:{PUBCHEM:{CID:"5281417","Compound Complexity":495,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":5,"Rotatable Bond":3,"IUPAC Name Allowed":"7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one","IUPAC Name CAS-like Style":"7-hydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one","IUPAC Name Markup":"7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","IUPAC Name Preferred":"7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","IUPAC Name Systematic":"6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one","IUPAC Name Traditional":"7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin",InChI:"1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",InChIKey:"XHCADAYNFIFUHF-TVKJYDDYSA-N","Log P":-.6,"Exact Mass":340.07943209,"Molecular Formula":"C15H16O9","Molecular Weight":340.28,"Monoisotopic Mass":340.07943209,Charge:0,"Easy Name":"Aesculin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C15H16O9"},5281426:{PUBCHEM:{CID:"5281426","Compound Complexity":222,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"7-hydroxychromen-2-one","IUPAC Name CAS-like Style":"7-hydroxy-1-benzopyran-2-one","IUPAC Name Markup":"7-hydroxychromen-2-one","IUPAC Name Preferred":"7-hydroxychromen-2-one","IUPAC Name Systematic":"7-oxidanylchromen-2-one","IUPAC Name Traditional":"Umbelliferone",InChI:"1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",InChIKey:"ORHBXUUXSCNDEV-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":162.031694052,"Molecular Formula":"C9H6O3","Molecular Weight":162.14,"Monoisotopic Mass":162.031694052,Charge:0,"Easy Name":"Umbelliferone","Easy Category":"Coumarins"},HSDB:{},ReducedFormula:"C9H6O3"},5281547:{PUBCHEM:{CID:"5281547","Compound Complexity":600,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","IUPAC Name CAS-like Style":"(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester","IUPAC Name Markup":"[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate","IUPAC Name Preferred":"[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate","IUPAC Name Systematic":"[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate","IUPAC Name Traditional":"(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid [(1S)-3-[(Z)-but-2-enyl]-4-keto-2-methyl-cyclopent-2-en-1-yl] ester",InChI:"1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1",InChIKey:"FMTFEIJHMMQUJI-DFKXKMKHSA-N","Log P":5,"Exact Mass":316.20384476,"Molecular Formula":"C20H28O3","Molecular Weight":316.4,"Monoisotopic Mass":316.20384476,Charge:0,"Easy Name":"Cinerin I","Easy Category":"Pyrethrin"},HSDB:{"Color And Form":{Value:"Viscous liquid"},"Refractive Index":{Value:"Index of refraction: 1.5064 at 20 °C/D"},Solubility:{Value:"In water,0.085 mg/L at 25 °C (est)"},Uses:{Value:"For Cinerin I /a component of pyrethrum/ (USEPA/OPP Pesticide Code: 069009) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.13X10-6 mm Hg at 25 °C (est)"}},ReducedFormula:"C20H28O3"},5281548:{PUBCHEM:{CID:"5281548","Compound Complexity":708,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate","IUPAC Name CAS-like Style":"(1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester","IUPAC Name Markup":"[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Preferred":"[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Systematic":"[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate","IUPAC Name Traditional":"(1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid [(1S)-3-[(Z)-but-2-enyl]-4-keto-2-methyl-cyclopent-2-en-1-yl] ester",InChI:"1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1",InChIKey:"SHCRDCOTRILILT-WOBDGSLYSA-N","Log P":4,"Exact Mass":360.193674,"Molecular Formula":"C21H28O5","Molecular Weight":360.4,"Monoisotopic Mass":360.193674,Charge:0,"Easy Name":"Cinerin II","Easy Category":"Pyrethrin"},HSDB:{"Color And Form":{Value:"Viscous liquid"},"Refractive Index":{Value:"Index of refraction: 1.5183 at 20 °C/D"},Solubility:{Value:"In water, 0.03 mg/L at 25 °C (est)"},Uses:{Value:"For Cinerin II /a component of pyrethrum/ (USEPA/OPP Pesticide Code: 069010) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"4.59X10-7 mm Hg at 25 °C (est)"}},ReducedFormula:"C21H28O5"},5281576:{PUBCHEM:{CID:"5281576","Compound Complexity":445,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"(4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione","IUPAC Name CAS-like Style":"(4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione","IUPAC Name Markup":"(4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione","IUPAC Name Preferred":"(4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione","IUPAC Name Systematic":"(4S,12E)-4-methyl-16,18-bis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione","IUPAC Name Traditional":"(4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-quinone",InChI:"1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1",InChIKey:"MBMQEIFVQACCCH-QBODLPLBSA-N","Log P":3.6,"Exact Mass":318.14672381,"Molecular Formula":"C18H22O5","Molecular Weight":318.4,"Monoisotopic Mass":318.14672381,Charge:0,"Easy Name":"Zearalenone","Easy Category":"Ketone"},HSDB:{Uses:{Value:"CHEMICAL INTERMEDIATE FOR ZERANOL & ITS 7-HYDROXY EPIMER; VETERINARY ANABOLIC AGENT"}},ReducedFormula:"C18H22O5"},5281605:{PUBCHEM:{CID:"5281605","Compound Complexity":413,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"5,6,7-trihydroxy-2-phenyl-chromen-4-one","IUPAC Name CAS-like Style":"5,6,7-trihydroxy-2-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"5,6,7-trihydroxy-2-phenylchromen-4-one","IUPAC Name Preferred":"5,6,7-trihydroxy-2-phenylchromen-4-one","IUPAC Name Systematic":"5,6,7-tris(oxidanyl)-2-phenyl-chromen-4-one","IUPAC Name Traditional":"5,6,7-trihydroxy-2-phenyl-chromone",InChI:"1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H",InChIKey:"FXNFHKRTJBSTCS-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":270.05282342,"Molecular Formula":"C15H10O5","Molecular Weight":270.24,"Monoisotopic Mass":270.05282342,Charge:0,"Easy Name":"Baicalein","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O5"},5281607:{PUBCHEM:{CID:"5281607","Compound Complexity":384,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"5,7-dihydroxy-2-phenyl-chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-2-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-2-phenylchromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-2-phenylchromen-4-one","IUPAC Name Systematic":"5,7-bis(oxidanyl)-2-phenyl-chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-2-phenyl-chromone",InChI:"1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",InChIKey:"RTIXKCRFFJGDFG-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":254.0579088,"Molecular Formula":"C15H10O4","Molecular Weight":254.24,"Monoisotopic Mass":254.0579088,Charge:0,"Easy Name":"Chrysin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O4"},5281612:{PUBCHEM:{CID:"5281612","Compound Complexity":462,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone",InChI:"1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",InChIKey:"MBNGWHIJMBWFHU-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":300.0633881,"Molecular Formula":"C16H12O6","Molecular Weight":300.26,"Monoisotopic Mass":300.0633881,Charge:0,"Easy Name":"Diosmetin","Easy Category":"Flavonoid"},HSDB:{"Color And Form":{Value:"Yellow powder"},Density:{Value:"1.512 g/cu cm"},"Melting Point":{Value:"256-258 °C"},Solubility:{Value:"Soluble in chloroform, dichloromethane, DMSO, acetone"},"Vapor Pressure":{Value:"3.8X10-12 mm Hg at 25 °C (est)"}},ReducedFormula:"C16H12O6"},5281613:{PUBCHEM:{CID:"5281613","Compound Complexity":995,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":8,"Rotatable Bond":7,"IUPAC Name Allowed":"5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one","IUPAC Name Traditional":"5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",InChIKey:"GZSOSUNBTXMUFQ-YFAPSIMESA-N","Log P":-.8,"Exact Mass":608.17412033,"Molecular Formula":"C28H32O15","Molecular Weight":608.5,"Monoisotopic Mass":608.17412033,Charge:0,"Easy Name":"Diosmin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C28H32O15"},5281614:{PUBCHEM:{CID:"5281614","Compound Complexity":459,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-3,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromone",InChI:"1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H",InChIKey:"XHEFDIBZLJXQHF-UHFFFAOYSA-N","Log P":2,"Exact Mass":286.04773804,"Molecular Formula":"C15H10O6","Molecular Weight":286.24,"Monoisotopic Mass":286.04773804,Charge:0,"Easy Name":"Fisetin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O6"},5281642:{PUBCHEM:{CID:"5281642","Compound Complexity":477,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-5,6,7-tris(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-chromone",InChI:"1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H",InChIKey:"VYAKIUWQLHRZGK-UHFFFAOYSA-N","Log P":1,"Exact Mass":302.04265266,"Molecular Formula":"C15H10O7","Molecular Weight":302.23,"Monoisotopic Mass":302.04265266,Charge:0,"Easy Name":"6-Hydroxyluteolin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O7"},5281643:{PUBCHEM:{CID:"5281643","Compound Complexity":758,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",InChIKey:"OVSQVDMCBVZWGM-DTGCRPNFSA-N","Log P":.4,"Exact Mass":464.09547608,"Molecular Formula":"C21H20O12","Molecular Weight":464.4,"Monoisotopic Mass":464.09547608,Charge:0,"Easy Name":"Hyperoside","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C21H20O12"},5281647:{PUBCHEM:{CID:"5281647","Compound Complexity":646,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":2,"IUPAC Name Allowed":"1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one","IUPAC Name CAS-like Style":"1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-9-xanthenone","IUPAC Name Markup":"1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one","IUPAC Name Preferred":"1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one","IUPAC Name Systematic":"2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,6,7-tetrakis(oxidanyl)xanthen-9-one","IUPAC Name Traditional":"1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]xanthone",InChI:"1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1",InChIKey:"AEDDIBAIWPIIBD-ZJKJAXBQSA-N","Log P":-.4,"Exact Mass":422.0849114,"Molecular Formula":"C19H18O11","Molecular Weight":422.3,"Monoisotopic Mass":422.0849114,Charge:0,"Easy Name":"Mangiferin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C19H18O11"},5281648:{PUBCHEM:{CID:"5281648","Compound Complexity":477,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-5,7,8-tris(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-chromone",InChI:"1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22-12/h1-5,16-18,20-21H",InChIKey:"ASOIXDIITRKTOX-UHFFFAOYSA-N","Log P":2,"Exact Mass":302.04265266,"Molecular Formula":"C15H10O7","Molecular Weight":302.23,"Monoisotopic Mass":302.04265266,Charge:0,"Easy Name":"Hypolaetin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O7"},5281654:{PUBCHEM:{CID:"5281654","Compound Complexity":503,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one","IUPAC Name CAS-like Style":"3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"2-(3-methoxy-4-oxidanyl-phenyl)-3,5,7-tris(oxidanyl)chromen-4-one","IUPAC Name Traditional":"3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone",InChI:"1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",InChIKey:"IZQSVPBOUDKVDZ-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":316.05830272,"Molecular Formula":"C16H12O7","Molecular Weight":316.26,"Monoisotopic Mass":316.05830272,Charge:0,"Easy Name":"Isorhamnetin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C16H12O7"},5281665:{PUBCHEM:{CID:"5281665","Compound Complexity":439,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,7,8-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"2-(4-hydroxyphenyl)-5,7,8-tris(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromone",InChI:"1S/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-6,16-17,19-20H",InChIKey:"NXHQVROAKYDSNW-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":286.04773804,"Molecular Formula":"C15H10O6","Molecular Weight":286.24,"Monoisotopic Mass":286.04773804,Charge:0,"Easy Name":"Isoscutellarein","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O6"},5281672:{PUBCHEM:{CID:"5281672","Compound Complexity":506,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":6,"Rotatable Bond":1,"IUPAC Name Allowed":"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one","IUPAC Name Traditional":"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromone",InChI:"1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",InChIKey:"IKMDFBPHZNJCSN-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":318.03756728,"Molecular Formula":"C15H10O8","Molecular Weight":318.23,"Monoisotopic Mass":318.03756728,Charge:0,"Easy Name":"Myricetin","Easy Category":"Flavonoid"},HSDB:{"Color And Form":{Value:"Yellow needles from dilute alcohol"},"Melting Point":{Value:"357 °C"},Solubility:{Value:"Sparingly soluble in boiling water; soluble in alcohol. Practically insoluble in chloroform, acetic acid"},Uses:{Value:"Experimental drug ... lipid kinase activity"},"Vapor Pressure":{Value:"6.84X10-17 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H10O8"},5281674:{PUBCHEM:{CID:"5281674","Compound Complexity":413,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"5,7,8-trihydroxy-2-phenyl-chromen-4-one","IUPAC Name CAS-like Style":"5,7,8-trihydroxy-2-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"5,7,8-trihydroxy-2-phenylchromen-4-one","IUPAC Name Preferred":"5,7,8-trihydroxy-2-phenylchromen-4-one","IUPAC Name Systematic":"5,7,8-tris(oxidanyl)-2-phenyl-chromen-4-one","IUPAC Name Traditional":"5,7,8-trihydroxy-2-phenyl-chromone",InChI:"1S/C15H10O5/c16-9-6-11(18)14(19)15-13(9)10(17)7-12(20-15)8-4-2-1-3-5-8/h1-7,16,18-19H",InChIKey:"ZFKKRRMUPBBYRS-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":270.05282342,"Molecular Formula":"C15H10O5","Molecular Weight":270.24,"Monoisotopic Mass":270.05282342,Charge:0,"Easy Name":"Norwogonin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O5"},5281675:{PUBCHEM:{CID:"5281675","Compound Complexity":729,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one","IUPAC Name CAS-like Style":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one","IUPAC Name Markup":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","IUPAC Name Preferred":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone",InChI:"1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",InChIKey:"PLAPMLGJVGLZOV-VPRICQMDSA-N","Log P":-.2,"Exact Mass":448.10056146,"Molecular Formula":"C21H20O11","Molecular Weight":448.4,"Monoisotopic Mass":448.10056146,Charge:0,"Easy Name":"2- (3, 4-dihydroxyphenyl)-5, 7-dihydroxy-8-[ (2S, 3R, 4R, 5S, 6R)-3, 4, 5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]chromen-4-one","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H20O11"},5281697:{PUBCHEM:{CID:"5281697","Compound Complexity":439,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,6,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"2-(4-hydroxyphenyl)-5,6,7-tris(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromone",InChI:"1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H",InChIKey:"JVXZRQGOGOXCEC-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":286.04773804,"Molecular Formula":"C15H10O6","Molecular Weight":286.24,"Monoisotopic Mass":286.04773804,Charge:0,"Easy Name":"5, 6, 7-Trihydroxy-2- (4-hydroxyphenyl)-4H-chromen-4-one","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O6"},5281699:{PUBCHEM:{CID:"5281699","Compound Complexity":503,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one","IUPAC Name CAS-like Style":"3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"2-(4-methoxy-3-oxidanyl-phenyl)-3,5,7-tris(oxidanyl)chromen-4-one","IUPAC Name Traditional":"3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone",InChI:"1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",InChIKey:"FPLMIPQZHHQWHN-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":316.05830272,"Molecular Formula":"C16H12O7","Molecular Weight":316.26,"Monoisotopic Mass":316.05830272,Charge:0,"Easy Name":"Tamarixetin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C16H12O7"},5281703:{PUBCHEM:{CID:"5281703","Compound Complexity":426,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"5,7-dihydroxy-8-methoxy-2-phenyl-chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-8-methoxy-2-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one","IUPAC Name Systematic":"8-methoxy-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-8-methoxy-2-phenyl-chromone",InChI:"1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3",InChIKey:"XLTFNNCXVBYBSX-UHFFFAOYSA-N","Log P":3,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":"Wogonin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C16H12O5"},5281708:{PUBCHEM:{CID:"5281708","Compound Complexity":382,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"7-hydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"3-(4-hydroxyphenyl)-7-oxidanyl-chromen-4-one","IUPAC Name Traditional":"7-hydroxy-3-(4-hydroxyphenyl)chromone",InChI:"1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H",InChIKey:"ZQSIJRDFPHDXIC-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":254.0579088,"Molecular Formula":"C15H10O4","Molecular Weight":254.24,"Monoisotopic Mass":254.0579088,Charge:0,"Easy Name":"Daidzein","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C15H10O4"},5281794:{PUBCHEM:{CID:"5281794","Compound Complexity":299,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"(E)-1-(4-hydroxy-3-methoxy-phenyl)dec-4-en-3-one","IUPAC Name CAS-like Style":"(E)-1-(4-hydroxy-3-methoxyphenyl)-4-decen-3-one","IUPAC Name Markup":"(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one","IUPAC Name Preferred":"(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one","IUPAC Name Systematic":"(E)-1-(3-methoxy-4-oxidanyl-phenyl)dec-4-en-3-one","IUPAC Name Traditional":"(E)-1-(4-hydroxy-3-methoxy-phenyl)dec-4-en-3-one",InChI:"1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+",InChIKey:"OQWKEEOHDMUXEO-BQYQJAHWSA-N","Log P":3.7,"Exact Mass":276.17254463,"Molecular Formula":"C17H24O3","Molecular Weight":276.4,"Monoisotopic Mass":276.17254463,Charge:0,"Easy Name":" (6)-shogaol","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C17H24O3"},5281801:{PUBCHEM:{CID:"5281801","Compound Complexity":447,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one","IUPAC Name CAS-like Style":"3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one","IUPAC Name Markup":"3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","IUPAC Name Preferred":"3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","IUPAC Name Systematic":"3-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone",InChI:"1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H",InChIKey:"IOYHCQBYQJQBSK-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":286.04773804,"Molecular Formula":"C15H10O6","Molecular Weight":286.24,"Monoisotopic Mass":286.04773804,Charge:0,"Easy Name":"Orobol","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C15H10O6"},5281803:{PUBCHEM:{CID:"5281803","Compound Complexity":462,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one","IUPAC Name Systematic":"3-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromone",InChI:"1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3",InChIKey:"FPIOBTBNRZPWJW-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":300.0633881,"Molecular Formula":"C16H12O6","Molecular Weight":300.26,"Monoisotopic Mass":300.0633881,Charge:0,"Easy Name":"Pratensein","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C16H12O6"},5281804:{PUBCHEM:{CID:"5281804","Compound Complexity":424,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one","IUPAC Name CAS-like Style":"5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-1-benzopyran-4-one","IUPAC Name Markup":"5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one","IUPAC Name Preferred":"5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one","IUPAC Name Systematic":"3-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-chromen-4-one","IUPAC Name Traditional":"5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromone",InChI:"1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",InChIKey:"KQMVAGISDHMXJJ-UHFFFAOYSA-N","Log P":3,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":"Prunetin","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C16H12O5"},5281855:{PUBCHEM:{CID:"5281855","Compound Complexity":475,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione","IUPAC Name CAS-like Style":"6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione","IUPAC Name Markup":"6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione","IUPAC Name Preferred":"6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione","IUPAC Name Systematic":"6,7,13,14-tetrakis(oxidanyl)-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione","IUPAC Name Traditional":"6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-quinone",InChI:"1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H",InChIKey:"AFSDNFLWKVMVRB-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":302.00626715,"Molecular Formula":"C14H6O8","Molecular Weight":302.19,"Monoisotopic Mass":302.00626715,Charge:0,"Easy Name":"Ellagic acid","Easy Category":"Antioxidant"},HSDB:{"Color And Form":{Value:"Cream colored needles from pyridine"},"Melting Point":{Value:">360 °C"},Solubility:{Value:"Slightly soluble in alcohol; soluble in alkalies, in pyridine. Practically insoluble in ether"},Uses:{Value:"Diagnostic reagent in blood coagulation research"},"Vapor Pressure":{Value:"2.81X10-15 mm Hg at 25 °C (est)"}},ReducedFormula:"C14H6O8"},5281873:{PUBCHEM:{CID:"5281873","Compound Complexity":736,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"[cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate","IUPAC Name CAS-like Style":"3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester","IUPAC Name Markup":"[cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Preferred":"[cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Systematic":"[cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate","IUPAC Name Traditional":"3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester",InChI:"1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-",InChIKey:"ZXQYGBMAQZUVMI-UNOMPAQXSA-N","Log P":6.1,"Exact Mass":449.1005557,"Molecular Formula":"C23H19ClF3NO3","Molecular Weight":449.8,"Monoisotopic Mass":449.1005557,Charge:0,"Easy Name":"Lambda-cyhalothrin","Easy Category":"Insecticide"},HSDB:{"Boiling Point":{Value:"Does not boil at atmospheric pressure"},"Color And Form":{Value:"Viscous liquid yellow-brown"},Density:{Value:"1.25 at 25 °C"},"Melting Point":{Value:"Below 10 °C"},Odor:{Value:"Mild"},"Refractive Index":{Value:"Index of refraction: 1.534 at 24 °C/D"},Solubility:{Value:"In acetone, dichloromethane, methanol, diethyl ether, ethyl acetate, hexane, toluene, all >500 g/L (20 °C)"},Uses:{Value:"For gamma-cyhalothrin (USEPA/OPP Pesticide Code: 128807) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./ /gamma-Cyhalothrin/"},"Vapor Pressure":{Value:"1.1X10-6 mm Hg at 25 °C (est)"}},ReducedFormula:"C23Cl1F3H19N1O3"},5281915:{PUBCHEM:{CID:"5281915","Compound Complexity":1840,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":31,"IUPAC Name Allowed":"2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone","IUPAC Name CAS-like Style":"2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","IUPAC Name Markup":"2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","IUPAC Name Preferred":"2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","IUPAC Name Systematic":"2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione","IUPAC Name Traditional":"2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methyl-p-benzoquinone",InChI:"1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",InChIKey:"ACTIUHUUMQJHFO-UPTCCGCDSA-N","Log P":19.4,"Exact Mass":862.68391138,"Molecular Formula":"C59H90O4","Molecular Weight":863.3,"Monoisotopic Mass":862.68391138,Charge:0,"Easy Name":"Coenzyme Q10","Easy Category":"Vitamin"},HSDB:{},ReducedFormula:"C59H90O4"},5281929:{PUBCHEM:{CID:"5281929","Compound Complexity":281,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"Methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate","IUPAC Name CAS-like Style":"2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester","IUPAC Name Markup":"Methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate","IUPAC Name Preferred":"Methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate","IUPAC Name Systematic":"Methyl 2-[(1R,2R)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoate","IUPAC Name Traditional":"2-[(1R,2R)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester",InChI:"1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",InChIKey:"GEWDNTWNSAZUDX-WQMVXFAESA-N","Log P":1.9,"Exact Mass":224.1412445,"Molecular Formula":"C13H20O3","Molecular Weight":224.3,"Monoisotopic Mass":224.1412445,Charge:0,"Easy Name":"Methyl jasmonate","Easy Category":"Hormone"},HSDB:{"Color And Form":{Value:"Colorless liquid"},Density:{Value:"Specific density: 1.021 at 22.6 °C/4 °C"},Odor:{Value:"Sharp persistent odor"},"Refractive Index":{Value:"Index of refraction: 1.4730 at 21.8 °C/D"},Solubility:{Value:"In water, 340 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"3.37X10-4 mm Hg at 25 °C (est)"}},ReducedFormula:"C13H20O3"},5282073:{PUBCHEM:{CID:"5282073","Compound Complexity":382,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"2-(4-hydroxyphenyl)-7-oxidanyl-chromen-4-one","IUPAC Name Traditional":"7-hydroxy-2-(4-hydroxyphenyl)chromone",InChI:"1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H",InChIKey:"LCAWNFIFMLXZPQ-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":254.0579088,"Molecular Formula":"C15H10O4","Molecular Weight":254.24,"Monoisotopic Mass":254.0579088,Charge:0,"Easy Name":"4', 7-Dihydroxyflavone","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O4"},5282102:{PUBCHEM:{CID:"5282102","Compound Complexity":719,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":7,"Rotatable Bond":4,"IUPAC Name Allowed":"5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",InChIKey:"JPUKWEQWGBDDQB-QSOFNFLRSA-N","Log P":.7,"Exact Mass":448.10056146,"Molecular Formula":"C21H20O11","Molecular Weight":448.4,"Monoisotopic Mass":448.10056146,Charge:0,"Easy Name":"Astragalin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C21H20O11"},5282138:{PUBCHEM:{CID:"5282138","Compound Complexity":896,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":1,"Rotatable Bond":11,"IUPAC Name Allowed":"O5-[(E)-cinnamyl] O3-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name CAS-like Style":"2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-methoxyethyl) ester O5-[(E)-3-phenylprop-2-enyl] ester","IUPAC Name Markup":"3-O-(2-methoxyethyl) 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Preferred":"3-O-(2-methoxyethyl) 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Systematic":"O3-(2-methoxyethyl) O5-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Traditional":"2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[(E)-cinnamyl] ester O3-(2-methoxyethyl) ester",InChI:"1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+",InChIKey:"KJEBULYHNRNJTE-DHZHZOJOSA-N","Log P":4.4,"Exact Mass":492.18965125,"Molecular Formula":"C27H28N2O7","Molecular Weight":492.5,"Monoisotopic Mass":492.18965125,Charge:0,"Easy Name":"Cilnidipine","Easy Category":"Calcium channel blockers"},HSDB:{},ReducedFormula:"C27H28N2O7"},5282150:{PUBCHEM:{CID:"5282150","Compound Complexity":939,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":8,"Rotatable Bond":6,"IUPAC Name Allowed":"7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name CAS-like Style":"7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one","IUPAC Name Markup":"7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Preferred":"7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","IUPAC Name Systematic":"7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one","IUPAC Name Traditional":"7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromone",InChI:"1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",InChIKey:"RPMNUQRUHXIGHK-PYXJVEIZSA-N","Log P":-.2,"Exact Mass":578.16355564,"Molecular Formula":"C27H30O14","Molecular Weight":578.5,"Monoisotopic Mass":578.16355564,Charge:0,"Easy Name":"Rhoifolin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C27H30O14"},5282222:{PUBCHEM:{CID:"5282222","Compound Complexity":422,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methyl-penta-2,4-dienal","IUPAC Name CAS-like Style":"(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal","IUPAC Name Markup":"(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal","IUPAC Name Preferred":"(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal","IUPAC Name Systematic":"(2Z,4E)-3-methyl-5-[(1S,4S,6R)-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]penta-2,4-dienal","IUPAC Name Traditional":"(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methyl-penta-2,4-dienal",InChI:"1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6-/t12-,14+,15-/m0/s1",InChIKey:"ZTALKMXOHWQNIA-TVBSHJCBSA-N","Log P":2,"Exact Mass":250.15689457,"Molecular Formula":"C15H22O3","Molecular Weight":250.33,"Monoisotopic Mass":250.15689457,Charge:0,"Easy Name":"Xanthoxin","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C15H22O3"},5282224:{PUBCHEM:{CID:"5282224","Compound Complexity":452,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienal","IUPAC Name CAS-like Style":"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienal","IUPAC Name Markup":"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienal","IUPAC Name Preferred":"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienal","IUPAC Name Systematic":"(2Z,4E)-3-methyl-5-[(1S)-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienal","IUPAC Name Traditional":"(2Z,4E)-5-[(1S)-1-hydroxy-4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienal",InChI:"1S/C15H20O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-9,18H,10H2,1-4H3/b7-5+,11-6-/t15-/m1/s1",InChIKey:"RIKWDZWVHUIUAM-KICRZJJPSA-N","Log P":1.5,"Exact Mass":248.1412445,"Molecular Formula":"C15H20O3","Molecular Weight":248.32,"Monoisotopic Mass":248.1412445,Charge:0,"Easy Name":"Abscisic aldehyde","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C15H20O3"},5282253:{PUBCHEM:{CID:"5282253","Compound Complexity":510,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"(2S,3S,4S)-3-(carboxymethyl)-4-[(1Z,3E,5R)-5-carboxy-1-methyl-hexa-1,3-dienyl]pyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S)-3-(2-hydroxy-2-oxoethyl)-4-[(2Z,4E,6R)-6-methyl-7-oxidanyl-7-oxidanylidene-hepta-2,4-dien-2-yl]pyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S)-3-(carboxymethyl)-4-[(1Z,3E,5R)-5-carboxy-1-methyl-hexa-1,3-dienyl]proline",InChI:"1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1",InChIKey:"VZFRNCSOCOPNDB-AOKDLOFSSA-N","Log P":-1.3,"Exact Mass":311.1368874,"Molecular Formula":"C15H21NO6","Molecular Weight":311.33,"Monoisotopic Mass":311.1368874,Charge:0,"Easy Name":"Domoic acid","Easy Category":"Amino acids"},HSDB:{"Color And Form":{Value:"Colorless crystal needles"},Density:{Value:"1.27 g/cu cm /Predicted/"},"Refractive Index":{Value:"Index of refraction = 1.55 /Predicted/"},Solubility:{Value:"Soluble in water (8 mg/mL)"},Uses:{Value:"Seaweed Chondria armata may contain domoic acid and extracts of the plant have been used in Japan as an ascaricidal medication at a dose of 20 mg/person without adverse effects. Its insecticidal properties were also known since flies die soon after landing on the seaweeds."},"Vapor Pressure":{Value:"1.5X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H21N1O6"},5282347:{PUBCHEM:{CID:"5282347","Compound Complexity":654,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol","IUPAC Name CAS-like Style":"(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydro-2H-1-benzopyran-6-ol","IUPAC Name Markup":"(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Preferred":"(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Systematic":"(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Traditional":"(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol",InChI:"1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1",InChIKey:"RZFHLOLGZPDCHJ-XZXLULOTSA-N","Log P":9.3,"Exact Mass":424.33413066,"Molecular Formula":"C29H44O2","Molecular Weight":424.7,"Monoisotopic Mass":424.33413066,Charge:0,"Easy Name":"Α-Tocotrienol","Easy Category":"Vitamin E"},HSDB:{},ReducedFormula:"C29H44O2"},5282348:{PUBCHEM:{CID:"5282348","Compound Complexity":625,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol","IUPAC Name CAS-like Style":"(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydro-2H-1-benzopyran-6-ol","IUPAC Name Markup":"(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Preferred":"(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Systematic":"(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Traditional":"(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol",InChI:"1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",InChIKey:"FGYKUFVNYVMTAM-WAZJVIJMSA-N","Log P":8.9,"Exact Mass":410.31848059,"Molecular Formula":"C28H42O2","Molecular Weight":410.6,"Monoisotopic Mass":410.31848059,Charge:0,"Easy Name":"Beta-Tocotrienol","Easy Category":"Vitamin E"},HSDB:{},ReducedFormula:"C28H42O2"},5282349:{PUBCHEM:{CID:"5282349","Compound Complexity":625,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol","IUPAC Name CAS-like Style":"(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydro-2H-1-benzopyran-6-ol","IUPAC Name Markup":"(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Preferred":"(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Systematic":"(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Traditional":"(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol",InChI:"1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",InChIKey:"OTXNTMVVOOBZCV-WAZJVIJMSA-N","Log P":8.9,"Exact Mass":410.31848059,"Molecular Formula":"C28H42O2","Molecular Weight":410.6,"Monoisotopic Mass":410.31848059,Charge:0,"Easy Name":"Gamma-Tocotrienol","Easy Category":"Vitamin E"},HSDB:{},ReducedFormula:"C28H42O2"},5282350:{PUBCHEM:{CID:"5282350","Compound Complexity":596,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol","IUPAC Name CAS-like Style":"(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydro-2H-1-benzopyran-6-ol","IUPAC Name Markup":"(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Preferred":"(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Systematic":"(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol","IUPAC Name Traditional":"(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol",InChI:"1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1",InChIKey:"ODADKLYLWWCHNB-LDYBVBFYSA-N","Log P":8.6,"Exact Mass":396.30283053,"Molecular Formula":"C27H40O2","Molecular Weight":396.6,"Monoisotopic Mass":396.30283053,Charge:0,"Easy Name":"Delta-Tocotrienol","Easy Category":"Vitamin E"},HSDB:{},ReducedFormula:"C27H40O2"},5282595:{PUBCHEM:{CID:"5282595","Compound Complexity":420,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":33,"IUPAC Name Allowed":"Pentatriacontanoic acid","IUPAC Name CAS-like Style":"Pentatriacontanoic acid","IUPAC Name Markup":"Pentatriacontanoic acid","IUPAC Name Preferred":"Pentatriacontanoic acid","IUPAC Name Systematic":"Pentatriacontanoic acid","IUPAC Name Traditional":"Ceroplastic acid",InChI:"1S/C35H70O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(36)37/h2-34H2,1H3,(H,36,37)",InChIKey:"HVUCKZJUWZBJDP-UHFFFAOYSA-N","Log P":16.7,"Exact Mass":522.5375815,"Molecular Formula":"C35H70O2","Molecular Weight":522.9,"Monoisotopic Mass":522.5375815,Charge:0,"Easy Name":"Ceroplastic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C35H70O2"},5282745:{PUBCHEM:{CID:"5282745","Compound Complexity":209,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"(E)-hexadec-9-enoic acid","IUPAC Name CAS-like Style":"(E)-9-hexadecenoic acid","IUPAC Name Markup":"(E)-hexadec-9-enoic acid","IUPAC Name Preferred":"(E)-hexadec-9-enoic acid","IUPAC Name Systematic":"(E)-hexadec-9-enoic acid","IUPAC Name Traditional":"(E)-hexadec-9-enoic acid",InChI:"1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+",InChIKey:"SECPZKHBENQXJG-BQYQJAHWSA-N","Log P":6.4,"Exact Mass":254.22458021,"Molecular Formula":"C16H30O2","Molecular Weight":254.41,"Monoisotopic Mass":254.22458021,Charge:0,"Easy Name":"Palmitelaidic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C16H30O2"},5282761:{PUBCHEM:{CID:"5282761","Compound Complexity":234,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":15,"IUPAC Name Allowed":"(Z)-octadec-11-enoic acid","IUPAC Name CAS-like Style":"(Z)-11-octadecenoic acid","IUPAC Name Markup":"(Z)-octadec-11-enoic acid","IUPAC Name Preferred":"(Z)-octadec-11-enoic acid","IUPAC Name Systematic":"(Z)-octadec-11-enoic acid","IUPAC Name Traditional":"Asclepic acid",InChI:"1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",InChIKey:"UWHZIFQPPBDJPM-FPLPWBNLSA-N","Log P":6.5,"Exact Mass":282.25588034,"Molecular Formula":"C18H34O2","Molecular Weight":282.5,"Monoisotopic Mass":282.25588034,Charge:0,"Easy Name":"Cis-Vaccenic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C18H34O2"},5282767:{PUBCHEM:{CID:"5282767","Compound Complexity":258,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":17,"IUPAC Name Allowed":"(Z)-icos-9-enoic acid","IUPAC Name CAS-like Style":"(Z)-9-eicosenoic acid","IUPAC Name Markup":"(Z)-icos-9-enoic acid","IUPAC Name Preferred":"(Z)-icos-9-enoic acid","IUPAC Name Systematic":"(Z)-icos-9-enoic acid","IUPAC Name Traditional":"Gadoleic acid",InChI:"1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-",InChIKey:"LQJBNNIYVWPHFW-QXMHVHEDSA-N","Log P":7.6,"Exact Mass":310.28718046,"Molecular Formula":"C20H38O2","Molecular Weight":310.5,"Monoisotopic Mass":310.28718046,Charge:0,"Easy Name":"Gadoleic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C20H38O2"},5282768:{PUBCHEM:{CID:"5282768","Compound Complexity":258,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":17,"IUPAC Name 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acid",InChI:"1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-",InChIKey:"KJDZDTDNIULJBE-QXMHVHEDSA-N","Log P":8.7,"Exact Mass":338.31848059,"Molecular Formula":"C22H42O2","Molecular Weight":338.6,"Monoisotopic Mass":338.31848059,Charge:0,"Easy Name":" (11Z)-11-Docosenoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C22H42O2"},5282772:{PUBCHEM:{CID:"5282772","Compound Complexity":284,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":19,"IUPAC Name Allowed":"(E)-docos-13-enoic acid","IUPAC Name CAS-like Style":"(E)-13-docosenoic acid","IUPAC Name Markup":"(E)-docos-13-enoic acid","IUPAC Name Preferred":"(E)-docos-13-enoic acid","IUPAC Name Systematic":"(E)-docos-13-enoic acid","IUPAC Name Traditional":"(E)-docos-13-enoic acid",InChI:"1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+",InChIKey:"DPUOLQHDNGRHBS-MDZDMXLPSA-N","Log P":8.7,"Exact Mass":338.31848059,"Molecular Formula":"C22H42O2","Molecular Weight":338.6,"Monoisotopic Mass":338.31848059,Charge:0,"Easy Name":" (13E)-13-Docosenoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C22H42O2"},5282773:{PUBCHEM:{CID:"5282773","Compound Complexity":309,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":21,"IUPAC Name Allowed":"(E)-tetracos-15-enoic acid","IUPAC Name CAS-like Style":"(E)-15-tetracosenoic acid","IUPAC Name Markup":"(E)-tetracos-15-enoic acid","IUPAC Name Preferred":"(E)-tetracos-15-enoic acid","IUPAC Name Systematic":"(E)-tetracos-15-enoic acid","IUPAC Name Traditional":"(E)-tetracos-15-enoic acid",InChI:"1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9+",InChIKey:"GWHCXVQVJPWHRF-MDZDMXLPSA-N","Log P":9.8,"Exact Mass":366.34978072,"Molecular Formula":"C24H46O2","Molecular Weight":366.6,"Monoisotopic Mass":366.34978072,Charge:0,"Easy Name":" (E)-tetracos-15-enoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C24H46O2"},5282779:{PUBCHEM:{CID:"5282779","Compound Complexity":169,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"(2Z,4Z)-deca-2,4-dienoic acid","IUPAC Name CAS-like Style":"(2Z,4Z)-deca-2,4-dienoic acid","IUPAC Name Markup":"(2Z,4Z)-deca-2,4-dienoic acid","IUPAC Name Preferred":"(2Z,4Z)-deca-2,4-dienoic acid","IUPAC Name Systematic":"(2Z,4Z)-deca-2,4-dienoic acid","IUPAC Name Traditional":"(2Z,4Z)-deca-2,4-dienoic acid",InChI:"1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6-,9-8-",InChIKey:"YKHVVNDSWHSBPA-JPDBVBESSA-N","Log P":3.3,"Exact Mass":168.11502976,"Molecular Formula":"C10H16O2","Molecular Weight":168.23,"Monoisotopic Mass":168.11502976,Charge:0,"Easy Name":"2Z, 4Z-decadienoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C10H16O2"},5282780:{PUBCHEM:{CID:"5282780","Compound Complexity":169,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"(2Z,4E)-deca-2,4-dienoic acid","IUPAC Name CAS-like Style":"(2Z,4E)-deca-2,4-dienoic acid","IUPAC Name Markup":"(2Z,4E)-deca-2,4-dienoic acid","IUPAC Name Preferred":"(2Z,4E)-deca-2,4-dienoic acid","IUPAC Name Systematic":"(2Z,4E)-deca-2,4-dienoic acid","IUPAC Name Traditional":"(2Z,4E)-deca-2,4-dienoic acid",InChI:"1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6+,9-8-",InChIKey:"YKHVVNDSWHSBPA-MUIOLIGRSA-N","Log P":3.3,"Exact Mass":168.11502976,"Molecular Formula":"C10H16O2","Molecular Weight":168.23,"Monoisotopic Mass":168.11502976,Charge:0,"Easy Name":" (2Z, 4E)-deca-2, 4-dienoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C10H16O2"},5282781:{PUBCHEM:{CID:"5282781","Compound Complexity":169,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"(2E,4Z)-deca-2,4-dienoic acid","IUPAC Name CAS-like Style":"(2E,4Z)-deca-2,4-dienoic acid","IUPAC Name Markup":"(2E,4Z)-deca-2,4-dienoic acid","IUPAC Name Preferred":"(2E,4Z)-deca-2,4-dienoic acid","IUPAC Name Systematic":"(2E,4Z)-deca-2,4-dienoic acid","IUPAC Name Traditional":"(2E,4Z)-deca-2,4-dienoic acid",InChI:"1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6-,9-8+",InChIKey:"YKHVVNDSWHSBPA-NMMTYZSQSA-N","Log P":3.3,"Exact Mass":168.11502976,"Molecular Formula":"C10H16O2","Molecular Weight":168.23,"Monoisotopic Mass":168.11502976,Charge:0,"Easy Name":"Trans, cis-stillingic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C10H16O2"},5282782:{PUBCHEM:{CID:"5282782","Compound Complexity":169,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"(2E,4E)-deca-2,4-dienoic acid","IUPAC Name CAS-like Style":"(2E,4E)-deca-2,4-dienoic acid","IUPAC Name Markup":"(2E,4E)-deca-2,4-dienoic acid","IUPAC Name Preferred":"(2E,4E)-deca-2,4-dienoic acid","IUPAC Name Systematic":"(2E,4E)-deca-2,4-dienoic acid","IUPAC Name Traditional":"(2E,4E)-deca-2,4-dienoic acid",InChI:"1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6+,9-8+",InChIKey:"YKHVVNDSWHSBPA-BLHCBFLLSA-N","Log P":3.3,"Exact Mass":168.11502976,"Molecular Formula":"C10H16O2","Molecular Weight":168.23,"Monoisotopic Mass":168.11502976,Charge:0,"Easy Name":"Trans, trans-2, 4-decadienoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C10H16O2"},5282800:{PUBCHEM:{CID:"5282800","Compound Complexity":267,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":14,"IUPAC Name Allowed":"(10E,12Z)-octadeca-10,12-dienoic acid","IUPAC Name CAS-like Style":"(10E,12Z)-octadeca-10,12-dienoic acid","IUPAC Name Markup":"(10E,12Z)-octadeca-10,12-dienoic acid","IUPAC Name Preferred":"(10E,12Z)-octadeca-10,12-dienoic acid","IUPAC Name Systematic":"(10E,12Z)-octadeca-10,12-dienoic acid","IUPAC Name Traditional":"(10E,12Z)-octadeca-10,12-dienoic acid",InChI:"1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+",InChIKey:"GKJZMAHZJGSBKD-NMMTYZSQSA-N","Log P":7.1,"Exact Mass":280.24023027,"Molecular Formula":"C18H32O2","Molecular Weight":280.4,"Monoisotopic Mass":280.24023027,Charge:0,"Easy Name":"10E, 12Z-octadecadienoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H32O2"},5282855:{PUBCHEM:{CID:"5282855","Compound Complexity":305,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"(E)-13-cyclopent-2-en-1-yltridec-6-enoic acid","IUPAC Name CAS-like Style":"(E)-13-(1-cyclopent-2-enyl)-6-tridecenoic acid","IUPAC Name Markup":"(E)-13-cyclopent-2-en-1-yltridec-6-enoic acid","IUPAC Name Preferred":"(E)-13-cyclopent-2-en-1-yltridec-6-enoic acid","IUPAC Name Systematic":"(E)-13-cyclopent-2-en-1-yltridec-6-enoic acid","IUPAC Name Traditional":"(E)-13-cyclopent-2-en-1-yltridec-6-enoic acid",InChI:"1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2+",InChIKey:"XADKGDBMULSEAC-DUXPYHPUSA-N","Log P":6.1,"Exact Mass":278.22458021,"Molecular Formula":"C18H30O2","Molecular Weight":278.4,"Monoisotopic Mass":278.22458021,Charge:0,"Easy Name":"Gorlic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H30O2"},5282949:{PUBCHEM:{CID:"5282949","Compound Complexity":316,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":14,"IUPAC Name Allowed":"(9Z,11E,13E)-18-hydroxyoctadeca-9,11,13-trienoic acid","IUPAC Name CAS-like Style":"(9Z,11E,13E)-18-hydroxyoctadeca-9,11,13-trienoic acid","IUPAC Name Markup":"(9Z,11E,13E)-18-hydroxyoctadeca-9,11,13-trienoic acid","IUPAC Name Preferred":"(9Z,11E,13E)-18-hydroxyoctadeca-9,11,13-trienoic acid","IUPAC Name Systematic":"(9Z,11E,13E)-18-oxidanyloctadeca-9,11,13-trienoic acid","IUPAC Name Traditional":"(9Z,11E,13E)-18-hydroxyoctadeca-9,11,13-trienoic acid",InChI:"1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)/b2-1-,5-3+,9-7+",InChIKey:"YPHQMIRXEFDOQM-ALXQIFAGSA-N","Log P":4.8,"Exact Mass":294.21949483,"Molecular Formula":"C18H30O3","Molecular Weight":294.4,"Monoisotopic Mass":294.21949483,Charge:0,"Easy Name":"Α-Kamlolenic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C18H30O3"},5283028:{PUBCHEM:{CID:"5283028","Compound Complexity":233,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"(E)-dodec-2-enedioic acid","IUPAC Name CAS-like Style":"(E)-2-dodecenedioic acid","IUPAC Name Markup":"(E)-dodec-2-enedioic acid","IUPAC Name Preferred":"(E)-dodec-2-enedioic acid","IUPAC Name Systematic":"(E)-dodec-2-enedioic acid","IUPAC Name Traditional":"(E)-dodec-2-enedioic acid",InChI:"1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+",InChIKey:"MAZWDMBCPDUFDJ-VQHVLOKHSA-N","Log P":3,"Exact Mass":228.13615912,"Molecular Formula":"C12H20O4","Molecular Weight":228.28,"Monoisotopic Mass":228.13615912,Charge:0,"Easy Name":"Traumatic Acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H20O4"},5283308:{PUBCHEM:{CID:"5283308","Compound Complexity":64.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-hex-4-enal","IUPAC Name CAS-like Style":"(E)-4-hexenal","IUPAC Name Markup":"(E)-hex-4-enal","IUPAC Name Preferred":"(E)-hex-4-enal","IUPAC Name Systematic":"(E)-hex-4-enal","IUPAC Name Traditional":"(E)-hex-4-enal",InChI:"1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2+",InChIKey:"DPCMFIRORYQTCL-NSCUHMNNSA-N","Log P":1,"Exact Mass":98.073164942,"Molecular Formula":"C6H10O","Molecular Weight":98.14,"Monoisotopic Mass":98.073164942,Charge:0,"Easy Name":"Trans-4-Hexenal","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1"},5283820:{PUBCHEM:{CID:"5283820","Compound Complexity":605,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1",InChIKey:"DGABKXLVXPYZII-SIBKNCMHSA-N","Log P":4.9,"Exact Mass":392.29265977,"Molecular Formula":"C24H40O4","Molecular Weight":392.6,"Monoisotopic Mass":392.29265977,Charge:0,"Easy Name":"Hyodeoxycholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O4"},5283822:{PUBCHEM:{CID:"5283822","Compound Complexity":605,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1",InChIKey:"DGABKXLVXPYZII-MMTMODRTSA-N","Log P":4.9,"Exact Mass":392.29265977,"Molecular Formula":"C24H40O4","Molecular Weight":392.6,"Monoisotopic Mass":392.29265977,Charge:0,"Easy Name":"Isohyodeoxycholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O4"},5283853:{PUBCHEM:{CID:"5283853","Compound Complexity":637,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6,7-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1",InChIKey:"DKPMWHFRUGMUKF-CRKPLTDNSA-N","Log P":3.9,"Exact Mass":408.28757439,"Molecular Formula":"C24H40O5","Molecular Weight":408.6,"Monoisotopic Mass":408.28757439,Charge:0,"Easy Name":"Beta-muricholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O5"},5283892:{PUBCHEM:{CID:"5283892","Compound Complexity":637,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R,4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-pentanoic acid","IUPAC Name CAS-like Style":"(2R,4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid","IUPAC Name Markup":"(2R,4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid","IUPAC Name Preferred":"(2R,4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid","IUPAC Name Systematic":"(2R,4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-pentanoic acid","IUPAC Name Traditional":"(2R,4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-valeric acid",InChI:"1S/C24H40O5/c1-13(10-20(26)22(28)29)17-6-7-18-16-5-4-14-11-15(25)8-9-23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1",InChIKey:"JVQJVQQIJKFTBS-OIQRMTBLSA-N","Log P":4.4,"Exact Mass":408.28757439,"Molecular Formula":"C24H40O5","Molecular Weight":408.6,"Monoisotopic Mass":408.28757439,Charge:0,"Easy Name":"Bitocholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O5"},5284351:{PUBCHEM:{CID:"5284351","Compound Complexity":855,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;(2E)-3-oxo-2-(3-oxo-5-sulfonato-indolin-2-ylidene)indoline-5-sulfonate","IUPAC Name CAS-like Style":"Disodium;(2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate","IUPAC Name Markup":"Disodium;(2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate","IUPAC Name Preferred":"Disodium;(2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate","IUPAC Name Systematic":"Disodium;(2E)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate","IUPAC Name Traditional":"Disodium;(2E)-3-keto-2-(3-keto-5-sulfonato-indolin-2-ylidene)indoline-5-sulfonate",InChI:"1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;;",InChIKey:"KHLVKKOJDHCJMG-QDBORUFSSA-L","Exact Mass":465.95174614,"Molecular Formula":"C16H8N2Na2O8S2","Molecular Weight":466.4,"Monoisotopic Mass":465.95174614,Charge:0,"Easy Name":"Indigo carmine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C16H8N2Na2O8S2"},5284371:{PUBCHEM:{CID:"5284371","Compound Complexity":509,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol","IUPAC Name CAS-like Style":"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol","IUPAC Name Markup":"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol","IUPAC Name Preferred":"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol","IUPAC Name Systematic":"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol","IUPAC Name Traditional":"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol",InChI:"1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",InChIKey:"OROGSEYTTFOCAN-DNJOTXNNSA-N","Log P":1.1,"Exact Mass":299.15214354,"Molecular Formula":"C18H21NO3","Molecular Weight":299.4,"Monoisotopic Mass":299.15214354,Charge:0,"Easy Name":"Codeine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Orthorhombic crystals from water, dilute alcohol, ether"},"Melting Point":{Value:"157.5 °C"},Solubility:{Value:"Soluble in water"},Uses:{Value:"Analgesics, Opioid; Antitussive Agents; Narcotics"},"Vapor Pressure":{Value:"5.54X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C18H21N1O3"},5284433:{PUBCHEM:{CID:"5284433","Compound Complexity":588,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(1S,2R,3S,7R,9R,10R,11S,12S)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one","IUPAC Name CAS-like Style":"(1S,2R,3S,7R,9R,10R,11S,12S)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]one","IUPAC Name Markup":"(1S,2R,3S,7R,9R,10R,11S,12S)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one","IUPAC Name Preferred":"(1S,2R,3S,7R,9R,10R,11S,12S)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one","IUPAC Name Systematic":"(1S,2R,3S,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethyl-3,10,11-tris(oxidanyl)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one","IUPAC Name Traditional":"(1S,2R,3S,7R,9R,10R,11S,12S)-3,10,11-trihydroxy-1,5-dimethyl-2-methylol-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one",InChI:"1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15+/m1/s1",InChIKey:"UKOTXHQERFPCBU-XBXCNEFVSA-N","Log P":-1.7,"Exact Mass":312.12090298,"Molecular Formula":"C15H20O7","Molecular Weight":312.31,"Monoisotopic Mass":312.12090298,Charge:0,"Easy Name":"Nivalenol","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Crystals from methanol"},"Melting Point":{Value:"222-223 °C, decomposes"},Solubility:{Value:"In water, 3.54X10+5 mg/L at 25 °C (est)"},Uses:{Value:"Implicated as a chemical warfare agent in Southeast Asia with T-2-toxin."},"Vapor Pressure":{Value:"6.89X10-13 mm Hg at 25 °C (est)"}},ReducedFormula:"C15H20O7"},5284447:{PUBCHEM:{CID:"5284447","Compound Complexity":1220,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":7,"Rotatable Bond":3,"IUPAC Name Allowed":"(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid","IUPAC Name CAS-like Style":"(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid","IUPAC Name Markup":"(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid","IUPAC Name Preferred":"(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid","IUPAC Name Systematic":"(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-12-methyl-1,3,26-tris(oxidanyl)-10-oxidanylidene-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid","IUPAC Name Traditional":"(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3,26-trihydroxy-10-keto-12-methyl-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid",InChI:"1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1",InChIKey:"NCXMLFZGDNKEPB-FFPOYIOWSA-N","Log P":-1.3,"Exact Mass":665.30474057,"Molecular Formula":"C33H47NO13","Molecular Weight":665.7,"Monoisotopic Mass":665.30474057,Charge:0,"Easy Name":"Natamycin","Easy Category":"Preservative"},HSDB:{},ReducedFormula:"C33H47N1O13"},5284461:{PUBCHEM:{CID:"5284461","Compound Complexity":881,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetoxy-2-(acetoxymethyl)-10-hydroxy-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate","IUPAC Name CAS-like Style":"3-methylbutanoic acid [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethyl-4-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]yl] ester","IUPAC Name Markup":"[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate","IUPAC Name Preferred":"[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate","IUPAC Name Systematic":"[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-1,5-dimethyl-10-oxidanyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate","IUPAC Name Traditional":"3-methylbutyric acid [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetoxy-2-(acetoxymethyl)-10-hydroxy-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] ester",InChI:"1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1",InChIKey:"BXFOFFBJRFZBQZ-QYWOHJEZSA-N","Log P":.9,"Exact Mass":466.22028267,"Molecular Formula":"C24H34O9","Molecular Weight":466.5,"Monoisotopic Mass":466.22028267,Charge:0,"Easy Name":"T-2 mycotoxin","Easy Category":"Organic compound"},HSDB:{"Color And Form":{Value:"White needles from benzene & Skellysolve B; acetate deriv: amorphous solid from ether & pentane"},"Melting Point":{Value:"151-152 °C"},Solubility:{Value:"In water, 95.9 mg/L at 25 °C (est)"},Uses:{Value:"Implicated as a chemical warfare agent in Southeast Asia with Nivalenol."},"Vapor Pressure":{Value:"3.06X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C24H34O9"},5284506:{PUBCHEM:{CID:"5284506","Compound Complexity":179,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-3-[4-(dimethylamino)phenyl]prop-2-enal","IUPAC Name CAS-like Style":"(E)-3-[4-(dimethylamino)phenyl]-2-propenal","IUPAC Name Markup":"(E)-3-[4-(dimethylamino)phenyl]prop-2-enal","IUPAC Name Preferred":"(E)-3-[4-(dimethylamino)phenyl]prop-2-enal","IUPAC Name Systematic":"(E)-3-[4-(dimethylamino)phenyl]prop-2-enal","IUPAC Name Traditional":"(E)-3-[4-(dimethylamino)phenyl]acrolein",InChI:"1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+",InChIKey:"RUKJCCIJLIMGEP-ONEGZZNKSA-N","Log P":2.3,"Exact Mass":175.09971404,"Molecular Formula":"C11H13NO","Molecular Weight":175.23,"Monoisotopic Mass":175.09971404,Charge:0,"Easy Name":"P-Dimethylaminocinnamaldehyde","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C11H13N1O1"},5284579:{PUBCHEM:{CID:"5284579","Compound Complexity":1390,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":3,"Rotatable Bond":14,"IUPAC Name Allowed":"[(2S,3R,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,6S,7R,9R,10R,11E,13E,16R)-4-acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate","IUPAC Name CAS-like Style":"3-methylbutanoic acid [(2S,3R,4R,6S)-6-[[(2R,3S,4R,5R,6S)-6-[[(4R,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester","IUPAC Name Markup":"[(2S,3R,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate","IUPAC Name Preferred":"[(2S,3R,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate","IUPAC Name Systematic":"[(2S,3R,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate","IUPAC Name Traditional":"3-methylbutyric acid [(2S,3R,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,6S,7R,9R,10R,11E,13E,16R)-4-acetoxy-10-hydroxy-2-keto-7-(2-ketoethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] ester",InChI:"1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39?,40-,41+,42-/m1/s1",InChIKey:"XJSFLOJWULLJQS-HTYUZQQASA-N","Log P":2.9,"Exact Mass":827.46672052,"Molecular Formula":"C42H69NO15","Molecular Weight":828,"Monoisotopic Mass":827.46672052,Charge:0,"Easy Name":"Josamycin","Easy Category":"Antibacterial"},HSDB:{},ReducedFormula:"C42H69N1O15"},5284596:{PUBCHEM:{CID:"5284596","Compound Complexity":594,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name CAS-like Style":"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Markup":"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Preferred":"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Systematic":"(4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Traditional":"(4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",InChI:"1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1",InChIKey:"UZHSEJADLWPNLE-GRGSLBFTSA-N","Log P":2.1,"Exact Mass":327.14705816,"Molecular Formula":"C19H21NO4","Molecular Weight":327.4,"Monoisotopic Mass":327.14705816,Charge:0,"Easy Name":"Naloxone","Easy Category":"Pharmaceutical drug"},HSDB:{"Color And Form":{Value:"Crystals from ethyl acetate"},"Melting Point":{Value:"178 °C"},Solubility:{Value:"In water, 1,415 mg/L at 25 °C (est)"},Uses:{Value:"MEDICATION"},"Vapor Pressure":{Value:"4.25X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C19H21N1O4"},5284603:{PUBCHEM:{CID:"5284603","Compound Complexity":553,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name CAS-like Style":"(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Markup":"(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Preferred":"(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Systematic":"(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-4a-oxidanyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Traditional":"(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",InChI:"1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1",InChIKey:"BRUQQQPBMZOVGD-XFKAJCMBSA-N","Log P":1.2,"Exact Mass":315.14705816,"Molecular Formula":"C18H21NO4","Molecular Weight":315.4,"Monoisotopic Mass":315.14705816,Charge:0,"Easy Name":"Oxycodone","Easy Category":"Pharmaceutical drug"},HSDB:{"Color And Form":{Value:"Rods from ethanol"},"Melting Point":{Value:"219 °C"},Solubility:{Value:"In water, 4.25X10+3 mg/L at 25 °C (est)"},Uses:{Value:"Oxycodone (DEA Code Number: 9143) is a Schedule II controlled substance."},"Vapor Pressure":{Value:"2.29X10-10 mm Hg at 25 °C (est)"}},ReducedFormula:"C18H21N1O4"},5284645:{PUBCHEM:{CID:"5284645","Compound Complexity":408,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"(4S,8R,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name CAS-like Style":"(4S,8R,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name Markup":"(4S,8R,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name Preferred":"(4S,8R,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name Systematic":"(4S,8R,12E)-4-methyl-8,16,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name Traditional":"(4S,8R,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one",InChI:"1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1",InChIKey:"FPQFYIAXQDXNOR-QDKLYSGJSA-N","Log P":4,"Exact Mass":320.16237387,"Molecular Formula":"C18H24O5","Molecular Weight":320.4,"Monoisotopic Mass":320.16237387,Charge:0,"Easy Name":"Alpha-Zearalenol","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C18H24O5"},5287573:{PUBCHEM:{CID:"5287573","Compound Complexity":15.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(Z)-but-2-ene","IUPAC Name CAS-like Style":"(Z)-2-butene","IUPAC Name Markup":"(Z)-but-2-ene","IUPAC Name Preferred":"(Z)-but-2-ene","IUPAC Name Systematic":"(Z)-but-2-ene","IUPAC Name Traditional":"(Z)-but-2-ene",InChI:"1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-",InChIKey:"IAQRGUVFOMOMEM-ARJAWSKDSA-N","Log P":2.3,"Exact Mass":56.062600258,"Molecular Formula":"C4H8","Molecular Weight":56.11,"Monoisotopic Mass":56.062600258,Charge:0,"Easy Name":"Z-β-butylene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"3.72 °C"},"Color And Form":{Value:"Flammable gas"},Density:{Value:"0.616 g/cu cm at 25 °C"},"Heat Of Vaporization":{Value:"22.17 kJ/mol"},"Melting Point":{Value:"-138.89 °C"},"NFPA Hazard Classification":{Value:"1-4-0"},Odor:{Value:"Slightly aromatic odor"},"Refractive Index":{Value:"Index of refraction: 1.3931 at 25 °C"},Solubility:{Value:"In water, 658 mg/L at 25 °C"},Uses:{Value:"For cis-2-butene (USEPA/OPP Pesticide Code: 606666) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Density":{Value:"1.9 (Air = 1)"},"Vapor Pressure":{Value:"1,600 mm Hg at 25 °C"},Viscosity:{Value:"0.00782 mPa"}},ReducedFormula:"C4H8"},5288529:{PUBCHEM:{CID:"5288529","Compound Complexity":2130,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":3,"Rotatable Bond":18,"IUPAC Name Allowed":"Ferrous;3-[18-(2-carboxyethyl)-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl]-3,8,13-trimethyl-7-vinyl-porphyrin-22,24-diid-2-yl]propanoic acid","IUPAC Name CAS-like Style":"3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13-trimethyl-2-porphyrin-22,24-diidyl]propanoic acid;iron(2+)","IUPAC Name Markup":"3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13-trimethylporphyrin-22,24-diid-2-yl]propanoic acid;iron(2+)","IUPAC Name Preferred":"3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13-trimethylporphyrin-22,24-diid-2-yl]propanoic acid;iron(2+)","IUPAC Name Systematic":"3-[7-ethenyl-18-(3-hydroxy-3-oxopropyl)-17-methanoyl-3,8,13-trimethyl-12-[(1S,4E,8E)-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]porphyrin-22,24-diid-2-yl]propanoic acid;iron(2+)","IUPAC Name Traditional":"Ferrous;3-[18-(2-carboxyethyl)-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl]-3,8,13-trimethyl-7-vinyl-porphine-22,24-diid-2-yl]propionic acid",InChI:"1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+2/p-2/b29-15+,30-17+,38-23?,39-25?,40-24?,41-23?,42-26?,43-26?,44-24?,45-25?;/t46-;/m0./s1",InChIKey:"ZGGYGTCPXNDTRV-YRJWGCQVSA-L","Exact Mass":852.354921,"Molecular Formula":"C49H56FeN4O6","Molecular Weight":852.8,"Monoisotopic Mass":852.354921,Charge:0,"Easy Name":"Heme-A","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"C49Fe1H56N4O6"},5311217:{PUBCHEM:{CID:"5311217","Compound Complexity":805,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":11,"IUPAC Name Allowed":"Diethyl 4-[2-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name CAS-like Style":"2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester","IUPAC Name Markup":"Diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Preferred":"Diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Systematic":"Diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Traditional":"4-[2-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester",InChI:"1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+",InChIKey:"GKQPCPXONLDCMU-CCEZHUSRSA-N","Log P":4.5,"Exact Mass":455.23078779,"Molecular Formula":"C26H33NO6","Molecular Weight":455.5,"Monoisotopic Mass":455.23078779,Charge:0,"Easy Name":"Lacidipine","Easy Category":"Calcium channel blockers"},HSDB:{},ReducedFormula:"C26H33N1O6"},5311281:{PUBCHEM:{CID:"5311281","Compound Complexity":859,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione","IUPAC Name CAS-like Style":"(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-6,15-dihydroxy-10,17-dimethyl-16-methylene-19-(phenylmethyl)-2-oxa-20-azatricyclo[12.7.0.01,18]heneicosa-4,12-diene-3,21-dione","IUPAC Name Markup":"(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione","IUPAC Name Preferred":"(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione","IUPAC Name Systematic":"(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-10,17-dimethyl-16-methylidene-6,15-bis(oxidanyl)-19-(phenylmethyl)-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione","IUPAC Name Traditional":"(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylene-2-oxa-20-azatricyclo[12.7.0.01,18]heneicosa-4,12-diene-3,21-quinone",InChI:"1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1",InChIKey:"GBOGMAARMMDZGR-TYHYBEHESA-N","Log P":3.4,"Exact Mass":479.2671733,"Molecular Formula":"C29H37NO5","Molecular Weight":479.6,"Monoisotopic Mass":479.2671733,Charge:0,"Easy Name":"Cytochalasin B","Easy Category":"Lactone"},HSDB:{"Color And Form":{Value:"FELTED NEEDLES FROM ACETONE"},"Melting Point":{Value:"218-221 °C"}},ReducedFormula:"C29H37N1O5"},5312381:{PUBCHEM:{CID:"5312381","Compound Complexity":162,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"(Z)-dodec-9-enoic acid","IUPAC Name CAS-like Style":"(Z)-9-dodecenoic acid","IUPAC Name Markup":"(Z)-dodec-9-enoic acid","IUPAC Name Preferred":"(Z)-dodec-9-enoic acid","IUPAC Name Systematic":"(Z)-dodec-9-enoic acid","IUPAC Name Traditional":"(Z)-dodec-9-enoic acid",InChI:"1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-4H,2,5-11H2,1H3,(H,13,14)/b4-3-",InChIKey:"FKLSONDBCYHMOQ-ARJAWSKDSA-N","Log P":4,"Exact Mass":198.16197995,"Molecular Formula":"C12H22O2","Molecular Weight":198.3,"Monoisotopic Mass":198.16197995,Charge:0,"Easy Name":"Lauroleic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C12H22O2"},5312402:{PUBCHEM:{CID:"5312402","Compound Complexity":185,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":11,"IUPAC Name Allowed":"(E)-tetradec-9-enoic acid","IUPAC Name CAS-like Style":"(E)-9-tetradecenoic acid","IUPAC Name Markup":"(E)-tetradec-9-enoic acid","IUPAC Name Preferred":"(E)-tetradec-9-enoic acid","IUPAC Name Systematic":"(E)-tetradec-9-enoic acid","IUPAC Name Traditional":"(E)-tetradec-9-enoic acid",InChI:"1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+",InChIKey:"YWWVWXASSLXJHU-AATRIKPKSA-N","Log P":5.1,"Exact Mass":226.19328008,"Molecular Formula":"C14H26O2","Molecular Weight":226.35,"Monoisotopic Mass":226.19328008,Charge:0,"Easy Name":" (E)-tetradec-9-enoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C14H26O2"},5312549:{PUBCHEM:{CID:"5312549","Compound Complexity":284,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":19,"IUPAC Name Allowed":"(E)-docos-11-enoic acid","IUPAC Name CAS-like Style":"(E)-11-docosenoic acid","IUPAC Name Markup":"(E)-docos-11-enoic acid","IUPAC Name Preferred":"(E)-docos-11-enoic acid","IUPAC Name Systematic":"(E)-docos-11-enoic acid","IUPAC Name Traditional":"(E)-docos-11-enoic acid",InChI:"1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11+",InChIKey:"KJDZDTDNIULJBE-VAWYXSNFSA-N","Log P":8.7,"Exact Mass":338.31848059,"Molecular Formula":"C22H42O2","Molecular Weight":338.6,"Monoisotopic Mass":338.31848059,Charge:0,"Easy Name":" (11E)-11-Docosenoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C22H42O2"},5312686:{PUBCHEM:{CID:"5312686","Compound Complexity":394,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"Octadec-17-en-9,11-diynoic acid","IUPAC Name CAS-like Style":"Octadec-17-en-9,11-diynoic acid","IUPAC Name Markup":"Octadec-17-en-9,11-diynoic acid","IUPAC Name Preferred":"Octadec-17-en-9,11-diynoic acid","IUPAC Name Systematic":"Octadec-17-en-9,11-diynoic acid","IUPAC Name Traditional":"Octadec-17-en-9,11-diynoic acid",InChI:"1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-6,11-17H2,(H,19,20)",InChIKey:"OASRDXXKKGHDJZ-UHFFFAOYSA-N","Log P":5.8,"Exact Mass":274.19328008,"Molecular Formula":"C18H26O2","Molecular Weight":274.4,"Monoisotopic Mass":274.19328008,Charge:0,"Easy Name":"Bolecic Acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H26O2"},5312688:{PUBCHEM:{CID:"5312688","Compound Complexity":317,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"(E)-octadec-11-en-9-ynoic acid","IUPAC Name CAS-like Style":"(E)-octadec-11-en-9-ynoic acid","IUPAC Name Markup":"(E)-octadec-11-en-9-ynoic acid","IUPAC Name Preferred":"(E)-octadec-11-en-9-ynoic acid","IUPAC Name Systematic":"(E)-octadec-11-en-9-ynoic acid","IUPAC Name Traditional":"(E)-octadec-11-en-9-ynoic acid",InChI:"1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)/b8-7+",InChIKey:"VENIIVIRETXKSV-BQYQJAHWSA-N","Log P":6.6,"Exact Mass":278.22458021,"Molecular Formula":"C18H30O2","Molecular Weight":278.4,"Monoisotopic Mass":278.22458021,Charge:0,"Easy Name":"Ximeninic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H30O2"},5312689:{PUBCHEM:{CID:"5312689","Compound Complexity":317,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"(Z)-octadec-11-en-9-ynoic acid","IUPAC Name CAS-like Style":"(Z)-octadec-11-en-9-ynoic acid","IUPAC Name Markup":"(Z)-octadec-11-en-9-ynoic acid","IUPAC Name Preferred":"(Z)-octadec-11-en-9-ynoic acid","IUPAC Name Systematic":"(Z)-octadec-11-en-9-ynoic acid","IUPAC Name Traditional":"(Z)-octadec-11-en-9-ynoic acid",InChI:"1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)/b8-7-",InChIKey:"VENIIVIRETXKSV-FPLPWBNLSA-N","Log P":6.6,"Exact Mass":278.22458021,"Molecular Formula":"C18H30O2","Molecular Weight":278.4,"Monoisotopic Mass":278.22458021,Charge:0,"Easy Name":" (Z)-octadec-11-en-9-ynoic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H30O2"},5312909:{PUBCHEM:{CID:"5312909","Compound Complexity":323,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":16,"IUPAC Name Allowed":"9,10-dioxooctadecanoic acid","IUPAC Name CAS-like Style":"9,10-dioxooctadecanoic acid","IUPAC Name Markup":"9,10-dioxooctadecanoic acid","IUPAC Name Preferred":"9,10-dioxooctadecanoic acid","IUPAC Name Systematic":"9,10-bis(oxidanylidene)octadecanoic acid","IUPAC Name Traditional":"9,10-diketostearic acid",InChI:"1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h2-15H2,1H3,(H,21,22)",InChIKey:"UCJSYDRGZVWHJS-UHFFFAOYSA-N","Log P":4.9,"Exact Mass":312.23005951,"Molecular Formula":"C18H32O4","Molecular Weight":312.4,"Monoisotopic Mass":312.23005951,Charge:0,"Easy Name":"Stearoxylic Acid","Easy Category":"Keto acids"},HSDB:{},ReducedFormula:"C18H32O4"},5314498:{PUBCHEM:{CID:"5314498","Compound Complexity":116,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2,5-dimethoxyphenol","IUPAC Name CAS-like Style":"2,5-dimethoxyphenol","IUPAC Name Markup":"2,5-dimethoxyphenol","IUPAC Name Preferred":"2,5-dimethoxyphenol","IUPAC Name Systematic":"2,5-dimethoxyphenol","IUPAC Name Traditional":"2,5-dimethoxyphenol",InChI:"1S/C8H10O3/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,9H,1-2H3",InChIKey:"KYFBKHRLIHDKPB-UHFFFAOYSA-N","Log P":.8,"Exact Mass":154.06299418,"Molecular Formula":"C8H10O3","Molecular Weight":154.16,"Monoisotopic Mass":154.06299418,Charge:0,"Easy Name":"2, 5-Dimethoxyphenol","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C8H10O3"},5315650:{PUBCHEM:{CID:"5315650","Compound Complexity":220,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"2,2-dimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name CAS-like Style":"2,2-dimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Markup":"2,2-dimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Preferred":"2,2-dimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Systematic":"2,2-dimethylcyclopentane-1,3-dicarboxylic acid","IUPAC Name Traditional":"2,2-dimethylcyclopentane-1,3-dicarboxylic acid",InChI:"1S/C9H14O4/c1-9(2)5(7(10)11)3-4-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)",InChIKey:"UXWJRSXVTCIERS-UHFFFAOYSA-N","Log P":1,"Exact Mass":186.08920893,"Molecular Formula":"C9H14O4","Molecular Weight":186.2,"Monoisotopic Mass":186.08920893,Charge:0,"Easy Name":"2, 2-Dimethyl-1, 3-cyclopentanedicarboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C9H14O4"},5315941:{PUBCHEM:{CID:"5315941","Compound Complexity":208,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(9Z)-cycloheptadec-9-en-1-one","IUPAC Name CAS-like Style":"(9Z)-1-cycloheptadec-9-enone","IUPAC Name Markup":"(9Z)-cycloheptadec-9-en-1-one","IUPAC Name Preferred":"(9Z)-cycloheptadec-9-en-1-one","IUPAC Name Systematic":"(9Z)-cycloheptadec-9-en-1-one","IUPAC Name Traditional":"(9Z)-cycloheptadec-9-en-1-one",InChI:"1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-",InChIKey:"ZKVZSBSZTMPBQR-UPHRSURJSA-N","Log P":6.1,"Exact Mass":250.22966559,"Molecular Formula":"C17H30O","Molecular Weight":250.4,"Monoisotopic Mass":250.22966559,Charge:0,"Easy Name":"Civetone","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C17H30O1"},5317157:{PUBCHEM:{CID:"5317157","Compound Complexity":1e3,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":10,"Rotatable Bond":7,"IUPAC Name Allowed":"3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-3,5-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C27H30O16/c28-7-14-17(31)20(34)23(37)26(42-14)39-8-15-18(32)21(35)24(38)27(43-15)40-11-5-12(30)16-13(6-11)41-25(22(36)19(16)33)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-21,23-24,26-32,34-38H,7-8H2/t14-,15-,17-,18-,20+,21+,23-,24-,26-,27-/m1/s1",InChIKey:"OJNIAAPQTVLMGK-UINLEYECSA-N","Log P":-1.4,"Exact Mass":610.15338488,"Molecular Formula":"C27H30O16","Molecular Weight":610.5,"Monoisotopic Mass":610.15338488,Charge:0,"Easy Name":"Equisetrin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C27H30O16"},5317742:{PUBCHEM:{CID:"5317742","Compound Complexity":545,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"3-methoxy-2-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-6a,9-diol","IUPAC Name CAS-like Style":"3-methoxy-2-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c][1]benzopyran-6a,9-diol","IUPAC Name Markup":"3-methoxy-2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-6a,9-diol","IUPAC Name Preferred":"3-methoxy-2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-6a,9-diol","IUPAC Name Systematic":"3-methoxy-2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-6a,9-diol","IUPAC Name Traditional":"3-methoxy-2-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-6a,9-diol",InChI:"1S/C21H22O5/c1-12(2)4-5-13-8-15-18(10-17(13)24-3)25-11-21(23)16-7-6-14(22)9-19(16)26-20(15)21/h4,6-10,20,22-23H,5,11H2,1-3H3",InChIKey:"WOKIXZBYDPTMJD-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":354.14672381,"Molecular Formula":"C21H22O5","Molecular Weight":354.4,"Monoisotopic Mass":354.14672381,Charge:0,"Easy Name":"Glyceollin IV","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C21H22O5"},5317750:{PUBCHEM:{CID:"5317750","Compound Complexity":424,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one","IUPAC Name CAS-like Style":"7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-1-benzopyran-4-one","IUPAC Name Markup":"7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one","IUPAC Name Preferred":"7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one","IUPAC Name Systematic":"3-(4-hydroxyphenyl)-6-methoxy-7-oxidanyl-chromen-4-one","IUPAC Name Traditional":"7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromone",InChI:"1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",InChIKey:"DXYUAIFZCFRPTH-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":"Glycitein","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C16H12O5"},5318432:{PUBCHEM:{CID:"5318432","Compound Complexity":453,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"(2E)-2-(3-oxoindolin-2-ylidene)indolin-3-one","IUPAC Name CAS-like Style":"(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one","IUPAC Name Markup":"(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one","IUPAC Name Preferred":"(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one","IUPAC Name Systematic":"(2E)-2-(3-oxidanylidene-1H-indol-2-ylidene)-1H-indol-3-one","IUPAC Name Traditional":"(2E)-2-(3-ketoindolin-2-ylidene)pseudoindoxyl",InChI:"1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+",InChIKey:"COHYTHOBJLSHDF-BUHFOSPRSA-N","Log P":3.7,"Exact Mass":262.07422757,"Molecular Formula":"C16H10N2O2","Molecular Weight":262.26,"Monoisotopic Mass":262.07422757,Charge:0,"Easy Name":"Indigo dye","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C16H10N2O2"},5318659:{PUBCHEM:{CID:"5318659","Compound Complexity":619,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":7,"Rotatable Bond":6,"IUPAC Name Allowed":"(E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name CAS-like Style":"(E)-1-[2,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one","IUPAC Name Markup":"(E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name Preferred":"(E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name Systematic":"(E)-1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name Traditional":"(E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one",InChI:"1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1",InChIKey:"WQCWELFQKXIPCN-JSYAWONVSA-N","Log P":1.4,"Exact Mass":434.12129691,"Molecular Formula":"C21H22O10","Molecular Weight":434.4,"Monoisotopic Mass":434.12129691,Charge:0,"Easy Name":"Isosalipurposide","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H22O10"},5318988:{PUBCHEM:{CID:"5318988","Compound Complexity":365,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"(9E,11E,13E)-4-oxooctadeca-9,11,13-trienoic acid","IUPAC Name CAS-like Style":"(9E,11E,13E)-4-oxooctadeca-9,11,13-trienoic acid","IUPAC Name Markup":"(9E,11E,13E)-4-oxooctadeca-9,11,13-trienoic acid","IUPAC Name Preferred":"(9E,11E,13E)-4-oxooctadeca-9,11,13-trienoic acid","IUPAC Name Systematic":"(9E,11E,13E)-4-oxidanylideneoctadeca-9,11,13-trienoic acid","IUPAC Name Traditional":"(9E,11E,13E)-4-ketooctadeca-9,11,13-trienoic acid",InChI:"1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h5-10H,2-4,11-16H2,1H3,(H,20,21)/b6-5+,8-7+,10-9+",InChIKey:"DTRGDWOPRCXRET-SUTYWZMXSA-N","Log P":4.4,"Exact Mass":292.20384476,"Molecular Formula":"C18H28O3","Molecular Weight":292.4,"Monoisotopic Mass":292.20384476,Charge:0,"Easy Name":"Licanic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C18H28O3"},5318998:{PUBCHEM:{CID:"5318998","Compound Complexity":488,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"(E)-3-[5-(1,1-dimethylallyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name CAS-like Style":"(E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)-2-propen-1-one","IUPAC Name Markup":"(E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name Preferred":"(E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","IUPAC Name Systematic":"(E)-1-(4-hydroxyphenyl)-3-[2-methoxy-5-(2-methylbut-3-en-2-yl)-4-oxidanyl-phenyl]prop-2-en-1-one","IUPAC Name Traditional":"(E)-3-[5-(1,1-dimethylallyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one",InChI:"1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+",InChIKey:"KAZSKMJFUPEHHW-DHZHZOJOSA-N","Log P":4.9,"Exact Mass":338.15180919,"Molecular Formula":"C21H22O4","Molecular Weight":338.4,"Monoisotopic Mass":338.15180919,Charge:0,"Easy Name":"Licochalcone A","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C21H22O4"},5319264:{PUBCHEM:{CID:"5319264","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3S,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6-/m1/s1",InChIKey:"WQZGKKKJIJFFOK-QBFJYBIGSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Talopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},5320315:{PUBCHEM:{CID:"5320315","Compound Complexity":426,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"5,7-dihydroxy-6-methoxy-2-phenyl-chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-6-methoxy-2-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one","IUPAC Name Systematic":"6-methoxy-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-6-methoxy-2-phenyl-chromone",InChI:"1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3",InChIKey:"LKOJGSWUMISDOF-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":"Oroxylin A","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C16H12O5"},5320360:{PUBCHEM:{CID:"5320360","Compound Complexity":263,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane","IUPAC Name CAS-like Style":"(1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane","IUPAC Name Markup":"(1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane","IUPAC Name Preferred":"(1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane","IUPAC Name Systematic":"(1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane","IUPAC Name Traditional":"(1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane",InChI:"1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14+,15?/m0/s1",InChIKey:"SLRCCWJSBJZJBV-RDGKXADDSA-N","Log P":2.5,"Exact Mass":234.20959885,"Molecular Formula":"C15H26N2","Molecular Weight":234.38,"Monoisotopic Mass":234.20959885,Charge:0,"Easy Name":"Pachycarpine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C15H26N2"},5320844:{PUBCHEM:{CID:"5320844","Compound Complexity":758,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":8,"Rotatable Bond":4,"IUPAC Name Allowed":"3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-4-one","IUPAC Name CAS-like Style":"3,5,7-trihydroxy-2-[3-hydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one","IUPAC Name Markup":"3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one","IUPAC Name Preferred":"3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one","IUPAC Name Systematic":"2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-phenyl]-3,5,7-tris(oxidanyl)chromen-4-one","IUPAC Name Traditional":"3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]chromone",InChI:"1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",InChIKey:"OIUBYZLTFSLSBY-HMGRVEAOSA-N","Log P":.4,"Exact Mass":464.09547608,"Molecular Formula":"C21H20O12","Molecular Weight":464.4,"Monoisotopic Mass":464.09547608,Charge:0,"Easy Name":"Spiraeoside","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H20O12"},5320945:{PUBCHEM:{CID:"5320945","Compound Complexity":517,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromen-4-one","IUPAC Name CAS-like Style":"3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1-benzopyran-4-one","IUPAC Name Markup":"3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one","IUPAC Name Preferred":"3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one","IUPAC Name Systematic":"7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromone",InChI:"1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3",InChIKey:"MYMGKIQXYXSRIJ-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":330.07395279,"Molecular Formula":"C17H14O7","Molecular Weight":330.29,"Monoisotopic Mass":330.07395279,Charge:0,"Easy Name":"Rhamnazin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C17H14O7"},5321085:{PUBCHEM:{CID:"5321085","Compound Complexity":623,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":6,"Rotatable Bond":4,"IUPAC Name Allowed":"7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one","IUPAC Name CAS-like Style":"7-hydroxy-2-(4-hydroxyphenyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one","IUPAC Name Markup":"7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","IUPAC Name Preferred":"7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","IUPAC Name Systematic":"5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-oxidanyl-2,3-dihydrochromen-4-one","IUPAC Name Traditional":"7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one",InChI:"1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13?,16-,18-,19+,20-,21-/m1/s1",InChIKey:"MFQIWHVVFBCURA-LKBAIHPRSA-N","Log P":0,"Exact Mass":434.12129691,"Molecular Formula":"C21H22O10","Molecular Weight":434.4,"Monoisotopic Mass":434.12129691,Charge:0,"Easy Name":"Salipurposide","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H22O10"},5321255:{PUBCHEM:{CID:"5321255","Compound Complexity":984,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":6,"Rotatable Bond":3,"IUPAC Name Allowed":"9-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name CAS-like Style":"9-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name Markup":"9-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name Preferred":"9-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name Systematic":"9-[2-(hydroxymethyl)-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracene-2-carboxylic acid","IUPAC Name Traditional":"9-(4,5-dihydroxy-10-keto-2-methylol-9H-anthracen-9-yl)-4,5-dihydroxy-10-keto-9H-anthracene-2-carboxylic acid",InChI:"1S/C30H20O9/c31-11-12-7-16-22(14-3-1-5-18(32)24(14)28(36)26(16)20(34)8-12)23-15-4-2-6-19(33)25(15)29(37)27-17(23)9-13(30(38)39)10-21(27)35/h1-10,22-23,31-35H,11H2,(H,38,39)",InChIKey:"PXSKWUOTHDALDG-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":524.11073222,"Molecular Formula":"C30H20O9","Molecular Weight":524.5,"Monoisotopic Mass":524.11073222,Charge:0,"Easy Name":"Sennidin C","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C30H20O9"},5321393:{PUBCHEM:{CID:"5321393","Compound Complexity":748,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":9,"IUPAC Name Allowed":"(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","IUPAC Name CAS-like Style":"(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2-propen-1-one","IUPAC Name Markup":"(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","IUPAC Name Preferred":"(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","IUPAC Name Systematic":"(E)-3-[3,5-bis(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-1-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]prop-2-en-1-one","IUPAC Name Traditional":"(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one",InChI:"1S/C30H36O4/c1-19(2)7-11-23-17-22(18-24(29(23)33)12-8-20(3)4)10-15-27(31)26-14-16-28(32)25(30(26)34)13-9-21(5)6/h7-10,14-18,32-34H,11-13H2,1-6H3/b15-10+",InChIKey:"YAPAFDNQABLIIN-XNTDXEJSSA-N","Log P":9,"Exact Mass":460.26135964,"Molecular Formula":"C30H36O4","Molecular Weight":460.6,"Monoisotopic Mass":460.26135964,Charge:0,"Easy Name":"Sophoradin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C30H36O4"},5321954:{PUBCHEM:{CID:"5321954","Compound Complexity":690,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"5-hydroxy-2-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one","IUPAC Name Traditional":"5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",InChIKey:"NLZCOTZRUWYPTP-MIUGBVLSSA-N","Log P":.3,"Exact Mass":446.12129691,"Molecular Formula":"C22H22O10","Molecular Weight":446.4,"Monoisotopic Mass":446.12129691,Charge:0,"Easy Name":"Tilianin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C22H22O10"},5322095:{PUBCHEM:{CID:"5322095","Compound Complexity":1130,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":50,"IUPAC Name Allowed":"2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate","IUPAC Name CAS-like Style":"(9Z,12Z)-octadeca-9,12-dienoic acid 2,3-bis[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl ester","IUPAC Name Markup":"2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate","IUPAC Name Preferred":"2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate","IUPAC Name Systematic":"2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate","IUPAC Name Traditional":"(9Z,12Z)-octadeca-9,12-dienoic acid 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl ester",InChI:"1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-",InChIKey:"HBOQXIRUPVQLKX-BBWANDEASA-N","Log P":20.3,"Exact Mass":878.73634088,"Molecular Formula":"C57H98O6","Molecular Weight":879.4,"Monoisotopic Mass":878.73634088,Charge:0,"Easy Name":"Linolein","Easy Category":"Triglyceride"},HSDB:{},ReducedFormula:"C57H98O6"},5323606:{PUBCHEM:{CID:"5323606","Compound Complexity":102,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Hex-3-ynal","IUPAC Name CAS-like Style":"3-hexynal","IUPAC Name Markup":"Hex-3-ynal","IUPAC Name Preferred":"Hex-3-ynal","IUPAC Name Systematic":"Hex-3-ynal","IUPAC Name Traditional":"Hex-3-ynal",InChI:"1S/C6H8O/c1-2-3-4-5-6-7/h6H,2,5H2,1H3",InChIKey:"SVLWJKVZOYJHOY-UHFFFAOYSA-N","Log P":.9,"Exact Mass":96.057514878,"Molecular Formula":"C6H8O","Molecular Weight":96.13,"Monoisotopic Mass":96.057514878,Charge:0,"Easy Name":"3-hexynal","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C6H8O1"},5323784:{PUBCHEM:{CID:"5323784","Compound Complexity":119,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"N-[(Z)-1-methyl-2-nitroso-prop-1-enyl]hydroxylamine","IUPAC Name CAS-like Style":"N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine","IUPAC Name Markup":"N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine","IUPAC Name Preferred":"N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine","IUPAC Name Systematic":"N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine","IUPAC Name Traditional":"N-[(Z)-1-methyl-2-nitroso-prop-1-enyl]hydroxylamine",InChI:"1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h5,7H,1-2H3/b4-3-",InChIKey:"OFZZNQXYRRSXOI-ARJAWSKDSA-N","Log P":.7,"Exact Mass":116.058577506,"Molecular Formula":"C4H8N2O2","Molecular Weight":116.12,"Monoisotopic Mass":116.058577506,Charge:0,"Easy Name":"Dimethylglyoxime","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C4H8N2O2"},5326160:{PUBCHEM:{CID:"5326160","Compound Complexity":27,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(Z)-pent-2-ene","IUPAC Name CAS-like Style":"(Z)-2-pentene","IUPAC Name Markup":"(Z)-pent-2-ene","IUPAC Name Preferred":"(Z)-pent-2-ene","IUPAC Name Systematic":"(Z)-pent-2-ene","IUPAC Name Traditional":"(Z)-pent-2-ene",InChI:"1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-",InChIKey:"QMMOXUPEWRXHJS-HYXAFXHYSA-N","Log P":2.1,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"Cis-2-Pentene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"36.9 °C"},"Color And Form":{Value:"Liquid"},Density:{Value:"0.6556 @ 20 °C/4 °C"},"Melting Point":{Value:"-151.4 °C"},"NFPA Hazard Classification":{Value:"0-4-0"},"Refractive Index":{Value:"Index of refraction: 1.3830 °C/D"},Solubility:{Value:"In water, 203 mg/l @ 25 °C"},Uses:{Value:"Polymerization inhibitor; organic synthesis /2-Pentene/"},"Vapor Density":{Value:"2.4 (Air= 1)"},"Vapor Pressure":{Value:"4.95X10+2 mm Hg @ 25 °C"}},ReducedFormula:"C5H10"},5326161:{PUBCHEM:{CID:"5326161","Compound Complexity":27,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(E)-pent-2-ene","IUPAC Name CAS-like Style":"(E)-2-pentene","IUPAC Name Markup":"(E)-pent-2-ene","IUPAC Name Preferred":"(E)-pent-2-ene","IUPAC Name Systematic":"(E)-pent-2-ene","IUPAC Name Traditional":"(E)-pent-2-ene",InChI:"1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+",InChIKey:"QMMOXUPEWRXHJS-HWKANZROSA-N","Log P":2.1,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"Trans-2-Pentene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"36.3 °C"},"Color And Form":{Value:"Liquid"},Density:{Value:"0.6431 @ 25 °C/4 °C"},"Melting Point":{Value:"-140.2 °C"},"NFPA Hazard Classification":{Value:"0-4-0"},"Refractive Index":{Value:"Index of refraction: 1.3793 @ 20 °C/D"},Solubility:{Value:"Soluble in benzene; miscible in ethanol, ethyl ether"},Uses:{Value:"Polymerization inhibitor; organic synth /2-Pentene/"},"Vapor Density":{Value:"2.4 (Air= 1)"},"Vapor Pressure":{Value:"5.06X10+2 mm Hg @ 25 °C"}},ReducedFormula:"C5H10"},5351620:{PUBCHEM:{CID:"5351620","Compound Complexity":891,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Sodium;(4Z)-4-[(1-hydroxy-2-naphthyl)hydrazono]-7-nitro-3-oxo-naphthalene-1-sulfonate","IUPAC Name CAS-like Style":"Sodium;(4Z)-4-[(1-hydroxy-2-naphthalenyl)hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonate","IUPAC Name Markup":"Sodium;(4Z)-4-[(1-hydroxynaphthalen-2-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonate","IUPAC Name Preferred":"Sodium;(4Z)-4-[(1-hydroxynaphthalen-2-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonate","IUPAC Name Systematic":"Sodium;(4Z)-7-nitro-3-oxidanylidene-4-[(1-oxidanylnaphthalen-2-yl)hydrazinylidene]naphthalene-1-sulfonate","IUPAC Name Traditional":"Sodium;(4Z)-4-[(1-hydroxy-2-naphthyl)hydrazono]-3-keto-7-nitro-naphthalene-1-sulfonate",InChI:"1S/C20H13N3O7S.Na/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25;/h1-10,21,25H,(H,28,29,30);/q;+1/p-1/b22-19-;",InChIKey:"JHUJLRKQZAPSDP-GXTSIBQPSA-M","Exact Mass":461.02936519,"Molecular Formula":"C20H12N3NaO7S","Molecular Weight":461.4,"Monoisotopic Mass":461.02936519,Charge:0,"Easy Name":"Eriochrome Black T","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C20H12N3Na1O7S1"},5352425:{PUBCHEM:{CID:"5352425","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lead","IUPAC Name CAS-like Style":"Lead","IUPAC Name Markup":"Lead","IUPAC Name Preferred":"Lead","IUPAC Name Systematic":"Lead","IUPAC Name Traditional":"Lead",InChI:"1S/Pb",InChIKey:"WABPQHHGFIMREM-UHFFFAOYSA-N","Exact Mass":207.97665,"Molecular Formula":"Pb","Molecular Weight":207,"Monoisotopic Mass":207.97665,Charge:0,"Easy Name":"Lead","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1740 °C"},"Color And Form":{Value:"Bluish-white, silvery, gray metal. Highly lustrous when freshly cut, tarnishes upon exposure to air. Cubic crystal structure."},Density:{Value:"11.34 at 20 °C/4 °C"},"Heat Of Vaporization":{Value:"206 cal/g at 1740 °C"},"Melting Point":{Value:"327.4 °C"},Odor:{Value:"None"},Solubility:{Value:"Insoluble in water but dissolves slowly in water containing a weak acid; soluble in dilute nitric acid"},Taste:{Value:"Can not taste lead in water"},Uses:{Value:"Uses of lead in descending order of predominance: batteries; pigments and other compounds; rolled and extruded products; alloys; shot/ammunition; cable sheathing; gasoline additives. /From table/"},"Vapor Pressure":{Value:"1.77 mm Hg at 1000 °C"},Viscosity:{Value:"Viscosity of molten lead: 3.2 cP at 327.4 °C; 2.32 cP at 400 °C; 1.54 cP at 600 °C; 1.23 cP at 800 °C"}},ReducedFormula:"Pb1"},5352426:{PUBCHEM:{CID:"5352426","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tin","IUPAC Name CAS-like Style":"Tin","IUPAC Name Markup":"Tin","IUPAC Name Preferred":"Tin","IUPAC Name Systematic":"Tin","IUPAC Name Traditional":"Tin",InChI:"1S/Sn",InChIKey:"ATJFFYVFTNAWJD-UHFFFAOYSA-N","Exact Mass":119.902202,"Molecular Formula":"Sn","Molecular Weight":118.71,"Monoisotopic Mass":119.902202,Charge:0,"Easy Name":"Tin","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2507 °C"},"Color And Form":{Value:"Cubic (gray); tetragonal (white); rhomboidal (tin brittle)"},Density:{Value:"7.265 (white); 5.769 (gray)"},"Heat Of Vaporization":{Value:"296.4 kJ/mol"},"Melting Point":{Value:"231.9 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"SOL IN HYDROCHLORIC ACID, SULFURIC ACID, AQUA REGIA, ALKALI; SLIGHTLY SOL IN DIL NITRIC ACID; INSOL IN WATER"},Uses:{Value:"Tin plate, terneplate, Babbitt metal, pewter, bronze, corrosion-resistant coatings, collapsible tubes, anodes for electron plating, hot-dipped coatings, cladding, solders, low-melting alloys for fire control, organ pipes, dental amalgam, diecasting. White, type, and casting metal. Manufacture of chemicals, tinned wire (all copper wire that is to be rubber covered). Block tin is used to coat copper cooking utensils and lead sheet, or to line lead pipe for distilled water, beer, carbonated beverages, and some chemicals."},"Vapor Pressure":{Value:"1 Pa @ 1224 °C"},Viscosity:{Value:"1.85 mPa-s (=cP)@ 240 °C (MP)"}},ReducedFormula:"Sn1"},5352447:{PUBCHEM:{CID:"5352447","Compound Complexity":60.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-3-methylhex-3-ene","IUPAC Name CAS-like Style":"(E)-3-methyl-3-hexene","IUPAC Name Markup":"(E)-3-methylhex-3-ene","IUPAC Name Preferred":"(E)-3-methylhex-3-ene","IUPAC Name Systematic":"(E)-3-methylhex-3-ene","IUPAC Name Traditional":"(E)-3-methylhex-3-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h6H,4-5H2,1-3H3/b7-6+",InChIKey:"FHHSSXNRVNXTBG-VOTSOKGWSA-N","Log P":3.2,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":" (E)-3-Methyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5352548:{PUBCHEM:{CID:"5352548","Compound Complexity":51.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-2-methylhex-3-ene","IUPAC Name CAS-like Style":"(E)-2-methyl-3-hexene","IUPAC Name Markup":"(E)-2-methylhex-3-ene","IUPAC Name Preferred":"(E)-2-methylhex-3-ene","IUPAC Name Systematic":"(E)-2-methylhex-3-ene","IUPAC Name Traditional":"(E)-2-methylhex-3-ene",InChI:"1S/C7H14/c1-4-5-6-7(2)3/h5-7H,4H2,1-3H3/b6-5+",InChIKey:"IQANHWBWTVLDTP-AATRIKPKSA-N","Log P":2.9,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"Trans-2-Methyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5352660:{PUBCHEM:{CID:"5352660","Compound Complexity":60.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-3-methylhex-2-ene","IUPAC Name CAS-like Style":"(E)-3-methyl-2-hexene","IUPAC Name Markup":"(E)-3-methylhex-2-ene","IUPAC Name Preferred":"(E)-3-methylhex-2-ene","IUPAC Name Systematic":"(E)-3-methylhex-2-ene","IUPAC Name Traditional":"(E)-3-methylhex-2-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3/b7-5+",InChIKey:"JZMUUSXQSKCZNO-FNORWQNLSA-N","Log P":3.3,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":" (2E)-3-Methyl-2-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5352755:{PUBCHEM:{CID:"5352755","Compound Complexity":80,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"(3E)-nona-1,3-diene","IUPAC Name CAS-like Style":"(3E)-nona-1,3-diene","IUPAC Name Markup":"(3E)-nona-1,3-diene","IUPAC Name Preferred":"(3E)-nona-1,3-diene","IUPAC Name Systematic":"(3E)-nona-1,3-diene","IUPAC Name Traditional":"(3E)-nona-1,3-diene",InChI:"1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7H,1,4,6,8-9H2,2H3/b7-5+",InChIKey:"CLNYHERYALISIR-FNORWQNLSA-N","Log P":4.1,"Exact Mass":124.12520052,"Molecular Formula":"C9H16","Molecular Weight":124.22,"Monoisotopic Mass":124.12520052,Charge:0,"Easy Name":" (3E)-1, 3-Nonadiene","Easy Category":"Diene"},HSDB:{},ReducedFormula:"C9H16"},5353448:{PUBCHEM:{CID:"5353448","Compound Complexity":1910,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(21Z)-12-hydroxy-14-[2-(hydroxymethyl)allyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one","IUPAC Name CAS-like Style":"(21Z)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one","IUPAC Name Markup":"(21Z)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one","IUPAC Name Preferred":"(21Z)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one","IUPAC Name Systematic":"(21Z)-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-12-oxidanyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one","IUPAC Name Traditional":"(21Z)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-14-(2-methylolallyl)-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one",InChI:"1S/C50H72O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,26,28-42,44-45,51-52H,1,11-15,17-24H2,2-8H3/b10-9-",InChIKey:"BKMHDYJRAAJTAD-KTKRTIGZSA-N","Log P":3.8,"Exact Mass":896.492207,"Molecular Formula":"C50H72O14","Molecular Weight":897.1,"Monoisotopic Mass":896.492207,Charge:0,"Easy Name":"Brevetoxin-3","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C50H72O14"},5353758:{PUBCHEM:{CID:"5353758","Compound Complexity":147,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate","IUPAC Name CAS-like Style":"(1E)-N-(methylcarbamoyloxy)ethanimidothioic acid methyl ester","IUPAC Name Markup":"Methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate","IUPAC Name Preferred":"Methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate","IUPAC Name Systematic":"Methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate","IUPAC Name Traditional":"(1E)-N-(methylcarbamoyloxy)thioacetimidic acid methyl ester",InChI:"1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+",InChIKey:"UHXUZOCRWCRNSJ-QPJJXVBHSA-N","Log P":.6,"Exact Mass":162.04629874,"Molecular Formula":"C5H10N2O2S","Molecular Weight":162.21,"Monoisotopic Mass":162.04629874,Charge:0,"Easy Name":"Methomyl","Easy Category":"Insecticide"},HSDB:{"Color And Form":{Value:"White crystalline solid"},Density:{Value:"1.2946 @ 24 °C referred to water @ 4 °C"},"Melting Point":{Value:"78-79 °C"},Odor:{Value:"Slightly sulfurous"},Solubility:{Value:"Sol at 25 °C in wt/wt percent: water 5.8; ethanol 42; methanol 100; isopropanol 22; acetone 73"},Uses:{Value:"For Methomyl (USEPA/OPP Pesticide Code: 090301) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"5.4X10-6 mm Hg @ 25 °C"}},ReducedFormula:"C5H10N2O2S1"},5353911:{PUBCHEM:{CID:"5353911","Compound Complexity":454,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxychromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxychromen-4-one","IUPAC Name Systematic":"3-(4-hydroxyphenyl)-8-methoxy-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-chromone",InChI:"1S/C16H12O6/c1-21-15-12(19)6-11(18)13-14(20)10(7-22-16(13)15)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3",InChIKey:"UYLQOGTYNFVQQX-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":300.0633881,"Molecular Formula":"C16H12O6","Molecular Weight":300.26,"Monoisotopic Mass":300.0633881,Charge:0,"Easy Name":"Psi-tectorigenin","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C16H12O6"},5354373:{PUBCHEM:{CID:"5354373","Compound Complexity":233,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"(Z)-dodec-2-enedioic acid","IUPAC Name CAS-like Style":"(Z)-2-dodecenedioic acid","IUPAC Name Markup":"(Z)-dodec-2-enedioic acid","IUPAC Name Preferred":"(Z)-dodec-2-enedioic acid","IUPAC Name Systematic":"(Z)-dodec-2-enedioic acid","IUPAC Name Traditional":"(Z)-dodec-2-enedioic acid",InChI:"1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7-",InChIKey:"MAZWDMBCPDUFDJ-CLFYSBASSA-N","Log P":3,"Exact Mass":228.13615912,"Molecular Formula":"C12H20O4","Molecular Weight":228.28,"Monoisotopic Mass":228.13615912,Charge:0,"Easy Name":"Cis-traumatic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H20O4"},5354495:{PUBCHEM:{CID:"5354495","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Antimony","IUPAC Name CAS-like Style":"Antimony","IUPAC Name Markup":"Antimony","IUPAC Name Preferred":"Antimony","IUPAC Name Systematic":"Antimony","IUPAC Name Traditional":"Antimony",InChI:"1S/Sb",InChIKey:"WATWJIUSRGPENY-UHFFFAOYSA-N","Exact Mass":120.90381,"Molecular Formula":"Sb","Molecular Weight":121.76,"Monoisotopic Mass":120.90381,Charge:0,"Easy Name":"Antimony","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1587 °C"},"Color And Form":{Value:"Silver metal; hexagonal (gray antimony); black amorphous solid (black antimony)"},Density:{Value:"6.68 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"195,250 J/mol (latent heat)"},"Melting Point":{Value:"630.028 °C (gray antimony); trans gray 0 (black antimony)"},Solubility:{Value:"Insoluble in water"},Uses:{Value:"In manufacture of alloys, such as Britannia or Babbitt metal, hard lead, white metal, type, bullets and bearing metal; in fireworks; for thermoelectric piles, blackening iron, coating metals. etc."},"Vapor Pressure":{Value:"1 mm Hg at 886 °C"}},ReducedFormula:"Sb1"},5354618:{PUBCHEM:{CID:"5354618","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium","IUPAC Name CAS-like Style":"Cesium","IUPAC Name Markup":"Cesium","IUPAC Name Preferred":"Cesium","IUPAC Name Systematic":"Cesium","IUPAC Name Traditional":"Cesium",InChI:"1S/Cs",InChIKey:"TVFDJXOCXUVLDH-UHFFFAOYSA-N","Exact Mass":132.90545196,"Molecular Formula":"Cs","Molecular Weight":132.905452,"Monoisotopic Mass":132.90545196,Charge:0,"Easy Name":"Caesium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"685 °C"},"Color And Form":{Value:"Silvery white, soft, ductile metal"},Density:{Value:"1892 kg/cu m (solid at 17 °C); 1827 kg/cu m (liquid at 40 °C)"},"Heat Of Vaporization":{Value:"65.9 J/mol at 0.1 MPa"},"Melting Point":{Value:"29 °C"},Solubility:{Value:"Soluble in liquid ammonia"},Uses:{Value:"Carbon dioxide purification; ferrous and nonferrous metallurgy as a scavenger of gases and other impurities; magnetohydrodynamic power generation; ion engines."},"Vapor Pressure":{Value:"1.5X10-6 mm Hg at 25 °C (solid)"},Viscosity:{Value:"0.686 cP at melting point"}},ReducedFormula:"Cs1"},5355130:{PUBCHEM:{CID:"5355130","Compound Complexity":304,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":10,"IUPAC Name Allowed":"2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate","IUPAC Name CAS-like Style":"(E)-3-(4-methoxyphenyl)-2-propenoic acid 2-ethylhexyl ester","IUPAC Name Markup":"2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate","IUPAC Name Preferred":"2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate","IUPAC Name Systematic":"2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate","IUPAC Name Traditional":"(E)-3-(4-methoxyphenyl)acrylic acid 2-ethylhexyl ester",InChI:"1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+",InChIKey:"YBGZDTIWKVFICR-JLHYYAGUSA-N","Log P":5.3,"Exact Mass":290.1881947,"Molecular Formula":"C18H26O3","Molecular Weight":290.4,"Monoisotopic Mass":290.1881947,Charge:0,"Easy Name":"Octyl methoxycinnamate","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Boiling Point":{Value:"382 °C at 760 mm Hg"},"Color And Form":{Value:"Pale yellow liquid"},Density:{Value:"Specific gravity = 1.01 - 1.02"},"Melting Point":{Value:"-68.3 °C using OECD Guideline 102 (Melting point/Melting Range)"},Odor:{Value:"Practically odorless"},Solubility:{Value:"In water, 0.22 to 0.75 mg/L at 21 °C; 0.041 mg/L at 24 °C and pH 7.1"},Uses:{Value:"For octinoxate (USEPA/OPP Pesticide Code: 088407) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.3X10-5 mm Hg at 25 °C (est)"}},ReducedFormula:"C18H26O3"},5355280:{PUBCHEM:{CID:"5355280","Compound Complexity":519,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2-(1H-quinolin-2-ylidene)indane-1,3-dione","IUPAC Name CAS-like Style":"2-(1H-quinolin-2-ylidene)indene-1,3-dione","IUPAC Name Markup":"2-(1H-quinolin-2-ylidene)indene-1,3-dione","IUPAC Name Preferred":"2-(1H-quinolin-2-ylidene)indene-1,3-dione","IUPAC Name Systematic":"2-(1H-quinolin-2-ylidene)indene-1,3-dione","IUPAC Name Traditional":"2-(1H-quinolin-2-ylidene)indane-1,3-quinone",InChI:"1S/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,19H",InChIKey:"NRANXTWANPHZAU-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":273.0789786,"Molecular Formula":"C18H11NO2","Molecular Weight":273.3,"Monoisotopic Mass":273.0789786,Charge:0,"Easy Name":"Quinoline Yellow SS","Easy Category":"Heterocyclic compounds (2 rings)"},HSDB:{},ReducedFormula:"C18H11N1O2"},5355457:{PUBCHEM:{CID:"5355457","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium","IUPAC Name CAS-like Style":"Barium","IUPAC Name Markup":"Barium","IUPAC Name Preferred":"Barium","IUPAC Name Systematic":"Barium","IUPAC Name Traditional":"Barium",InChI:"1S/Ba",InChIKey:"DSAJWYNOEDNPEQ-UHFFFAOYSA-N","Exact Mass":137.905247,"Molecular Formula":"Ba","Molecular Weight":137.33,"Monoisotopic Mass":137.905247,Charge:0,"Easy Name":"Barium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1897 °C"},"Color And Form":{Value:"Silvery-white, slightly lustrous, body-centered cubic structure"},Density:{Value:"3.62 g/cu cm"},"Melting Point":{Value:"727 °C"},"NFPA Hazard Classification":{Value:"1-4-3"},Solubility:{Value:"Reacts with water; slightly soluble in ethanol"},Uses:{Value:"Carrier for radium; deoxidizer for steel and other metals; alloys of barium with aluminum or magnesium are used as getters in vacuum systems and electronic tubes; emissions from (140)Ba contribute to fission products of uranium rods; emissions from (133)Ba and (137m)Ba are used as std in gamma-spectrometry."},"Vapor Pressure":{Value:"1 Pa, 638 °C; 10 Pa, 765 °C; 100 Pa, 912 °C; 1 kPa, 1115 °C; 10 kPa, 1413 °C; 100 kPa, 1897 °C"}},ReducedFormula:"Ba1"},5356421:{PUBCHEM:{CID:"5356421","Compound Complexity":299,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":14,"IUPAC Name Allowed":"(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid","IUPAC Name CAS-like Style":"(Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoic acid","IUPAC Name Markup":"(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid","IUPAC Name Preferred":"(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid","IUPAC Name Systematic":"(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid","IUPAC Name Traditional":"(Z)-11-(3-amyloxiran-2-yl)undec-9-enoic acid",InChI:"1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-",InChIKey:"CCPPLLJZDQAOHD-FLIBITNWSA-N","Log P":5.6,"Exact Mass":296.23514489,"Molecular Formula":"C18H32O3","Molecular Weight":296.4,"Monoisotopic Mass":296.23514489,Charge:0,"Easy Name":"Vernolic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C18H32O3"},5356785:{PUBCHEM:{CID:"5356785","Compound Complexity":149,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-stilbene","IUPAC Name CAS-like Style":"(Z)-stilbene","IUPAC Name Markup":"(Z)-stilbene","IUPAC Name Preferred":"(Z)-stilbene","IUPAC Name Systematic":"[(Z)-2-phenylethenyl]benzene","IUPAC Name Traditional":"(Z)-stilbene",InChI:"1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-",InChIKey:"PJANXHGTPQOBST-QXMHVHEDSA-N","Log P":4.8,"Exact Mass":180.09390039,"Molecular Formula":"C14H12","Molecular Weight":180.24,"Monoisotopic Mass":180.09390039,Charge:0,"Easy Name":" (Z)-Stilbene","Easy Category":"Aromatic hydrocarbons"},HSDB:{"Boiling Point":{Value:"135 DEG @ 10 MM HG"},"Color And Form":{Value:"LIQUID"},"Melting Point":{Value:"1 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.6188 @ 25 °C/D; MAX ABSORPTION (95% ETHANOL): 278 NM (E= 10,200)"},Solubility:{Value:"COMPLETELY SOL IN COLD ABSOLUTE ALCOHOL"},Uses:{Value:"RESEARCH CHEMICAL"}},ReducedFormula:"C14H12"},5356793:{PUBCHEM:{CID:"5356793","Compound Complexity":168,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(2E,4E)-hexa-2,4-dienedioic acid","IUPAC Name CAS-like Style":"(2E,4E)-hexa-2,4-dienedioic acid","IUPAC Name Markup":"(2E,4E)-hexa-2,4-dienedioic acid","IUPAC Name Preferred":"(2E,4E)-hexa-2,4-dienedioic acid","IUPAC Name Systematic":"(2E,4E)-hexa-2,4-dienedioic acid","IUPAC Name Traditional":"(2E,4E)-muconic acid",InChI:"1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+",InChIKey:"TXXHDPDFNKHHGW-ZPUQHVIOSA-N","Log P":.2,"Exact Mass":142.026608672,"Molecular Formula":"C6H6O4","Molecular Weight":142.11,"Monoisotopic Mass":142.026608672,Charge:0,"Easy Name":"Trans, trans-Muconic Acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H6O4"},5357248:{PUBCHEM:{CID:"5357248","Compound Complexity":60.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-3-methylhex-2-ene","IUPAC Name CAS-like Style":"(Z)-3-methyl-2-hexene","IUPAC Name Markup":"(Z)-3-methylhex-2-ene","IUPAC Name Preferred":"(Z)-3-methylhex-2-ene","IUPAC Name Systematic":"(Z)-3-methylhex-2-ene","IUPAC Name Traditional":"(Z)-3-methylhex-2-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3/b7-5-",InChIKey:"JZMUUSXQSKCZNO-ALCCZGGFSA-N","Log P":3.3,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":" (Z)-3-Methyl-2-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5357249:{PUBCHEM:{CID:"5357249","Compound Complexity":53.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-4-methylhex-2-ene","IUPAC Name CAS-like Style":"(E)-4-methyl-2-hexene","IUPAC Name Markup":"(E)-4-methylhex-2-ene","IUPAC Name Preferred":"(E)-4-methylhex-2-ene","IUPAC Name Systematic":"(E)-4-methylhex-2-ene","IUPAC Name Traditional":"(E)-4-methylhex-2-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+",InChIKey:"MBNDKEPQUVZHCM-GQCTYLIASA-N","Log P":3,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":" (E)-4-Methyl-2-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5357250:{PUBCHEM:{CID:"5357250","Compound Complexity":60.4,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-3-methylhex-3-ene","IUPAC Name CAS-like Style":"(Z)-3-methyl-3-hexene","IUPAC Name Markup":"(Z)-3-methylhex-3-ene","IUPAC Name Preferred":"(Z)-3-methylhex-3-ene","IUPAC Name Systematic":"(Z)-3-methylhex-3-ene","IUPAC Name Traditional":"(Z)-3-methylhex-3-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h6H,4-5H2,1-3H3/b7-6-",InChIKey:"FHHSSXNRVNXTBG-SREVYHEPSA-N","Log P":3.2,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":" (Z)-3-Methyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5357251:{PUBCHEM:{CID:"5357251","Compound Complexity":53.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-4-methylhex-2-ene","IUPAC Name CAS-like Style":"(Z)-4-methyl-2-hexene","IUPAC Name Markup":"(Z)-4-methylhex-2-ene","IUPAC Name Preferred":"(Z)-4-methylhex-2-ene","IUPAC Name Systematic":"(Z)-4-methylhex-2-ene","IUPAC Name Traditional":"(Z)-4-methylhex-2-ene",InChI:"1S/C7H14/c1-4-6-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4-",InChIKey:"MBNDKEPQUVZHCM-XQRVVYSFSA-N","Log P":3,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":" (Z)-4-Methyl-2-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5357252:{PUBCHEM:{CID:"5357252","Compound Complexity":51.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-5-methylhex-2-ene","IUPAC Name CAS-like Style":"(E)-5-methyl-2-hexene","IUPAC Name Markup":"(E)-5-methylhex-2-ene","IUPAC Name Preferred":"(E)-5-methylhex-2-ene","IUPAC Name Systematic":"(E)-5-methylhex-2-ene","IUPAC Name Traditional":"(E)-5-methylhex-2-ene",InChI:"1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+",InChIKey:"GHBKCPRDHLITSE-SNAWJCMRSA-N","Log P":2.9,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":" (E)-5-Methyl-2-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5357258:{PUBCHEM:{CID:"5357258","Compound Complexity":44,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(Z)-hept-3-ene","IUPAC Name CAS-like Style":"(Z)-3-heptene","IUPAC Name Markup":"(Z)-hept-3-ene","IUPAC Name Preferred":"(Z)-hept-3-ene","IUPAC Name Systematic":"(Z)-hept-3-ene","IUPAC Name Traditional":"(Z)-hept-3-ene",InChI:"1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-",InChIKey:"WZHKDGJSXCTSCK-ALCCZGGFSA-N","Log P":3.1,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"Cis-3-Heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5357259:{PUBCHEM:{CID:"5357259","Compound Complexity":44,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(E)-hept-3-ene","IUPAC Name CAS-like Style":"(E)-3-heptene","IUPAC Name Markup":"(E)-hept-3-ene","IUPAC Name Preferred":"(E)-hept-3-ene","IUPAC Name Systematic":"(E)-hept-3-ene","IUPAC Name Traditional":"(E)-hept-3-ene",InChI:"1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+",InChIKey:"WZHKDGJSXCTSCK-FNORWQNLSA-N","Log P":3.1,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"Trans-3-Heptene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5357260:{PUBCHEM:{CID:"5357260","Compound Complexity":72.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-2,2-dimethylhex-3-ene","IUPAC Name CAS-like Style":"(Z)-2,2-dimethyl-3-hexene","IUPAC Name Markup":"(Z)-2,2-dimethylhex-3-ene","IUPAC Name Preferred":"(Z)-2,2-dimethylhex-3-ene","IUPAC Name Systematic":"(Z)-2,2-dimethylhex-3-ene","IUPAC Name Traditional":"(Z)-2,2-dimethylhex-3-ene",InChI:"1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-",InChIKey:"JPLZSSHKQZJYTJ-SREVYHEPSA-N","Log P":3.4,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"Cis-2, 2-Dimethyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},5357261:{PUBCHEM:{CID:"5357261","Compound Complexity":72.5,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-2,2-dimethylhex-3-ene","IUPAC Name CAS-like Style":"(E)-2,2-dimethyl-3-hexene","IUPAC Name Markup":"(E)-2,2-dimethylhex-3-ene","IUPAC Name Preferred":"(E)-2,2-dimethylhex-3-ene","IUPAC Name Systematic":"(E)-2,2-dimethylhex-3-ene","IUPAC Name Traditional":"(E)-2,2-dimethylhex-3-ene",InChI:"1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+",InChIKey:"JPLZSSHKQZJYTJ-VOTSOKGWSA-N","Log P":3.4,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"Trans-2, 2-Dimethyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},5357696:{PUBCHEM:{CID:"5357696","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium","IUPAC Name CAS-like Style":"Rubidium","IUPAC Name Markup":"Rubidium","IUPAC Name Preferred":"Rubidium","IUPAC Name Systematic":"Rubidium","IUPAC Name Traditional":"Rubidium",InChI:"1S/Rb",InChIKey:"IGLNJRXAVVLDKE-UHFFFAOYSA-N","Exact Mass":84.91178974,"Molecular Formula":"Rb","Molecular Weight":85.468,"Monoisotopic Mass":84.91178974,Charge:0,"Easy Name":"Rubidium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Rb1"},5358548:{PUBCHEM:{CID:"5358548","Compound Complexity":242,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(Z)-1,3-diphenylprop-2-en-1-one","IUPAC Name CAS-like Style":"(Z)-1,3-diphenyl-2-propen-1-one","IUPAC Name Markup":"(Z)-1,3-diphenylprop-2-en-1-one","IUPAC Name Preferred":"(Z)-1,3-diphenylprop-2-en-1-one","IUPAC Name Systematic":"(Z)-1,3-diphenylprop-2-en-1-one","IUPAC Name Traditional":"(Z)-1,3-diphenylprop-2-en-1-one",InChI:"1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11-",InChIKey:"DQFBYFPFKXHELB-QXMHVHEDSA-N","Log P":3.1,"Exact Mass":208.08881501,"Molecular Formula":"C15H12O","Molecular Weight":208.25,"Monoisotopic Mass":208.08881501,Charge:0,"Easy Name":"Cis-chalcone","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H12O1"},5359268:{PUBCHEM:{CID:"5359268","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum","IUPAC Name CAS-like Style":"Aluminum","IUPAC Name Markup":"Aluminum","IUPAC Name Preferred":"Aluminum","IUPAC Name Systematic":"Aluminum","IUPAC Name Traditional":"Aluminum",InChI:"1S/Al",InChIKey:"XAGFODPZIPBFFR-UHFFFAOYSA-N","Exact Mass":26.9815384,"Molecular Formula":"Al","Molecular Weight":26.981538,"Monoisotopic Mass":26.9815384,Charge:0,"Easy Name":"Aluminium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2327 °C"},"Color And Form":{Value:"Tin-white, malleable, ductile metal, with somewhat bluish tint"},Density:{Value:"2.70"},"Melting Point":{Value:"660 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Soluble in HCl, H2SO4, hot water, and alkalies."},Uses:{Value:'The active ingredient is no longer contained in any registered products ... "cancelled."'},"Vapor Pressure":{Value:"1 mm Hg at 1284 °C"}},ReducedFormula:"Al1"},5359275:{PUBCHEM:{CID:"5359275","Compound Complexity":402,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(1Z)-1-(2-pyridylhydrazono)naphthalen-2-one","IUPAC Name CAS-like Style":"(1Z)-1-(2-pyridinylhydrazinylidene)-2-naphthalenone","IUPAC Name Markup":"(1Z)-1-(pyridin-2-ylhydrazinylidene)naphthalen-2-one","IUPAC Name Preferred":"(1Z)-1-(pyridin-2-ylhydrazinylidene)naphthalen-2-one","IUPAC Name Systematic":"(1Z)-1-(pyridin-2-ylhydrazinylidene)naphthalen-2-one","IUPAC Name Traditional":"(1Z)-1-(2-pyridylhydrazono)naphthalen-2-one",InChI:"1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10H,(H,16,17)/b18-15-",InChIKey:"RAXUMGMWXZYADR-SDXDJHTJSA-N","Log P":2.9,"Exact Mass":249.09021199,"Molecular Formula":"C15H11N3O","Molecular Weight":249.27,"Monoisotopic Mass":249.09021199,Charge:0,"Easy Name":"PAN","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C15H11N3O1"},5359327:{PUBCHEM:{CID:"5359327","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium","IUPAC Name CAS-like Style":"Strontium","IUPAC Name Markup":"Strontium","IUPAC Name Preferred":"Strontium","IUPAC Name Systematic":"Strontium","IUPAC Name Traditional":"Strontium",InChI:"1S/Sr",InChIKey:"CIOAGBVUUVVLOB-UHFFFAOYSA-N","Exact Mass":87.90561226,"Molecular Formula":"Sr","Molecular Weight":87.6,"Monoisotopic Mass":87.90561226,Charge:0,"Easy Name":"Strontium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1390 °C"},"Color And Form":{Value:"Silvery white metal; face-centered cubic structure"},Density:{Value:"2.54 g/cu cm"},"Melting Point":{Value:"752 °C"},Solubility:{Value:"Soluble in alcohol and acids."},Uses:{Value:"In fireworks, in red signal flares; on tracer bullets. Eutectic modifier in Al-Ag casting alloys to improve strength and ductility. Innoculant in ductile iron casting to control graphite formation."},"Vapor Pressure":{Value:"4.99X10-11 Pa at 400 K; 0.000429 Pa at 600 K; 1.134 Pa at 800 K; 121 Pa at 1000 K"}},ReducedFormula:"Sr1"},5359367:{PUBCHEM:{CID:"5359367","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bismuth","IUPAC Name CAS-like Style":"Bismuth","IUPAC Name Markup":"Bismuth","IUPAC Name Preferred":"Bismuth","IUPAC Name Systematic":"Bismuth","IUPAC Name Traditional":"Bismuth",InChI:"1S/Bi",InChIKey:"JCXGWMGPZLAOME-UHFFFAOYSA-N","Exact Mass":208.9804,"Molecular Formula":"Bi","Molecular Weight":208.9804,"Monoisotopic Mass":208.9804,Charge:0,"Easy Name":"Bismuth","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1564 DEG +/-5 °C, 760 MM HG"},"Color And Form":{Value:"Gray white soft metal"},Density:{Value:"9.78 @ 20 °C/4 °C"},"Heat Of Vaporization":{Value:"178,632 J/mol"},"Melting Point":{Value:"271 °C"},Solubility:{Value:"INSOL IN COLD OR HOT WATER; SOL IN NITRIC ACID, AQUA REGIA, HOT SULFURIC ACID"},Uses:{Value:"IN SAFETY DEVICES IN FIRE DETECTION & EXTINGUISHING SYSTEMS; CATALYST FOR MAKING ACRYLIC FIBERS; IN PRODN OF MALLEABLE IRONS; CARRIER FOR RADIOACTIVE URANIUM FUEL IN ATOMIC REACTORS"},"Vapor Pressure":{Value:"78 mm Hg at 1266 °C; 7.8 mm at 1053 °C; 0.78 mm Hg at 893 °C"}},ReducedFormula:"Bi1"},5359464:{PUBCHEM:{CID:"5359464","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium","IUPAC Name CAS-like Style":"Thallium","IUPAC Name Markup":"Thallium","IUPAC Name Preferred":"Thallium","IUPAC Name Systematic":"Thallium","IUPAC Name Traditional":"Thallium",InChI:"1S/Tl",InChIKey:"BKVIYDNLLOSFOA-UHFFFAOYSA-N","Exact Mass":204.97443,"Molecular Formula":"Tl","Molecular Weight":204.383,"Monoisotopic Mass":204.97443,Charge:0,"Easy Name":"Thallium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1473 °C"},"Color And Form":{Value:"Bluish-white, very soft, inelastic, easily fusible, heavy metal"},Density:{Value:"11.8 g/cu cm"},"Heat Of Vaporization":{Value:"795 kJ/mol"},"Melting Point":{Value:"304 °C"},Solubility:{Value:"Insoluble in water; reacts with acid"},Uses:{Value:"Thallium-203 is a target for accelerator production of thalium-201, which is used in cardiac imaging."},"Vapor Pressure":{Value:"1 Pa at 609 °C; 10 Pa at 704 °C; 100 Pa at 824 °C; 1 kPa at 979 °C; 10 kPa at 1188 °C; 100 kPa at 1485 °C"}},ReducedFormula:"Tl1"},5359485:{PUBCHEM:{CID:"5359485","Compound Complexity":371,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"3,7,9-trihydroxy-1-methyl-benzo[c]chromen-6-one","IUPAC Name CAS-like Style":"3,7,9-trihydroxy-1-methyl-6-benzo[c][1]benzopyranone","IUPAC Name Markup":"3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one","IUPAC Name Preferred":"3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one","IUPAC Name Systematic":"1-methyl-3,7,9-tris(oxidanyl)benzo[c]chromen-6-one","IUPAC Name Traditional":"3,7,9-trihydroxy-1-methyl-benzo[c]chromen-6-one",InChI:"1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3",InChIKey:"CEBXXEKPIIDJHL-UHFFFAOYSA-N","Log P":2.9,"Exact Mass":258.05282342,"Molecular Formula":"C14H10O5","Molecular Weight":258.23,"Monoisotopic Mass":258.05282342,Charge:0,"Easy Name":"Alternariol","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C14H10O5"},5359521:{PUBCHEM:{CID:"5359521","Compound Complexity":1200,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Trisodium;(4Z)-3-oxo-4-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-2,7-disulfonate","IUPAC Name CAS-like Style":"Trisodium;(4Z)-3-oxo-4-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonate","IUPAC Name Markup":"Trisodium;(4Z)-3-oxo-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate","IUPAC Name Preferred":"Trisodium;(4Z)-3-oxo-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate","IUPAC Name Systematic":"Trisodium;(4Z)-3-oxidanylidene-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate","IUPAC Name Traditional":"Trisodium;(4Z)-3-keto-4-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-2,7-disulfonate",InChI:"1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-19-;;;",InChIKey:"VOBHRQFELWTZFS-AWLRYRRCSA-K","Exact Mass":603.92689093,"Molecular Formula":"C20H11N2Na3O10S3","Molecular Weight":604.5,"Monoisotopic Mass":603.92689093,Charge:0,"Easy Name":"Amaranth","Easy Category":"Food coloring"},HSDB:{},ReducedFormula:"C20H11N2Na3O10S3"},5359596:{PUBCHEM:{CID:"5359596","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Arsenic","IUPAC Name CAS-like Style":"Arsenic","IUPAC Name Markup":"Arsenic","IUPAC Name Preferred":"Arsenic","IUPAC Name Systematic":"Arsenic","IUPAC Name Traditional":"Arsenic",InChI:"1S/As",InChIKey:"RQNWIZPPADIBDY-UHFFFAOYSA-N","Exact Mass":74.921595,"Molecular Formula":"As","Molecular Weight":74.92159,"Monoisotopic Mass":74.921595,Charge:0,"Easy Name":"Arsenic","Easy Category":"Chemical element"},HSDB:{"Color And Form":{Value:"IT EXISTS IN THREE ALLOTROPIC FORMS, THE YELLOW (ALPHA), BLACK (BETA) AND GREY (GAMMA) FORMS"},"Critical Temperature And Pressure":{Value:"Critical temperature: 1673 deg K"},Density:{Value:"5.778 @ 25 °C"},"Heat Of Vaporization":{Value:"11.2 kcal/g-atom"},Odor:{Value:"... Odorless ..."},Solubility:{Value:"Insol in caustic and nonoxidizing acids"},Taste:{Value:"NEARLY TASTELESS"},Uses:{Value:"ALLOYING CONSTITUENT"},"Vapor Pressure":{Value:"7.5X10-3 mm Hg @ 280 °C; 7.5X10-2 @ 323 °C; 0.75 mm Hg @ 373 °C; 7.5 mm Hg @ 433 °C; 75 mm Hg @ 508 °C; 750 mm Hg @ 601 °C"}},ReducedFormula:"As1"},5359611:{PUBCHEM:{CID:"5359611","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxobismuth","IUPAC Name CAS-like Style":"Sulfanylidenebismuth","IUPAC Name Markup":"Sulfanylidenebismuth","IUPAC Name Preferred":"Sulfanylidenebismuth","IUPAC Name Systematic":"Sulfanylidenebismuth","IUPAC Name Traditional":"Thioxobismuth",InChI:"1S/Bi.S",InChIKey:"RBWFXUOHBJGAMO-UHFFFAOYSA-N","Exact Mass":240.95247,"Molecular Formula":"BiS","Molecular Weight":241.05,"Monoisotopic Mass":240.95247,Charge:0,"Easy Name":"Bismuth (II) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi1S1"},5359810:{PUBCHEM:{CID:"5359810","Compound Complexity":818,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Disodium;(5Z)-6-oxo-5-[(4-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate","IUPAC Name CAS-like Style":"Disodium;(5Z)-6-oxo-5-[(4-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate","IUPAC Name Markup":"Disodium;(5Z)-6-oxo-5-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate","IUPAC Name Preferred":"Disodium;(5Z)-6-oxo-5-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate","IUPAC Name Systematic":"Disodium;(5Z)-6-oxidanylidene-5-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate","IUPAC Name Traditional":"Disodium;(5Z)-6-keto-5-[(4-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate",InChI:"1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,17H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-16-;;",InChIKey:"TXVRKNUZLYFDTJ-KZYDBBBVSA-L","Exact Mass":451.97248158,"Molecular Formula":"C16H10N2Na2O7S2","Molecular Weight":452.4,"Monoisotopic Mass":451.97248158,Charge:0,"Easy Name":"Sunset Yellow FCF","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C16H10N2Na2O7S2"},5359967:{PUBCHEM:{CID:"5359967","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Indium","IUPAC Name CAS-like Style":"Indium","IUPAC Name Markup":"Indium","IUPAC Name Preferred":"Indium","IUPAC Name Systematic":"Indium","IUPAC Name Traditional":"Indium",InChI:"1S/In",InChIKey:"APFVFJFRJDLVQX-UHFFFAOYSA-N","Exact Mass":114.9038788,"Molecular Formula":"In","Molecular Weight":114.82,"Monoisotopic Mass":114.9038788,Charge:0,"Easy Name":"Indium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2072 °C"},"Color And Form":{Value:"Soft, white metal with bluish tinge. Ductile, malleable, softer than lead, leaves a mark on paper, crystalizes."},Density:{Value:"7.31 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"98.56 kJ/mol-K"},"Melting Point":{Value:"156.6 °C"},Solubility:{Value:"Insoluble in water in bulk form; soluble in most acids."},Uses:{Value:"Low-melting alloys, bearings, dental alloys, nuclear reactor control rods, low-pressure lamps, electrical contacts, alkaline dry batteries, phosphors, semiconductors (lasers, photodectors, integrated cirucits, CCDs in infra-red videos cameras), liquid crystal displays"},"Vapor Pressure":{Value:"1.14X10-19 Pa at melting point"}},ReducedFormula:"In1"},5359997:{PUBCHEM:{CID:"5359997","Compound Complexity":1350,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"Disodium;4-[(2Z)-2-[(5Z)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonato-1-naphthyl)hydrazono]cyclohex-2-en-1-ylidene]hydrazino]naphthalene-1-sulfonate","IUPAC Name CAS-like Style":"Disodium;4-[(2Z)-2-[(5Z)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]-1-cyclohex-2-enylidene]hydrazinyl]-1-naphthalenesulfonate","IUPAC Name Markup":"Disodium;4-[(2Z)-2-[(5Z)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate","IUPAC Name Preferred":"Disodium;4-[(2Z)-2-[(5Z)-3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate","IUPAC Name Systematic":"Disodium;4-[(2Z)-2-[(5Z)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate","IUPAC Name Traditional":"Disodium;4-[(N'Z)-N'-[(5Z)-4,6-diketo-3-methylol-5-[(4-sulfonato-1-naphthyl)hydrazono]cyclohex-2-en-1-ylidene]hydrazino]naphthalene-1-sulfonate",InChI:"1S/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,28-29,32H,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-22-,31-25-;;",InChIKey:"TUQJHVRCALPCHU-PBBNCPMRSA-L","Exact Mass":652.03105909,"Molecular Formula":"C27H18N4Na2O9S2","Molecular Weight":652.6,"Monoisotopic Mass":652.03105909,Charge:0,"Easy Name":"Brown HT","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C27H18N4Na2O9S2"},5360350:{PUBCHEM:{CID:"5360350","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dichloride","IUPAC Name CAS-like Style":"Barium(2+);dichloride","IUPAC Name Markup":"Barium(2+);dichloride","IUPAC Name Preferred":"Barium(2+);dichloride","IUPAC Name Systematic":"Barium(2+);dichloride","IUPAC Name Traditional":"Barium(2+);dichloride",InChI:"1S/Ba.2ClH/h;2*1H/q+2;;/p-2",InChIKey:"WDIHJSXYQDMJHN-UHFFFAOYSA-L","Exact Mass":207.842953,"Molecular Formula":"BaCl2","Molecular Weight":208.23,"Monoisotopic Mass":207.842953,Charge:0,"Easy Name":"Barium chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1Cl2"},5360352:{PUBCHEM:{CID:"5360352","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;diiodide","IUPAC Name CAS-like Style":"Strontium;diiodide","IUPAC Name Markup":"Strontium;diiodide","IUPAC Name Preferred":"Strontium;diiodide","IUPAC Name Systematic":"Strontium;diiodide","IUPAC Name Traditional":"Strontium;diiodide",InChI:"1S/2HI.Sr/h2*1H;/q;;+2/p-2",InChIKey:"KRIJWFBRWPCESA-UHFFFAOYSA-L","Exact Mass":341.71456,"Molecular Formula":"I2Sr","Molecular Weight":341.4,"Monoisotopic Mass":341.71456,Charge:0,"Easy Name":"Strontium iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I2Sr1"},5360515:{PUBCHEM:{CID:"5360515","Compound Complexity":621,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name CAS-like Style":"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Markup":"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Preferred":"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Systematic":"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(oxidanyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","IUPAC Name Traditional":"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",InChI:"1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1",InChIKey:"DQCKKXVULJGBQN-XFWGSAIBSA-N","Log P":1.9,"Exact Mass":341.16270822,"Molecular Formula":"C20H23NO4","Molecular Weight":341.4,"Monoisotopic Mass":341.16270822,Charge:0,"Easy Name":"Naltrexone","Easy Category":"Pharmaceutical drug"},HSDB:{"Color And Form":{Value:"Crystals from acetone"},"Melting Point":{Value:"169 °C"},Solubility:{Value:"In water, 6.67X10+2 mg/L at 25 °C (est)"},Uses:{Value:"Narcotic Antagonists"},"Vapor Pressure":{Value:"3.11X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C20H23N1O4"},5360523:{PUBCHEM:{CID:"5360523","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chlorine","IUPAC Name CAS-like Style":"Chlorine","IUPAC Name Markup":"Chlorine","IUPAC Name Preferred":"Chlorine","IUPAC Name Systematic":"Chlorine","IUPAC Name Traditional":"Chlorine",InChI:"1S/Cl",InChIKey:"ZAMOUSCENKQFHK-UHFFFAOYSA-N","Log P":.8,"Exact Mass":34.9688527,"Molecular Formula":"Cl","Molecular Weight":35.45,"Monoisotopic Mass":34.9688527,Charge:0,"Easy Name":"Chlorine","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Cl1"},5360525:{PUBCHEM:{CID:"5360525","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Fluorine","IUPAC Name CAS-like Style":"Fluorine","IUPAC Name Markup":"Fluorine","IUPAC Name Preferred":"Fluorine","IUPAC Name Systematic":"Fluorine","IUPAC Name Traditional":"Fluorine",InChI:"1S/F",InChIKey:"YCKRFDGAMUMZLT-UHFFFAOYSA-N","Log P":.6,"Exact Mass":18.998403163,"Molecular Formula":"F","Molecular Weight":18.99840316,"Monoisotopic Mass":18.998403163,Charge:0,"Easy Name":"Fluorine","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"F1"},5360545:{PUBCHEM:{CID:"5360545","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium","IUPAC Name CAS-like Style":"Sodium","IUPAC Name Markup":"Sodium","IUPAC Name Preferred":"Sodium","IUPAC Name Systematic":"Sodium","IUPAC Name Traditional":"Sodium",InChI:"1S/Na",InChIKey:"KEAYESYHFKHZAL-UHFFFAOYSA-N","Exact Mass":22.98976928,"Molecular Formula":"Na","Molecular Weight":22.9897693,"Monoisotopic Mass":22.98976928,Charge:0,"Easy Name":"Sodium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"881.4 °C"},"Color And Form":{Value:"Light, silvery-white metal; body-centered cubic structure; lustrous when freshly cut; tarnishes on exposure to air, becoming dull and gray; soft at ordinary temperature, fairly hard at -20 °C"},"Critical Temperature And Pressure":{Value:"Critical temperature 2508.7 K (2236 °C); critical pressure 25.64 MPa (1.92X10+5 mm Hg)"},Density:{Value:"0.968 g/cu cm at 20 °C"},"Heat Of Vaporization":{Value:"3.874X10+6 J/kg at boiling point"},"Melting Point":{Value:"97.82 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 4.22"},Solubility:{Value:"Insoluble in benzene, kerosene, naphtha"},Uses:{Value:"MFR OF SODIUM CMPD, SUCH AS CYANIDE, AZIDE, PEROXIDE, ETC; IN MFR OF TETRAETHYL LEAD; IN ORG SYNTHESES; FOR PHOTOELECTRIC CELLS; IN SODIUM LAMPS; ALLOYED WITH POTASSIUM IN HEAT TRANSFER MEDIA."},"Vapor Pressure":{Value:"0.000185 Pa (1.39X10-6 mm Hg) at 400 K (127 °C); 5.60 Pa (0.042 mm Hg) at 600 K (327 °C)"},Viscosity:{Value:"0.680 cP at 100 °C; 0.284 cP at 400 °C; 0.820 cP at 550 °C"}},ReducedFormula:"Na1"},5360629:{PUBCHEM:{CID:"5360629","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iodine","IUPAC Name CAS-like Style":"Iodine","IUPAC Name Markup":"Iodine","IUPAC Name Preferred":"Iodine","IUPAC Name Systematic":"Iodine","IUPAC Name Traditional":"Iodine",InChI:"1S/I",InChIKey:"ZCYVEMRRCGMTRW-UHFFFAOYSA-N","Log P":.9,"Exact Mass":126.90447,"Molecular Formula":"I","Molecular Weight":126.9045,"Monoisotopic Mass":126.90447,Charge:0,"Easy Name":"Iodine","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"I1"},5360770:{PUBCHEM:{CID:"5360770","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bromine","IUPAC Name CAS-like Style":"Bromine","IUPAC Name Markup":"Bromine","IUPAC Name Preferred":"Bromine","IUPAC Name Systematic":"Bromine","IUPAC Name Traditional":"Bromine",InChI:"1S/Br",InChIKey:"WKBOTKDWSSQWDR-UHFFFAOYSA-N","Log P":1,"Exact Mass":78.91834,"Molecular Formula":"Br","Molecular Weight":79.9,"Monoisotopic Mass":78.91834,Charge:0,"Easy Name":"Bromine","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Br1"},5360805:{PUBCHEM:{CID:"5360805","Compound Complexity":906,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Disodium;(5Z)-5-[(2-methoxy-5-methyl-4-sulfonato-phenyl)hydrazono]-6-oxo-naphthalene-2-sulfonate","IUPAC Name CAS-like Style":"Disodium;(5Z)-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)hydrazinylidene]-6-oxo-2-naphthalenesulfonate","IUPAC Name Markup":"Disodium;(5Z)-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate","IUPAC Name Preferred":"Disodium;(5Z)-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate","IUPAC Name Systematic":"Disodium;(5Z)-5-[(2-methoxy-5-methyl-4-sulfonato-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate","IUPAC Name Traditional":"Disodium;(5Z)-6-keto-5-[(2-methoxy-5-methyl-4-sulfonato-phenyl)hydrazono]naphthalene-2-sulfonate",InChI:"1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-18-;;",InChIKey:"POXPUHKJGLHZEM-DJOSVPKASA-L","Exact Mass":495.99869633,"Molecular Formula":"C18H14N2Na2O8S2","Molecular Weight":496.4,"Monoisotopic Mass":495.99869633,Charge:0,"Easy Name":"Allura Red AC","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C18H14N2Na2O8S2"},5360835:{PUBCHEM:{CID:"5360835","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gallium","IUPAC Name CAS-like Style":"Gallium","IUPAC Name Markup":"Gallium","IUPAC Name Preferred":"Gallium","IUPAC Name Systematic":"Gallium","IUPAC Name Traditional":"Gallium",InChI:"1S/Ga",InChIKey:"GYHNNYVSQQEPJS-UHFFFAOYSA-N","Exact Mass":68.92557,"Molecular Formula":"Ga","Molecular Weight":69.72,"Monoisotopic Mass":68.92557,Charge:0,"Easy Name":"Gallium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"Approx 2400 °C"},"Color And Form":{Value:"Grayish metal, possesses a greenish-blue reflection or silver-like when molten; has a crystalline ortho-rhombic texture"},Density:{Value:"6.0947 @ 29.8 °C (liquid); 5.9037 @ 29.65 °C (solid)"},"Heat Of Vaporization":{Value:"254 kJ/mol @ approx 2400 °C"},"Melting Point":{Value:"29.78 °C"},Solubility:{Value:"Sol in acid, alkali; slightly sol in mercury"},Uses:{Value:"The metal has no significant commercial uses; its compounds are used as semiconductors."},"Vapor Pressure":{Value:"1 Pa @ 1037 °C; 10 Pa @ 1175 °C; 100 Pa @ 1347 °C..."},Viscosity:{Value:"1.819 cP @ 32 °C (dynamic)"}},ReducedFormula:"Ga1"},5362487:{PUBCHEM:{CID:"5362487","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sulfur","IUPAC Name CAS-like Style":"Sulfur","IUPAC Name Markup":"Sulfur","IUPAC Name Preferred":"Sulfur","IUPAC Name Systematic":"Sulfur","IUPAC Name Traditional":"Sulfur",InChI:"1S/S",InChIKey:"NINIDFKCEFEMDL-UHFFFAOYSA-N","Log P":.5,"Exact Mass":31.97207117,"Molecular Formula":"S","Molecular Weight":32.07,"Monoisotopic Mass":31.97207117,Charge:0,"Easy Name":"Sulfur","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"S1"},5364290:{PUBCHEM:{CID:"5364290","Compound Complexity":19.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(Z)-difluorodiazene","IUPAC Name CAS-like Style":"(Z)-difluorodiazene","IUPAC Name Markup":"(Z)-difluorodiazene","IUPAC Name Preferred":"(Z)-difluorodiazene","IUPAC Name Systematic":"(Z)-bis(fluoranyl)diazene","IUPAC Name Traditional":"(Z)-difluorodiazene",InChI:"1S/F2N2/c1-3-4-2/b4-3-",InChIKey:"DUQAODNTUBJRGF-ARJAWSKDSA-N","Log P":1.4,"Exact Mass":66.00295433,"Molecular Formula":"F2N2","Molecular Weight":66.011,"Monoisotopic Mass":66.00295433,Charge:0,"Easy Name":" (Z)-difluorodiazene","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F2N2"},5364850:{PUBCHEM:{CID:"5364850","Compound Complexity":51.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-5-methylhex-2-ene","IUPAC Name CAS-like Style":"(Z)-5-methyl-2-hexene","IUPAC Name Markup":"(Z)-5-methylhex-2-ene","IUPAC Name Preferred":"(Z)-5-methylhex-2-ene","IUPAC Name Systematic":"(Z)-5-methylhex-2-ene","IUPAC Name Traditional":"(Z)-5-methylhex-2-ene",InChI:"1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4-",InChIKey:"GHBKCPRDHLITSE-PLNGDYQASA-N","Log P":2.9,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":" (2Z)-5-methylhex-2-ene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5365948:{PUBCHEM:{CID:"5365948","Compound Complexity":51.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-2-methylhex-3-ene","IUPAC Name CAS-like Style":"(Z)-2-methyl-3-hexene","IUPAC Name Markup":"(Z)-2-methylhex-3-ene","IUPAC Name Preferred":"(Z)-2-methylhex-3-ene","IUPAC Name Systematic":"(Z)-2-methylhex-3-ene","IUPAC Name Traditional":"(Z)-2-methylhex-3-ene",InChI:"1S/C7H14/c1-4-5-6-7(2)3/h5-7H,4H2,1-3H3/b6-5-",InChIKey:"IQANHWBWTVLDTP-WAYWQWQTSA-N","Log P":2.9,"Exact Mass":98.10955045,"Molecular Formula":"C7H14","Molecular Weight":98.19,"Monoisotopic Mass":98.10955045,Charge:0,"Easy Name":"Cis-2-Methyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C7H14"},5370328:{PUBCHEM:{CID:"5370328","Compound Complexity":147,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(Z)-pent-2-enedioic acid","IUPAC Name CAS-like Style":"(Z)-2-pentenedioic acid","IUPAC Name Markup":"(Z)-pent-2-enedioic acid","IUPAC Name Preferred":"(Z)-pent-2-enedioic acid","IUPAC Name Systematic":"(Z)-pent-2-enedioic acid","IUPAC Name Traditional":"(Z)-pent-2-enedioic acid",InChI:"1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1-",InChIKey:"XVOUMQNXTGKGMA-UPHRSURJSA-N","Log P":-.3,"Exact Mass":130.026608672,"Molecular Formula":"C5H6O4","Molecular Weight":130.1,"Monoisotopic Mass":130.026608672,Charge:0,"Easy Name":"Cis-Glutaconic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C5H6O4"},5370536:{PUBCHEM:{CID:"5370536","Compound Complexity":308,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid","IUPAC Name CAS-like Style":"(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid","IUPAC Name Markup":"(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid","IUPAC Name Preferred":"(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid","IUPAC Name Systematic":"(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid","IUPAC Name Traditional":"Piperinic acid",InChI:"1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+",InChIKey:"RHBGITBPARBDPH-ZPUQHVIOSA-N","Log P":2.7,"Exact Mass":218.0579088,"Molecular Formula":"C12H10O4","Molecular Weight":218.2,"Monoisotopic Mass":218.0579088,Charge:0,"Easy Name":"Piperic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H10O4"},5371506:{PUBCHEM:{CID:"5371506","Compound Complexity":180,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(E)-2,3-dimethylbut-2-enedioic acid","IUPAC Name CAS-like Style":"(E)-2,3-dimethyl-2-butenedioic acid","IUPAC Name Markup":"(E)-2,3-dimethylbut-2-enedioic acid","IUPAC Name Preferred":"(E)-2,3-dimethylbut-2-enedioic acid","IUPAC Name Systematic":"(E)-2,3-dimethylbut-2-enedioic acid","IUPAC Name Traditional":"(E)-2,3-dimethylbut-2-enedioic acid",InChI:"1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)/b4-3+",InChIKey:"CGBYBGVMDAPUIH-ONEGZZNKSA-N","Log P":.3,"Exact Mass":144.042258736,"Molecular Formula":"C6H8O4","Molecular Weight":144.12,"Monoisotopic Mass":144.042258736,Charge:0,"Easy Name":" (2E)-2, 3-Dimethyl-2-butenedioic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H8O4"},5371578:{PUBCHEM:{CID:"5371578","Compound Complexity":406,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate","IUPAC Name CAS-like Style":"(E)-3-dimethoxyphosphoryloxy-2-butenoic acid 1-phenylethyl ester","IUPAC Name Markup":"1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate","IUPAC Name Preferred":"1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate","IUPAC Name Systematic":"1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate","IUPAC Name Traditional":"(E)-3-dimethoxyphosphoryloxybut-2-enoic acid 1-phenylethyl ester",InChI:"1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+",InChIKey:"XXXSILNSXNPGKG-ZHACJKMWSA-N","Log P":3.3,"Exact Mass":314.09192533,"Molecular Formula":"C14H19O6P","Molecular Weight":314.27,"Monoisotopic Mass":314.09192533,Charge:0,"Easy Name":"Crotoxyphos","Easy Category":"Pesticide"},HSDB:{"Boiling Point":{Value:"135 °C @ 0.03 MM HG"},"Color And Form":{Value:"LIGHT STRAW-COLORED LIQ"},Density:{Value:"1.19 @ 25 °C"},Odor:{Value:"Mild ester"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.4988 @ 25 °C/D"},Solubility:{Value:"0.1%; SLIGHTLY SOL IN KEROSENE, SATURATED HYDROCARBONS; SOL IN ACETONE, CHLOROFORM, ETHANOL, HIGHLY CHLORINATED HYDROCARBONS"},Uses:{Value:'The active ingredient is no longer contained in any registered pesticide products ... "cancelled."'},"Vapor Pressure":{Value:"1.4X10-5 mm Hg @ 20 °C"}},ReducedFormula:"C14H19O6P1"},5372798:{PUBCHEM:{CID:"5372798","Compound Complexity":50.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloro-[(E)-2-chlorovinyl]arsane","IUPAC Name CAS-like Style":"Dichloro-[(E)-2-chloroethenyl]arsine","IUPAC Name Markup":"Dichloro-[(E)-2-chloroethenyl]arsane","IUPAC Name Preferred":"Dichloro-[(E)-2-chloroethenyl]arsane","IUPAC Name Systematic":"Bis(chloranyl)-[(E)-2-chloranylethenyl]arsane","IUPAC Name Traditional":"Dichloro-[(E)-2-chlorovinyl]arsine",InChI:"1S/C2H2AsCl3/c4-2-1-3(5)6/h1-2H/b2-1+",InChIKey:"GIKLTQKNOXNBNY-OWOJBTEDSA-N","Exact Mass":205.843803,"Molecular Formula":"C2H2AsCl3","Molecular Weight":207.31,"Monoisotopic Mass":205.843803,Charge:0,"Easy Name":"Trans-2-Chlorovinyldichloroarsine","Easy Category":"Organochlorides"},HSDB:{"Boiling Point":{Value:"190 °C at 760 mm Hg (decomposes); 93 °C at 26 mm Hg; 76-77 °C at 12.5 mm Hg"},"Color And Form":{Value:"Colorless liquid when pure; impurities lead to colors ranging from violet to brown."},Density:{Value:"1.888 at 20 °C/4 °C"},"Melting Point":{Value:"0.1 °C"},Odor:{Value:"Faint odor of geranium"},Solubility:{Value:"Greater than 10% in ethyl ether; greater than 10% in ethanol"},Uses:{Value:"Poison gas, skin-blistering agent."},"Vapor Density":{Value:"7.1 (Air=1)"},"Vapor Pressure":{Value:"0.58 mm Hg at 25 °C"}},ReducedFormula:"As1C2Cl3H2"},5372954:{PUBCHEM:{CID:"5372954","Compound Complexity":155,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-3-phenylprop-2-enoic acid","IUPAC Name CAS-like Style":"(Z)-3-phenyl-2-propenoic acid","IUPAC Name Markup":"(Z)-3-phenylprop-2-enoic acid","IUPAC Name Preferred":"(Z)-3-phenylprop-2-enoic acid","IUPAC Name Systematic":"(Z)-3-phenylprop-2-enoic acid","IUPAC Name Traditional":"(Z)-3-phenylacrylic acid",InChI:"1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-",InChIKey:"WBYWAXJHAXSJNI-SREVYHEPSA-N","Log P":2.1,"Exact Mass":148.052429497,"Molecular Formula":"C9H8O2","Molecular Weight":148.16,"Monoisotopic Mass":148.052429497,Charge:0,"Easy Name":" (Z)-Cinnamic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C9H8O2"},5379348:{PUBCHEM:{CID:"5379348","Compound Complexity":597,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(1E)-1-[(4-phenylazophenyl)hydrazono]naphthalen-2-one","IUPAC Name CAS-like Style":"(1E)-1-[(4-phenyldiazenylphenyl)hydrazinylidene]-2-naphthalenone","IUPAC Name Markup":"(1E)-1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one","IUPAC Name Preferred":"(1E)-1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one","IUPAC Name Systematic":"(1E)-1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one","IUPAC Name Traditional":"(1E)-1-[(4-phenylazophenyl)hydrazono]naphthalen-2-one",InChI:"1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,25H/b24-23?,26-22+",InChIKey:"HTPQPMPFXUWUOT-BSDCMEITSA-N","Log P":5.4,"Exact Mass":352.13241115,"Molecular Formula":"C22H16N4O","Molecular Weight":352.4,"Monoisotopic Mass":352.13241115,Charge:0,"Easy Name":"Sudan III","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C22H16N4O1"},5385314:{PUBCHEM:{CID:"5385314","Compound Complexity":250,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(2E)-3-methoxy-5-methyl-4-oxo-hexa-2,5-dienoic acid","IUPAC Name CAS-like Style":"(2E)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid","IUPAC Name Markup":"(2E)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid","IUPAC Name Preferred":"(2E)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid","IUPAC Name Systematic":"(2E)-3-methoxy-5-methyl-4-oxidanylidene-hexa-2,5-dienoic acid","IUPAC Name Traditional":"(2E)-4-keto-3-methoxy-5-methyl-hexa-2,5-dienoic acid",InChI:"1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4+",InChIKey:"VOUGEZYPVGAPBB-GQCTYLIASA-N","Log P":.9,"Exact Mass":170.0579088,"Molecular Formula":"C8H10O4","Molecular Weight":170.16,"Monoisotopic Mass":170.0579088,Charge:0,"Easy Name":"Pencillic acid","Easy Category":"Keto acids"},HSDB:{"Color And Form":{Value:"NEEDLES FROM PETROLEUM ETHER"},"Melting Point":{Value:"83-84 °C"},pH:{Value:"ACID REACTION, TURNS CONGO RED PAPER BLUE"},Solubility:{Value:"MODERATELY SOLUBLE IN COLD WATER (2 G/100 ML); FREELY SOLUBLE IN HOT WATER, ALCOHOL, ETHER, BENZENE, CHLOROFORM; SLIGHTLY SOLUBLE IN HOT PETROLEUM ETHER; PRACTICALLY INSOLUBLE IN PENTANE-HEXANE"},Uses:{Value:"PENICILLIC ACID HAS BEEN SHOWN TO HAVE ANTIVIRAL, ANTITUMOR, AND CYTOTOXIC EFFECTS."}},ReducedFormula:"C8H10O4"},5385589:{PUBCHEM:{CID:"5385589","Compound Complexity":301,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"(9E,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name CAS-like Style":"(9E,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name Markup":"(9E,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name Preferred":"(9E,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name Systematic":"(9E,11E,13Z)-octadeca-9,11,13-trienoic acid","IUPAC Name Traditional":"(9E,11E,13Z)-octadeca-9,11,13-trienoic acid",InChI:"1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9+",InChIKey:"CUXYLFPMQMFGPL-WJTNUVGISA-N","Log P":6.4,"Exact Mass":278.22458021,"Molecular Formula":"C18H30O2","Molecular Weight":278.4,"Monoisotopic Mass":278.22458021,Charge:0,"Easy Name":"Catalpic acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H30O2"},5388962:{PUBCHEM:{CID:"5388962","Compound Complexity":519,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"(2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"(2S)-1-[(2S)-2-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]proline",InChI:"1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1",InChIKey:"GBXSMTUPTTWBMN-XIRDDKMYSA-N","Log P":-.1,"Exact Mass":376.19982201,"Molecular Formula":"C20H28N2O5","Molecular Weight":376.4,"Monoisotopic Mass":376.19982201,Charge:0,"Easy Name":"Enalapril","Easy Category":"Pharmaceutical drug"},HSDB:{Solubility:{Value:"In water, 1.64X10+4 mg/L at 25 °C"},Uses:{Value:"Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents"},"Vapor Pressure":{Value:"1.06X10-12 mm Hg at 25 °C (est)"}},ReducedFormula:"C20H28N2O5"},5458383:{PUBCHEM:{CID:"5458383","Compound Complexity":901,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,6,21-trione","IUPAC Name CAS-like Style":"(1S,4E,10R,12E,14S,15S,17S,18S,19S)-15-hydroxy-10,17-dimethyl-16-methylene-19-(phenylmethyl)-2-oxa-20-azatricyclo[12.7.0.01,18]heneicosa-4,12-diene-3,6,21-trione","IUPAC Name Markup":"(1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,6,21-trione","IUPAC Name Preferred":"(1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,6,21-trione","IUPAC Name Systematic":"(1S,4E,10R,12E,14S,15S,17S,18S,19S)-10,17-dimethyl-16-methylidene-15-oxidanyl-19-(phenylmethyl)-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,6,21-trione","IUPAC Name Traditional":"(1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylene-2-oxa-20-azatricyclo[12.7.0.01,18]heneicosa-4,12-diene-3,6,21-trione",InChI:"1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,23+,24+,26+,27-,29-/m1/s1",InChIKey:"ZMAODHOXRBLOQO-TZVKRXPSSA-N","Log P":3.3,"Exact Mass":477.25152323,"Molecular Formula":"C29H35NO5","Molecular Weight":477.6,"Monoisotopic Mass":477.25152323,Charge:0,"Easy Name":"Cytochalasin A","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C29H35N1O5"},5458385:{PUBCHEM:{CID:"5458385","Compound Complexity":986,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione","IUPAC Name CAS-like Style":"(1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-7-hydroxy-7,9,16,17-tetramethyl-19-(phenylmethyl)-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]heneicosa-5,11-diene-3,8,21-trione","IUPAC Name Markup":"(1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione","IUPAC Name Preferred":"(1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione","IUPAC Name Systematic":"(1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-7,9,16,17-tetramethyl-7-oxidanyl-19-(phenylmethyl)-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione","IUPAC Name Traditional":"(1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]heneicosa-5,11-diene-3,8,21-trione",InChI:"1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1",InChIKey:"LAJXCUNOQSHRJO-ZYGJITOWSA-N","Log P":3.5,"Exact Mass":495.22570241,"Molecular Formula":"C28H33NO7","Molecular Weight":495.6,"Monoisotopic Mass":495.22570241,Charge:0,"Easy Name":"Cytochalasin E","Easy Category":"Ketone"},HSDB:{"Color And Form":{Value:"CRYSTALS FROM ACETONE-HEXANE"},"Melting Point":{Value:"206-208 °C WITH DECOMP"},Solubility:{Value:"SOL IN DICHLOROMETHANE, CHLOROFORM, ACETONE, & METHANOL; SPARINGLY SOL IN WATER"},Uses:{Value:"MEDICATION"}},ReducedFormula:"C28H33N1O7"},5458428:{PUBCHEM:{CID:"5458428","Compound Complexity":996,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-5,12-dihydroxy-5,7,14-trimethyl-13-methylene-6,18-dioxo-16-(phenylmethyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] ester","IUPAC Name Markup":"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate","IUPAC Name Preferred":"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate","IUPAC Name Systematic":"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-5,7,14-trimethyl-13-methylidene-5,12-bis(oxidanyl)-6,18-bis(oxidanylidene)-16-(phenylmethyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-6,18-diketo-5,7,14-trimethyl-13-methylene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] ester",InChI:"1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1",InChIKey:"SDZRWUKZFQQKKV-JHADDHBZSA-N","Log P":2.7,"Exact Mass":507.26208791,"Molecular Formula":"C30H37NO6","Molecular Weight":507.6,"Monoisotopic Mass":507.26208791,Charge:0,"Easy Name":"Cytochalasin D","Easy Category":"Lactam"},HSDB:{"Color And Form":{Value:"NEEDLES FROM ACETONE-PETROLEUM ETHER"},"Melting Point":{Value:"267-271 °C"},Uses:{Value:"MEDICATION"}},ReducedFormula:"C30H37N1O6"},5459129:{PUBCHEM:{CID:"5459129","Compound Complexity":553,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione","IUPAC Name CAS-like Style":"(3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione","IUPAC Name Markup":"(3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione","IUPAC Name Preferred":"(3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione","IUPAC Name Systematic":"(3S)-6-methoxy-3-methyl-1,3,8-tris(oxidanyl)-2,4-dihydro-1H-anthracene-9,10-dione","IUPAC Name Traditional":"(3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-quinone",InChI:"1S/C16H16O6/c1-16(21)5-9-13(11(18)6-16)15(20)12-8(14(9)19)3-7(22-2)4-10(12)17/h3-4,11,17-18,21H,5-6H2,1-2H3/t11?,16-/m0/s1",InChIKey:"LRHFZXBVDMVFCW-NBFOKTCDSA-N","Log P":.7,"Exact Mass":304.09468823,"Molecular Formula":"C16H16O6","Molecular Weight":304.29,"Monoisotopic Mass":304.09468823,Charge:0,"Easy Name":"Austrocortilutein","Easy Category":"Quinone"},HSDB:{},ReducedFormula:"C16H16O6"},5459130:{PUBCHEM:{CID:"5459130","Compound Complexity":571,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione","IUPAC Name CAS-like Style":"(7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione","IUPAC Name Markup":"(7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione","IUPAC Name Preferred":"(7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione","IUPAC Name Systematic":"(7S)-2-methoxy-7-methyl-5,7,9,10-tetrakis(oxidanyl)-6,8-dihydro-5H-anthracene-1,4-dione","IUPAC Name Traditional":"(7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-quinone",InChI:"1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,18-19,21-22H,4-5H2,1-2H3/t8?,16-/m0/s1",InChIKey:"WWTHHBSODPGTAK-VEDISBKWSA-N","Log P":1.1,"Exact Mass":320.08960285,"Molecular Formula":"C16H16O7","Molecular Weight":320.29,"Monoisotopic Mass":320.08960285,Charge:0,"Easy Name":"Austrocortirubin","Easy Category":"Quinone"},HSDB:{},ReducedFormula:"C16H16O7"},5460005:{PUBCHEM:{CID:"5460005","Compound Complexity":83,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(3S,4R)-3,4,5-trihydroxypentanal","IUPAC Name CAS-like Style":"(3S,4R)-3,4,5-trihydroxypentanal","IUPAC Name Markup":"(3S,4R)-3,4,5-trihydroxypentanal","IUPAC Name Preferred":"(3S,4R)-3,4,5-trihydroxypentanal","IUPAC Name Systematic":"(3S,4R)-3,4,5-tris(oxidanyl)pentanal","IUPAC Name Traditional":"(3S,4R)-3,4,5-trihydroxyvaleraldehyde",InChI:"1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5+/m0/s1",InChIKey:"ASJSAQIRZKANQN-CRCLSJGQSA-N","Log P":-2.3,"Exact Mass":134.0579088,"Molecular Formula":"C5H10O4","Molecular Weight":134.13,"Monoisotopic Mass":134.0579088,Charge:0,"Easy Name":" (3S, 4R)-3, 4, 5-trihydroxypentanal","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O4"},5460024:{PUBCHEM:{CID:"5460024","Compound Complexity":147,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one","IUPAC Name CAS-like Style":"(3R,4S,5S)-1,3,4,5,6-pentahydroxy-2-hexanone","IUPAC Name Markup":"(3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one","IUPAC Name Preferred":"(3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one","IUPAC Name Systematic":"(3R,4S,5S)-1,3,4,5,6-pentakis(oxidanyl)hexan-2-one","IUPAC Name Traditional":"(3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m0/s1",InChIKey:"BJHIKXHVCXFQLS-FUTKDDECSA-N","Log P":-3.2,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"L-Fructose","Easy Category":"Ketohexoses"},HSDB:{},ReducedFormula:"C6H12O6"},5460029:{PUBCHEM:{CID:"5460029","Compound Complexity":126,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name CAS-like Style":"(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name Markup":"(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name Preferred":"(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal","IUPAC Name Systematic":"(2S,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal",InChI:"1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m1/s1",InChIKey:"PNNNRSAQSRJVSB-KVTDHHQDSA-N","Log P":-2.4,"Exact Mass":164.06847348,"Molecular Formula":"C6H12O5","Molecular Weight":164.16,"Monoisotopic Mass":164.06847348,Charge:0,"Easy Name":"Aldehydo-D-rhamnose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O5"},5460048:{PUBCHEM:{CID:"5460048","Compound Complexity":133,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"2,3-diformyloxypropyl formate","IUPAC Name CAS-like Style":"Formic acid 2,3-diformyloxypropyl ester","IUPAC Name Markup":"2,3-diformyloxypropyl formate","IUPAC Name Preferred":"2,3-diformyloxypropyl formate","IUPAC Name Systematic":"2,3-dimethanoyloxypropyl methanoate","IUPAC Name Traditional":"Formic acid 2,3-diformyloxypropyl ester",InChI:"1S/C6H8O6/c7-3-10-1-6(12-5-9)2-11-4-8/h3-6H,1-2H2",InChIKey:"UFTFJSFQGQCHQW-UHFFFAOYSA-N","Log P":0,"Exact Mass":176.03208798,"Molecular Formula":"C6H8O6","Molecular Weight":176.12,"Monoisotopic Mass":176.03208798,Charge:0,"Easy Name":"2, 3-diformyloxypropyl formate","Easy Category":"Triglyceride"},HSDB:{},ReducedFormula:"C6H8O6"},5460291:{PUBCHEM:{CID:"5460291","Compound Complexity":104,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal","IUPAC Name CAS-like Style":"(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Markup":"(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Preferred":"(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal","IUPAC Name Systematic":"(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentanal","IUPAC Name Traditional":"(2R,3S,4S)-2,3,4,5-tetrahydroxyvaleraldehyde",InChI:"1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1",InChIKey:"PYMYPHUHKUWMLA-VAYJURFESA-N","Log P":-2.3,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"L-Arabinose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},5460341:{PUBCHEM:{CID:"5460341","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium","IUPAC Name CAS-like Style":"Calcium","IUPAC Name Markup":"Calcium","IUPAC Name Preferred":"Calcium","IUPAC Name Systematic":"Calcium","IUPAC Name Traditional":"Calcium",InChI:"1S/Ca",InChIKey:"OYPRJOBELJOOCE-UHFFFAOYSA-N","Exact Mass":39.9625909,"Molecular Formula":"Ca","Molecular Weight":40.08,"Monoisotopic Mass":39.9625909,Charge:0,"Easy Name":"Calcium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1484 °C"},"Color And Form":{Value:"Lustrous, silver-white surface (when freshly cut); face-centered cubic structure below 300 °C; acquires bluish-gray tarnish on exposure to moist air"},Density:{Value:"1.54 @ 20 °C/4 °C"},"Melting Point":{Value:"842 °C"},Solubility:{Value:"Insoluble in benzene; reacts with water"},Uses:{Value:"AS INDUSTRIAL CATALYST FOR POLYESTER FIBERS"},"Vapor Pressure":{Value:"10 mm Hg @ 983 °C"}},ReducedFormula:"Ca1"},5460467:{PUBCHEM:{CID:"5460467","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Beryllium","IUPAC Name CAS-like Style":"Beryllium","IUPAC Name Markup":"Beryllium","IUPAC Name Preferred":"Beryllium","IUPAC Name Systematic":"Beryllium","IUPAC Name Traditional":"Beryllium",InChI:"1S/Be",InChIKey:"ATBAMAFKBVZNFJ-UHFFFAOYSA-N","Exact Mass":9.0121831,"Molecular Formula":"Be","Molecular Weight":9.012183,"Monoisotopic Mass":9.0121831,Charge:0,"Easy Name":"Beryllium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2468 °C"},"Color And Form":{Value:"Hexagonal crystals"},Density:{Value:"1.85 g/cu cm"},"Hazards Summary":{Value:"The major hazards encountered in the use and handling of beryllium stem from its toxicologic properties and flammability. Toxic primarily by inhalation and dermal contact (as fumes, aerosolized salt solutions, or finely divided dust), exposure to this odorless, grayish-white metal may occur from its use as an alloy or metal in materials for manufacturing aircraft and spacecraft, nuclear reactors, electrical equipment, and electronic components. Effects from exposure may include contact burns to the skin and eyes, skin ulceration, nausea, headache, weakness, chest pain, shortness of breath, fever, bronchitis, acute pneumonitis, and possibly death from heart failure. The OSHA PEL and ACGIH TLV are set at a TWA of 2 ug/cu m. Adequate local exhaust ventilation is necessary to prevent inhalation of, and skin contact with beryllium. In activities or situations where over-exposure is possible, workers should wear a self-contained breathing with full face piece. Protective clothing also should be worn, including protective suits (preferably disposable, one-piece and close fitting at ankles and wrists), gloves, hair covering, and over shoes. If contact should occur, immediately remove contaminated clothing and flush affected skin or eyes with running water for at least 15 minutes. While Smoking, drinking, and eating in beryllium work areas should be prohibited. Finely divided beryllium dust presents the greatest fire hazard, forming mixtures in air that can ignite explosively when exposed to heat, sparks, or flame. For fires involving beryllium, extinguish with water spray, fog, or standard foam. Wear a self-contained breathing apparatus and protective clothing when fighting such fires. Beryllium should be stored in dry areas, away from acids, alkalis, chlorinated hydrocarbons, oxidizable materials, and sources of ignition, including any sparking or arcing electrical apparatus. Shipping regulations and other DOT regulatory requirements should be consulted before transport. For small dry spills, collect beryllium and place in a clean, dry container for later disposal. For large spills, first dike the area, then wet down material with water for later disposal. Before implementing land disposal of waste beryllium, consult with environmental regulatory agencies for guidance. Also, recovering and recycling of beryllium is an alternative to its disposal."},"Melting Point":{Value:"1287 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"Insoluble in cold water, mercury; slightly soluble in hot water"},Uses:{Value:"Most of the beryllium produced today is used as an alloying element in copper beryllium alloys."},"Vapor Pressure":{Value:"1 Pa at 1189 °C (solid); 10 Pa at 1335 °C; 100 Pa at 1518 °C; 1 kPa at 1750 °C; 10 kPa at 2054 °C; 100 kPa at 2469 °C"}},ReducedFormula:"Be1"},5460494:{PUBCHEM:{CID:"5460494","Compound Complexity":76.5,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gold(3+);tetracyanide","IUPAC Name CAS-like Style":"Gold(3+);tetracyanide","IUPAC Name Markup":"Gold(3+);tetracyanide","IUPAC Name Preferred":"Gold(3+);tetracyanide","IUPAC Name Systematic":"Gold(3+);tetracyanide","IUPAC Name Traditional":"Gold(3+);tetracyanide",InChI:"1S/4CN.Au/c4*1-2;/q4*-1;+3",InChIKey:"JGLCONSOSSTGDG-UHFFFAOYSA-N","Exact Mass":300.978866,"Molecular Formula":"C4AuN4-","Molecular Weight":301.04,"Monoisotopic Mass":300.978866,Charge:-1,"Easy Name":"Gold (III) cyanide ion","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1Au1C4N4"},5460514:{PUBCHEM:{CID:"5460514","Compound Complexity":99.2,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane","IUPAC Name CAS-like Style":"Disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane","IUPAC Name Markup":"Disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane","IUPAC Name Preferred":"Disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane","IUPAC Name Systematic":"Disodium;3,3,6,6-tetrakis(oxidanyl)-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane","IUPAC Name Traditional":"Disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane",InChI:"1S/B2H4O8.2Na/c3-1(4)7-9-2(5,6)10-8-1;;/h3-6H;;/q-2;2*+1",InChIKey:"JBUKJLNBQDQXLI-UHFFFAOYSA-N","Exact Mass":199.988766,"Molecular Formula":"B2H4Na2O8","Molecular Weight":199.63,"Monoisotopic Mass":199.988766,Charge:0,"Easy Name":"Sodium perborate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"B2H4Na2O8"},5460602:{PUBCHEM:{CID:"5460602","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/S2/c1-2",InChIKey:"MAHNFPMIPQKPPI-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":63.94414235,"Molecular Formula":"S2","Molecular Weight":64.14,"Monoisotopic Mass":63.94414235,Charge:0,"Easy Name":"Disulfur","Easy Category":"Simple substances"},HSDB:{},ReducedFormula:"S2"},5460626:{PUBCHEM:{CID:"5460626","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hypobromite","IUPAC Name CAS-like Style":"Hypobromite","IUPAC Name Markup":"Hypobromite","IUPAC Name Preferred":"Hypobromite","IUPAC Name Systematic":"Hypobromite","IUPAC Name Traditional":"Hypobromite",InChI:"1S/BrO/c1-2/q-1",InChIKey:"JGJLWPGRMCADHB-UHFFFAOYSA-N","Log P":.4,"Exact Mass":94.91325,"Molecular Formula":"BrO-","Molecular Weight":95.9,"Monoisotopic Mass":94.91325,Charge:-1,"Easy Name":"Hypobromite","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1Br1O1"},5460671:{PUBCHEM:{CID:"5460671","Compound Complexity":331,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":7,"IUPAC Name Allowed":"(2S)-2-amino-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-6-[[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]-oxomethyl]amino]hexanoic acid","IUPAC Name Markup":"(2S)-2-amino-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoic acid","IUPAC Name Preferred":"(2S)-2-amino-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]hexanoic acid","IUPAC Name Traditional":"(2S)-2-amino-6-[[(2R,3R)-3-methyl-1-pyrroline-2-carbonyl]amino]hexanoic acid",InChI:"1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1",InChIKey:"ZFOMKMMPBOQKMC-KXUCPTDWSA-N","Log P":-2.8,"Exact Mass":255.15829155,"Molecular Formula":"C12H21N3O3","Molecular Weight":255.31,"Monoisotopic Mass":255.15829155,Charge:0,"Easy Name":"N6-{[ (2R, 3R)-3-methyl-3, 4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C12H21N3O3"},5460700:{PUBCHEM:{CID:"5460700","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Phosphanylidynephosphane","IUPAC Name CAS-like Style":"Phosphinidynephosphine","IUPAC Name Markup":"Phosphanylidynephosphane","IUPAC Name Preferred":"Phosphanylidynephosphane","IUPAC Name Systematic":"Phosphanylidynephosphane","IUPAC Name Traditional":"Phosphinidynephosphine",InChI:"1S/P2/c1-2",InChIKey:"FOBPTJZYDGNHLR-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":61.947524,"Molecular Formula":"P2","Molecular Weight":61.947524,"Monoisotopic Mass":61.947524,Charge:0,"Easy Name":"Diphosphorus","Easy Category":"Simple substances"},HSDB:{},ReducedFormula:"P2"},5460708:{PUBCHEM:{CID:"5460708","Compound Complexity":616,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Octacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene","IUPAC Name CAS-like Style":"Octacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene","IUPAC Name Markup":"Octacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene","IUPAC Name Preferred":"Octacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene","IUPAC Name Systematic":"Octacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene","IUPAC Name Traditional":"Octacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene",InChI:"1S/C34H20/c1-2-6-22-10-26-14-30-18-34-20-32-16-28-12-24-8-4-3-7-23(24)11-27(28)15-31(32)19-33(34)17-29(30)13-25(26)9-21(22)5-1/h1-20H",InChIKey:"PFTXKXWAXWAZBP-UHFFFAOYSA-N","Log P":9,"Exact Mass":428.15650064,"Molecular Formula":"C34H20","Molecular Weight":428.5,"Monoisotopic Mass":428.15650064,Charge:0,"Easy Name":"Octacene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C34H20"},5460712:{PUBCHEM:{CID:"5460712","Compound Complexity":516,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Heptacene","IUPAC Name CAS-like Style":"Heptacene","IUPAC Name Markup":"Heptacene","IUPAC Name Preferred":"Heptacene","IUPAC Name Systematic":"Heptacene","IUPAC Name Traditional":"Heptacene",InChI:"1S/C30H18/c1-2-6-20-10-24-14-28-18-30-16-26-12-22-8-4-3-7-21(22)11-25(26)15-29(30)17-27(28)13-23(24)9-19(20)5-1/h1-18H",InChIKey:"KDEZIUOWTXJEJK-UHFFFAOYSA-N","Log P":8.6,"Exact Mass":378.14085058,"Molecular Formula":"C30H18","Molecular Weight":378.5,"Monoisotopic Mass":378.14085058,Charge:0,"Easy Name":"Heptacene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C30H18"},5460725:{PUBCHEM:{CID:"5460725","Compound Complexity":276,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Heptalene","IUPAC Name CAS-like Style":"Heptalene","IUPAC Name Markup":"Heptalene","IUPAC Name Preferred":"Heptalene","IUPAC Name Systematic":"Heptalene","IUPAC Name Traditional":"Heptalene",InChI:"1S/C12H10/c1-3-7-11-9-5-2-6-10-12(11)8-4-1/h1-10H",InChIKey:"DDTGNKBZWQHIEH-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":154.078250322,"Molecular Formula":"C12H10","Molecular Weight":154.21,"Monoisotopic Mass":154.078250322,Charge:0,"Easy Name":"Heptalene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C12H10"},5460726:{PUBCHEM:{CID:"5460726","Compound Complexity":174,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentalene","IUPAC Name CAS-like Style":"Pentalene","IUPAC Name Markup":"Pentalene","IUPAC Name Preferred":"Pentalene","IUPAC Name Systematic":"Pentalene","IUPAC Name Traditional":"Pentalene",InChI:"1S/C8H6/c1-3-7-5-2-6-8(7)4-1/h1-6H",InChIKey:"GUVXZFRDPCKWEM-UHFFFAOYSA-N","Log P":2,"Exact Mass":102.046950193,"Molecular Formula":"C8H6","Molecular Weight":102.13,"Monoisotopic Mass":102.046950193,Charge:0,"Easy Name":"Pentalene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C8H6"},5460727:{PUBCHEM:{CID:"5460727","Compound Complexity":381,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"As-indacene","IUPAC Name CAS-like Style":"As-indacene","IUPAC Name Markup":"As-indacene","IUPAC Name Preferred":"As-indacene","IUPAC Name Systematic":"As-indacene","IUPAC Name Traditional":"As-indacene",InChI:"1S/C12H8/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h1-8H",InChIKey:"KNNXFYIMEYKHBZ-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":152.062600258,"Molecular Formula":"C12H8","Molecular Weight":152.19,"Monoisotopic Mass":152.062600258,Charge:0,"Easy Name":"As-indacene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C12H8"},5460734:{PUBCHEM:{CID:"5460734","Compound Complexity":341,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"S-indacene","IUPAC Name CAS-like Style":"S-indacene","IUPAC Name Markup":"S-indacene","IUPAC Name Preferred":"S-indacene","IUPAC Name Systematic":"S-indacene","IUPAC Name Traditional":"S-indacene",InChI:"1S/C12H8/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1-8H",InChIKey:"WEMQMWWWCBYPOV-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":152.062600258,"Molecular Formula":"C12H8","Molecular Weight":152.19,"Monoisotopic Mass":152.062600258,Charge:0,"Easy Name":"S-indacene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C12H8"},5460738:{PUBCHEM:{CID:"5460738","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;ammonia","IUPAC Name CAS-like Style":"Silver;ammonia","IUPAC Name Markup":"Silver;azane","IUPAC Name Preferred":"Silver;azane","IUPAC Name Systematic":"Silver;azane","IUPAC Name Traditional":"Silver;ammonia",InChI:"1S/Ag.2H3N/h;2*1H3/q+1;;",InChIKey:"IWIFJNQIJSKDJE-UHFFFAOYSA-N","Exact Mass":140.95819,"Molecular Formula":"AgH6N2+","Molecular Weight":141.93,"Monoisotopic Mass":140.95819,Charge:1,"Easy Name":"Diamminesilver (I)","Easy Category":"Cation"},HSDB:{},ReducedFormula:"+1Ag1H6N2"},5460988:{PUBCHEM:{CID:"5460988","Compound Complexity":258,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":17,"IUPAC Name Allowed":"(E)-icos-9-enoic acid","IUPAC Name CAS-like Style":"(E)-9-eicosenoic acid","IUPAC Name Markup":"(E)-icos-9-enoic acid","IUPAC Name Preferred":"(E)-icos-9-enoic acid","IUPAC Name Systematic":"(E)-icos-9-enoic acid","IUPAC Name Traditional":"(E)-eicos-9-enoic acid",InChI:"1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11+",InChIKey:"LQJBNNIYVWPHFW-VAWYXSNFSA-N","Log P":7.6,"Exact Mass":310.28718046,"Molecular Formula":"C20H38O2","Molecular Weight":310.5,"Monoisotopic Mass":310.28718046,Charge:0,"Easy Name":"Gadeolic Acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C20H38O2"},5460995:{PUBCHEM:{CID:"5460995","Compound Complexity":335,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoic acid","IUPAC Name CAS-like Style":"(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoic acid","IUPAC Name Markup":"(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoic acid","IUPAC Name Preferred":"(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoic acid","IUPAC Name Systematic":"(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoic acid","IUPAC Name Traditional":"(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoic acid",InChI:"1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+,10-9-",InChIKey:"IJTNSXPMYKJZPR-ZSCYQOFPSA-N","Log P":5.9,"Exact Mass":276.20893014,"Molecular Formula":"C18H28O2","Molecular Weight":276.4,"Monoisotopic Mass":276.20893014,Charge:0,"Easy Name":"Alpha-Parinaric acid","Easy Category":"Fatty acid"},HSDB:{},ReducedFormula:"C18H28O2"},5461007:{PUBCHEM:{CID:"5461007","Compound Complexity":435,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"(3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid","IUPAC Name CAS-like Style":"(3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid","IUPAC Name Markup":"(3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid","IUPAC Name Preferred":"(3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid","IUPAC Name Systematic":"(3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid","IUPAC Name Traditional":"(3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid",InChI:"1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1,5,7-11H,12H2,(H,14,15)/b9-8-,11-10+",InChIKey:"APNPVBXEWGCCLU-QNRZBPGKSA-N","Log P":1.9,"Exact Mass":198.068079562,"Molecular Formula":"C13H10O2","Molecular Weight":198.22,"Monoisotopic Mass":198.068079562,Charge:0,"Easy Name":"Antiblastin","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C13H10O2"},5461019:{PUBCHEM:{CID:"5461019","Compound Complexity":2.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;ammonia;fluoride","IUPAC Name CAS-like Style":"Silver;ammonia;fluoride","IUPAC Name Markup":"Silver;azane;fluoride","IUPAC Name Preferred":"Silver;azane;fluoride","IUPAC Name Systematic":"Silver;azane;fluoride","IUPAC Name Traditional":"Silver;ammonia;fluoride",InChI:"1S/Ag.FH.2H3N/h;1H;2*1H3/q+1;;;/p-1",InChIKey:"FJKGRAZQBBWYLG-UHFFFAOYSA-M","Exact Mass":159.95659,"Molecular Formula":"AgFH6N2","Molecular Weight":160.928,"Monoisotopic Mass":159.95659,Charge:0,"Easy Name":"Diamminesilver (I) Fluoride","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Ag1F1H6N2"},5461041:{PUBCHEM:{CID:"5461041","Compound Complexity":25.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thiirene","IUPAC Name CAS-like Style":"Thiirene","IUPAC Name Markup":"Thiirene","IUPAC Name Preferred":"Thiirene","IUPAC Name Systematic":"Thiirene","IUPAC Name Traditional":"Thiirene",InChI:"1S/C2H2S/c1-2-3-1/h1-2H",InChIKey:"JTQAPFZZCXWQNQ-UHFFFAOYSA-N","Log P":.7,"Exact Mass":57.98772124,"Molecular Formula":"C2H2S","Molecular Weight":58.1,"Monoisotopic Mass":57.98772124,Charge:0,"Easy Name":"Thiirene","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C2H2S1"},5461123:{PUBCHEM:{CID:"5461123","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silicon","IUPAC Name CAS-like Style":"Silicon","IUPAC Name Markup":"Silicon","IUPAC Name Preferred":"Silicon","IUPAC Name Systematic":"Silicon","IUPAC Name Traditional":"Silicon",InChI:"1S/Si",InChIKey:"XUIMIQQOPSSXEZ-UHFFFAOYSA-N","Exact Mass":27.976926535,"Molecular Formula":"Si","Molecular Weight":28.085,"Monoisotopic Mass":27.976926535,Charge:0,"Easy Name":"Silicon","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2355 °C"},"Color And Form":{Value:"Black to gray, lustrous, needle-like crystals or octahedral platelets (cubic system); amorphous form is dark brown powder"},"Critical Temperature And Pressure":{Value:"Critical temperature: 4886 °C; critical pressure: 53.6 MPa"},Density:{Value:"2.33 g/cu cm at 25 °C/4 °C"},"Heat Of Vaporization":{Value:"16 kJ/g"},"Melting Point":{Value:"1410 °C"},"NFPA Hazard Classification":{Value:"1-2-0"},Solubility:{Value:"Soluble in a mixture of nitric and hydrofluoric acids and in alkalis; insoluble in nitric and hydrochloric acid"},Uses:{Value:"Silicon-used to make some the earliest photovoltaic (PV) devices-is still the most popular material for solar cells. To be useful as a semiconductor material in solar cells, silicon must be refined to a purity of 99.9999%."},"Vapor Pressure":{Value:"1 Pa at 1635 °C; 10 Pa at 1829 °C; 100 Pa at 2066 °C; 1 kPa at 2363 °C; 10 kPa at 2748 °C; 100 kPa at 3264 °C"},Viscosity:{Value:"Dynamic viscosity = 0.88 cP at MP and 0.7 cP at 1500 °C; kinematic viscosity (calculated) = 0.347 cSt at MP and 0.28 cSt at 1500 °C /Liquid silicon/"}},ReducedFormula:"Si1"},5462222:{PUBCHEM:{CID:"5462222","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium","IUPAC Name CAS-like Style":"Potassium","IUPAC Name Markup":"Potassium","IUPAC Name Preferred":"Potassium","IUPAC Name Systematic":"Potassium","IUPAC Name Traditional":"Potassium",InChI:"1S/K",InChIKey:"ZLMJMSJWJFRBEC-UHFFFAOYSA-N","Exact Mass":38.96370649,"Molecular Formula":"K","Molecular Weight":39.098,"Monoisotopic Mass":38.96370649,Charge:0,"Easy Name":"Potassium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"759 °C"},"Color And Form":{Value:"Soft, silvery-white metal; body centered cubic structure"},Density:{Value:"0.862 at 20 °C"},"Heat Of Vaporization":{Value:"2.075 kJ/g"},"Melting Point":{Value:"63.5 °C"},"NFPA Hazard Classification":{Value:"3-1-2- ̵W̵"},Solubility:{Value:"Soluble in liquid ammonia, ethylenediamine, aniline; soluble in several metals; forms liquid alloys with other alkali metals"},Uses:{Value:"In synthesis of inorganic potassium compds; inorganic syntheses involving condensation, dehalogenation, reduction, and polymerization reactions."},"Vapor Density":{Value:"1.4 (Air = 1)"},"Vapor Pressure":{Value:"8 mm Hg at 432 °C"}},ReducedFormula:"K1"},5462224:{PUBCHEM:{CID:"5462224","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium","IUPAC Name CAS-like Style":"Magnesium","IUPAC Name Markup":"Magnesium","IUPAC Name Preferred":"Magnesium","IUPAC Name Systematic":"Magnesium","IUPAC Name Traditional":"Magnesium",InChI:"1S/Mg",InChIKey:"FYYHWMGAXLPEAU-UHFFFAOYSA-N","Exact Mass":23.9850417,"Molecular Formula":"Mg","Molecular Weight":24.305,"Monoisotopic Mass":23.9850417,Charge:0,"Easy Name":"Magnesium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"1100 °C"},"Color And Form":{Value:"Silvery-white metal"},Density:{Value:"1.738 @ 20 °C"},"Heat Of Vaporization":{Value:"5,272 kJ/kg @ 20 °C"},"Melting Point":{Value:"651 °C"},"NFPA Hazard Classification":{Value:"0-0-1"},Odor:{Value:"none"},Solubility:{Value:"INSOL IN COLD WATER, CHROMIUM TRIOXIDES; SOLUBLE IN MINERAL ACIDS"},Uses:{Value:"In alloys to produce light weight structural metals. In aluminum alloys to improve mechanical properties; used in /the production of/ Grignard reagents; in dry cell batteries; in pyrotechnics. For hot metal desulfurization, esp. molten iron; prodn of ductile iron; metal reduction to produce elemental boron, titanium, zirconium; corrosion protection of steel structures; sacrificial anodes for corrosion protection."},"Vapor Density":{Value:"0.84"},"Vapor Pressure":{Value:"1 Pa @ 428 °C"},Viscosity:{Value:"1.25 cP @ melting point"}},ReducedFormula:"Mg1"},5462306:{PUBCHEM:{CID:"5462306","Compound Complexity":571,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(4R,7aR,12bS)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol","IUPAC Name CAS-like Style":"(4R,7aR,12bS)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol","IUPAC Name Markup":"(4R,7aR,12bS)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol","IUPAC Name Preferred":"(4R,7aR,12bS)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol","IUPAC Name Systematic":"(4R,7aR,12bS)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol","IUPAC Name Traditional":"(4R,7aR,12bS)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol",InChI:"1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1",InChIKey:"ZKLXUUYLEHCAMF-UUWFMWQGSA-N","Log P":1.9,"Exact Mass":297.13649348,"Molecular Formula":"C18H19NO3","Molecular Weight":297.3,"Monoisotopic Mass":297.13649348,Charge:0,"Easy Name":"Oripavine","Easy Category":"Alkaloid"},HSDB:{"Color And Form":{Value:"Crystals"},"Melting Point":{Value:"200-201 °C"},Solubility:{Value:"In water, 7351 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"3.68X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C18H19N1O3"},5462309:{PUBCHEM:{CID:"5462309","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Phosphorus","IUPAC Name CAS-like Style":"Phosphorus","IUPAC Name Markup":"Phosphorus","IUPAC Name Preferred":"Phosphorus","IUPAC Name Systematic":"Phosphorus","IUPAC Name Traditional":"Phosphorus",InChI:"1S/P",InChIKey:"OAICVXFJPJFONN-UHFFFAOYSA-N","Exact Mass":30.973761999,"Molecular Formula":"P","Molecular Weight":30.973762,"Monoisotopic Mass":30.973761999,Charge:0,"Easy Name":"Phosphorus","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"P1"},5462310:{PUBCHEM:{CID:"5462310","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon","IUPAC Name CAS-like Style":"Carbon","IUPAC Name Markup":"Carbon","IUPAC Name Preferred":"Carbon","IUPAC Name Systematic":"Carbon","IUPAC Name Traditional":"Carbon",InChI:"1S/C",InChIKey:"OKTJSMMVPCPJKN-UHFFFAOYSA-N","Log P":.6,"Exact Mass":12,"Molecular Formula":"C","Molecular Weight":12.011,"Monoisotopic Mass":12,Charge:0,"Easy Name":"Carbon","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"Sublimes at 3642 °C; triple point (graphite-liquid-gas), 4492 °C at a pressure of 101.325 kPa"},"Color And Form":{Value:"Steel gray to black greasy feeling solid."},Odor:{Value:"Odorless."},Uses:{Value:"The pyrolysis of carbon in the presence of the other active ingredients such as sodium and potassium nitrates results in simple organic and inorganic cmpd, mostly in the form of gasses, which cause asphyxiation of pest in burrows. ..."},"Vapor Pressure":{Value:"1 mm Hg at 3586 °C"}},ReducedFormula:"C1"},5462311:{PUBCHEM:{CID:"5462311","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Boron","IUPAC Name CAS-like Style":"Boron","IUPAC Name Markup":"Boron","IUPAC Name Preferred":"Boron","IUPAC Name Systematic":"Boron","IUPAC Name Traditional":"Boron",InChI:"1S/B",InChIKey:"ZOXJGFHDIHLPTG-UHFFFAOYSA-N","Exact Mass":11.0093052,"Molecular Formula":"B","Molecular Weight":10.81,"Monoisotopic Mass":11.0093052,Charge:0,"Easy Name":"Boron","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"4,000 °C"},"Color And Form":{Value:"Polymorphic: alpha-rhombohedral form, clear red crystals; beta-rhombohedral form, black; alpha-tetragonal form, black, opaque crystals with metallic luster; amorphous form, black or dark brown powder; other crystal forms are known but not entirely characterized"},Density:{Value:"Amorphous, 2.350 g/cu cm; alpha-rhombohedral, 2.46 g/cu cm; alpha-tetragonal, 2.31 g/cu cm; beta-rhombohedral, 2.35 g/cu cm"},"Melting Point":{Value:"2,075 °C"},Solubility:{Value:"Insoluble in water; unaffected by aqueous hydrochloric and hydrofluoric acids; when finely divided it is soluble in boiling nitric and sulfuric acids and in molten metals such as copper, iron, magnesium, aluminum, calcium; reacts vigorously with fused sodium peroxide or with a fusion mixture of sodium carbonate or potassium nitrate"},Uses:{Value:"For boron (USEPA/OPP Pesticide Code: 128945) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.56X10-5 atm (0.0119 mm Hg) at 2140 °C"}},ReducedFormula:"B1"},5462507:{PUBCHEM:{CID:"5462507","Compound Complexity":592,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ester","IUPAC Name Markup":"[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate","IUPAC Name Preferred":"[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate","IUPAC Name Systematic":"[(4R,4aR,7S,7aR,12bS)-3-methyl-9-oxidanyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ester",InChI:"1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",InChIKey:"JJGYGPZNTOPXGV-SSTWWWIQSA-N","Log P":1.3,"Exact Mass":327.14705816,"Molecular Formula":"C19H21NO4","Molecular Weight":327.4,"Monoisotopic Mass":327.14705816,Charge:0,"Easy Name":"6-Monoacetylmorphine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C19H21N1O4"},5462743:{PUBCHEM:{CID:"5462743","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dibromide","IUPAC Name CAS-like Style":"Barium(2+);dibromide","IUPAC Name Markup":"Barium(2+);dibromide","IUPAC Name Preferred":"Barium(2+);dibromide","IUPAC Name Systematic":"Barium(2+);dibromide","IUPAC Name Traditional":"Barium(2+);dibromide",InChI:"1S/Ba.2BrH/h;2*1H/q+2;;/p-2",InChIKey:"NKQIMNKPSDEDMO-UHFFFAOYSA-L","Exact Mass":297.73987,"Molecular Formula":"BaBr2","Molecular Weight":297.13,"Monoisotopic Mass":295.74192,Charge:0,"Easy Name":"Barium bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1Br2"},5462744:{PUBCHEM:{CID:"5462744","Compound Complexity":58.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-2,5-dimethylhex-3-ene","IUPAC Name CAS-like Style":"(Z)-2,5-dimethyl-3-hexene","IUPAC Name Markup":"(Z)-2,5-dimethylhex-3-ene","IUPAC Name Preferred":"(Z)-2,5-dimethylhex-3-ene","IUPAC Name Systematic":"(Z)-2,5-dimethylhex-3-ene","IUPAC Name Traditional":"(Z)-2,5-dimethylhex-3-ene",InChI:"1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5-",InChIKey:"KNCMKWVOMRUHKZ-WAYWQWQTSA-N","Log P":3.2,"Exact Mass":112.12520052,"Molecular Formula":"C8H16","Molecular Weight":112.21,"Monoisotopic Mass":112.12520052,Charge:0,"Easy Name":"Cis-2, 5-Dimethyl-3-hexene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C8H16"},5462814:{PUBCHEM:{CID:"5462814","Compound Complexity":123,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"(E)-carbamoyliminourea","IUPAC Name CAS-like Style":"(E)-carbamoyliminourea","IUPAC Name Markup":"(E)-carbamoyliminourea","IUPAC Name Preferred":"(E)-carbamoyliminourea","IUPAC Name Systematic":"(1E)-1-aminocarbonyliminourea","IUPAC Name Traditional":"(E)-carbamoyliminourea",InChI:"1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+",InChIKey:"XOZUGNYVDXMRKW-AATRIKPKSA-N","Log P":-1,"Exact Mass":116.033425386,"Molecular Formula":"C2H4N4O2","Molecular Weight":116.08,"Monoisotopic Mass":116.033425386,Charge:0,"Easy Name":"Azodicarbonamide","Easy Category":"Amide"},HSDB:{"Color And Form":{Value:"Orange-red crystals"},Density:{Value:"1.65 @ 20 °C"},"Melting Point":{Value:"225 °C (decomposes)"},Solubility:{Value:"SLIGHTLY SOL IN ETHER; INSOL IN ORGANIC SOLVENTS"},Uses:{Value:"Blowing agent for synthetic and natural rubber & ethylene-vinyl acetate copolymers; for Poly(vinylchloride) compounds and thermoplastic urethane elastomers; for polyolefin resins; acrylic & acetal polymers & polyethylene; for acrylonitrile-butadiene-styrene resins and high impact polystyrene sheeting."},"Vapor Pressure":{Value:"1.88X10-10 mm Hg @ 20 °C"}},ReducedFormula:"C2H4N4O2"},5462815:{PUBCHEM:{CID:"5462815","Compound Complexity":147,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxo-vanadium","IUPAC Name CAS-like Style":"(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium","IUPAC Name Markup":"(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium","IUPAC Name Preferred":"(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium","IUPAC Name Systematic":"(bis(oxidanyl)-oxidanylidene-vanadio)oxy-bis(oxidanyl)-oxidanylidene-vanadium","IUPAC Name Traditional":"(dihydroxy(keto)vanadio)oxy-dihydroxy-keto-vanadium",InChI:"1S/4H2O.3O.2V/h4*1H2;;;;;/q;;;;;;;2*+2/p-4",InChIKey:"RHPALCDCMASSQL-UHFFFAOYSA-J","Exact Mass":217.883616,"Molecular Formula":"H4O7V2","Molecular Weight":217.91,"Monoisotopic Mass":217.883616,Charge:0,"Easy Name":" (dihydroxy (oxo)vanadio)oxy-dihydroxy-oxovanadium","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H4O7V2"},5462836:{PUBCHEM:{CID:"5462836","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);diiodide","IUPAC Name CAS-like Style":"Barium(2+);diiodide","IUPAC Name Markup":"Barium(2+);diiodide","IUPAC Name Preferred":"Barium(2+);diiodide","IUPAC Name Systematic":"Barium(2+);diiodide","IUPAC Name Traditional":"Barium(2+);diiodide",InChI:"1S/Ba.2HI/h;2*1H/q+2;;/p-2",InChIKey:"SGUXGJPBTNFBAD-UHFFFAOYSA-L","Exact Mass":391.71419,"Molecular Formula":"BaI2","Molecular Weight":391.14,"Monoisotopic Mass":391.71419,Charge:0,"Easy Name":"Barium iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1I2"},5462838:{PUBCHEM:{CID:"5462838","Compound Complexity":19.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(E)-difluorodiazene","IUPAC Name CAS-like Style":"(E)-difluorodiazene","IUPAC Name Markup":"(E)-difluorodiazene","IUPAC Name Preferred":"(E)-difluorodiazene","IUPAC Name Systematic":"(E)-bis(fluoranyl)diazene","IUPAC Name Traditional":"(E)-difluorodiazene",InChI:"1S/F2N2/c1-3-4-2/b4-3+",InChIKey:"DUQAODNTUBJRGF-ONEGZZNKSA-N","Log P":1.4,"Exact Mass":66.00295433,"Molecular Formula":"F2N2","Molecular Weight":66.011,"Monoisotopic Mass":66.00295433,Charge:0,"Easy Name":" (E)-Difluorodiazene","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F2N2"},5463523:{PUBCHEM:{CID:"5463523","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);difluoride","IUPAC Name CAS-like Style":"Barium(2+);difluoride","IUPAC Name Markup":"Barium(2+);difluoride","IUPAC Name Preferred":"Barium(2+);difluoride","IUPAC Name Systematic":"Barium(2+);difluoride","IUPAC Name Traditional":"Barium(2+);difluoride",InChI:"1S/Ba.2FH/h;2*1H/q+2;;/p-2",InChIKey:"OYLGJCQECKOTOL-UHFFFAOYSA-L","Exact Mass":175.902054,"Molecular Formula":"BaF2","Molecular Weight":175.32,"Monoisotopic Mass":175.902054,Charge:0,"Easy Name":"Barium fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1F2"},5463599:{PUBCHEM:{CID:"5463599","Compound Complexity":62.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclooctene","IUPAC Name CAS-like Style":"Cyclooctene","IUPAC Name Markup":"Cyclooctene","IUPAC Name Preferred":"Cyclooctene","IUPAC Name Systematic":"Cyclooctene","IUPAC Name Traditional":"Cyclooctene",InChI:"1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1+",InChIKey:"URYYVOIYTNXXBN-OWOJBTEDSA-N","Log P":3.5,"Exact Mass":110.10955045,"Molecular Formula":"C8H14","Molecular Weight":110.2,"Monoisotopic Mass":110.10955045,Charge:0,"Easy Name":"Trans-Cyclooctene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C8H14"},5463917:{PUBCHEM:{CID:"5463917","Compound Complexity":46.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(dioxo)vanadium","IUPAC Name CAS-like Style":"Hydroxy(dioxo)vanadium","IUPAC Name Markup":"Hydroxy(dioxo)vanadium","IUPAC Name Preferred":"Hydroxy(dioxo)vanadium","IUPAC Name Systematic":"Oxidanyl-bis(oxidanylidene)vanadium","IUPAC Name Traditional":"Hydroxy(diketo)vanadium",InChI:"1S/H2O.2O.V/h1H2;;;/q;;;+1/p-1",InChIKey:"XDBSEZHMWGHVIL-UHFFFAOYSA-M","Exact Mass":99.936526,"Molecular Formula":"HO3V","Molecular Weight":99.948,"Monoisotopic Mass":99.936526,Charge:0,"Easy Name":"Hydroxy (dioxo)vanadium","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H1O3V1"},5464034:{PUBCHEM:{CID:"5464034","Compound Complexity":46.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(dioxo)-lambda5-stibane","IUPAC Name CAS-like Style":"Hydroxy(dioxo)stiborane","IUPAC Name Markup":"Hydroxy(dioxo)-λ5-stibane","IUPAC Name Preferred":"Hydroxy(dioxo)-lambda5-stibane","IUPAC Name Systematic":"Oxidanyl-bis(oxidanylidene)-lambda5-stibane","IUPAC Name Traditional":"Hydroxy(diketo)stiborane",InChI:"1S/H2O.2O.Sb/h1H2;;;/q;;;+1/p-1",InChIKey:"RQQCGSNBDOOLCK-UHFFFAOYSA-M","Exact Mass":169.89638,"Molecular Formula":"HO3Sb","Molecular Weight":170.77,"Monoisotopic Mass":169.89638,Charge:0,"Easy Name":"Hydroxy (oxo)stibine oxide","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H1O3Sb1"},5464076:{PUBCHEM:{CID:"5464076","Compound Complexity":910,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"(2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazono]-1,3-benzothiazole-6-sulfonic acid","IUPAC Name CAS-like Style":"(2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid","IUPAC Name Markup":"(2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid","IUPAC Name Preferred":"(2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid","IUPAC Name Systematic":"(2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid","IUPAC Name Traditional":"(2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazono]-1,3-benzothiazole-6-sulfonic acid",InChI:"1S/C18H18N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)/b19-17-,20-18+",InChIKey:"ZTOJFFHGPLIVKC-YAFCTCPESA-N","Log P":2.5,"Exact Mass":514.01091901,"Molecular Formula":"C18H18N4O6S4","Molecular Weight":514.6,"Monoisotopic Mass":514.01091901,Charge:0,"Easy Name":"ABTS","Easy Category":"Sulfonic acid"},HSDB:{},ReducedFormula:"C18H18N4O6S4"},5464136:{PUBCHEM:{CID:"5464136","Compound Complexity":926,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"2-[2-[(E)-N-[(Z)-(6-oxo-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-C-phenyl-carbonimidoyl]hydrazino]benzoic acid","IUPAC Name CAS-like Style":"2-[[(E)-[(Z)-(6-oxo-3-sulfo-1-cyclohexa-2,4-dienylidene)hydrazinylidene]-phenylmethyl]hydrazo]benzoic acid","IUPAC Name Markup":"2-[2-[(E)-N-[(Z)-(6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)amino]-C-phenylcarbonimidoyl]hydrazinyl]benzoic acid","IUPAC Name Preferred":"2-[2-[(E)-N-[(Z)-(6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)amino]-C-phenylcarbonimidoyl]hydrazinyl]benzoic acid","IUPAC Name Systematic":"2-[2-[(E)-N-[(Z)-(6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-C-phenyl-carbonimidoyl]hydrazinyl]benzoic acid","IUPAC Name Traditional":"2-[N'-[(E)-N-[(Z)-(6-keto-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-C-phenyl-carbonimidoyl]hydrazino]benzoic acid",InChI:"1S/C20H16N4O6S/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27/h1-12,21H,(H,23,24)(H,26,27)(H,28,29,30)/b22-17-",InChIKey:"KYUQWEINLPZOTJ-XLNRJJMWSA-N","Log P":2.5,"Exact Mass":440.07905543,"Molecular Formula":"C20H16N4O6S","Molecular Weight":440.4,"Monoisotopic Mass":440.07905543,Charge:0,"Easy Name":"Zincon","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C20H16N4O6S1"},5464170:{PUBCHEM:{CID:"5464170","Compound Complexity":549,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-chromen-4-one","IUPAC Name CAS-like Style":"5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-1-benzopyran-4-one","IUPAC Name Markup":"5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one","IUPAC Name Preferred":"5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one","IUPAC Name Systematic":"3-(3,4-dimethoxy-5-oxidanyl-phenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-chromone",InChI:"1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3",InChIKey:"TUGWPJJTQNLKCL-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":360.08451747,"Molecular Formula":"C18H16O8","Molecular Weight":360.3,"Monoisotopic Mass":360.08451747,Charge:0,"Easy Name":"Irigenin","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C18H16O8"},5464362:{PUBCHEM:{CID:"5464362","Compound Complexity":1270,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"Disodium;(3Z)-3-[(4-amino-3-sulfonato-phenyl)-(4-amino-3-sulfo-phenyl)methylene]-6-imino-5-methyl-cyclohexa-1,4-diene-1-sulfonate","IUPAC Name CAS-like Style":"Disodium;(3Z)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methyl-1-cyclohexa-1,4-dienesulfonate","IUPAC Name Markup":"Disodium;(3Z)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate","IUPAC Name Preferred":"Disodium;(3Z)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate","IUPAC Name Systematic":"Disodium;(3Z)-6-azanylidene-3-[(4-azanyl-3-sulfonato-phenyl)-(4-azanyl-3-sulfo-phenyl)methylidene]-5-methyl-cyclohexa-1,4-diene-1-sulfonate","IUPAC Name Traditional":"Disodium;(3Z)-3-[(4-amino-3-sulfonato-phenyl)-(4-amino-3-sulfo-phenyl)methylene]-6-imino-5-methyl-cyclohexa-1,4-diene-1-sulfonate",InChI:"1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",InChIKey:"WZRZTHMJPHPAMU-UHFFFAOYSA-L","Exact Mass":584.99223123,"Molecular Formula":"C20H17N3Na2O9S3","Molecular Weight":585.5,"Monoisotopic Mass":584.99223123,Charge:0,"Easy Name":"Acid fuchsin","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C20H17N3Na2O9S3"},5464587:{PUBCHEM:{CID:"5464587","Compound Complexity":3050,"Hydrogen Bond Acceptor":29,"Hydrogen Bond Donor":4,"Rotatable Bond":10,"IUPAC Name Allowed":"Hexasodium;(3Z)-4-oxo-7-[[(6Z)-5-oxo-7-sulfonato-6-[[2-sulfonato-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]-2-naphthyl]carbamoylamino]-3-[[2-sulfonato-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate","IUPAC Name CAS-like Style":"Hexasodium;(3Z)-4-oxo-7-[[oxo-[[(6Z)-5-oxo-7-sulfonato-6-[[2-sulfonato-4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-2-naphthalenyl]amino]methyl]amino]-3-[[2-sulfonato-4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-2-naphthalenesulfonate","IUPAC Name Markup":"Hexasodium;(3Z)-4-oxo-7-[[(6Z)-5-oxo-7-sulfonato-6-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-yl]carbamoylamino]-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate","IUPAC Name Preferred":"Hexasodium;(3Z)-4-oxo-7-[[(6Z)-5-oxo-7-sulfonato-6-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-yl]carbamoylamino]-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate","IUPAC Name Systematic":"Hexasodium;(3Z)-4-oxidanylidene-7-[[(6Z)-5-oxidanylidene-7-sulfonato-6-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-yl]carbamoylamino]-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate","IUPAC Name Traditional":"Hexasodium;(3Z)-4-keto-7-[[(6Z)-5-keto-7-sulfonato-6-[[2-sulfonato-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]-2-naphthyl]carbamoylamino]-3-[[2-sulfonato-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate",InChI:"1S/C45H32N10O21S6.6Na/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64;;;;;;/h1-22,52-53H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;/q;6*+1/p-6/b50-48?,51-49?,54-41+,55-42+;;;;;;",InChIKey:"LDCKXVAPQFUIOI-FDOILTRXSA-H","Exact Mass":1371.8984406,"Molecular Formula":"C45H26N10Na6O21S6","Molecular Weight":1373.1,"Monoisotopic Mass":1371.8984406,Charge:0,"Easy Name":"Sirius Red","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C45H26N10Na6O21S6"},5465112:{PUBCHEM:{CID:"5465112","Compound Complexity":81.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(dioxo)uranium","IUPAC Name CAS-like Style":"Dihydroxy(dioxo)uranium","IUPAC Name Markup":"Dihydroxy(dioxo)uranium","IUPAC Name Preferred":"Dihydroxy(dioxo)uranium","IUPAC Name Systematic":"Bis(oxidanyl)-bis(oxidanylidene)uranium","IUPAC Name Traditional":"Dihydroxy(diketo)uranium",InChI:"1S/2H2O.2O.U/h2*1H2;;;/q;;;;+2/p-2",InChIKey:"VWIQIIGYDAPONF-UHFFFAOYSA-L","Exact Mass":304.0461,"Molecular Formula":"H2O4U","Molecular Weight":304.042,"Monoisotopic Mass":304.0461,Charge:0,"Easy Name":"Uranyl hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2O4U1"},5474737:{PUBCHEM:{CID:"5474737","Compound Complexity":371,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(4Z)-3-hydroxy-4-(2-pyridylhydrazono)cyclohexa-2,5-dien-1-one","IUPAC Name CAS-like Style":"(4Z)-3-hydroxy-4-(2-pyridinylhydrazinylidene)-1-cyclohexa-2,5-dienone","IUPAC Name Markup":"(4Z)-3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one","IUPAC Name Preferred":"(4Z)-3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one","IUPAC Name Systematic":"(4Z)-3-oxidanyl-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one","IUPAC Name Traditional":"(4Z)-3-hydroxy-4-(2-pyridylhydrazono)cyclohexa-2,5-dien-1-one",InChI:"1S/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,16H,(H,12,14)/b13-9-",InChIKey:"VLCAILLZPUINNF-LCYFTJDESA-N","Log P":1.3,"Exact Mass":215.06947654,"Molecular Formula":"C11H9N3O2","Molecular Weight":215.21,"Monoisotopic Mass":215.06947654,Charge:0,"Easy Name":"4- (2-Pyridylazo)resorcinol","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C11H9N3O2"},5479610:{PUBCHEM:{CID:"5479610","Compound Complexity":474,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"N'-[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide","IUPAC Name CAS-like Style":"N'-[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-pyridinecarbohydrazide","IUPAC Name Markup":"N'-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide","IUPAC Name Preferred":"N'-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide","IUPAC Name Systematic":"N'-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide","IUPAC Name Traditional":"N'-[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]isonicotinohydrazide",InChI:"1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,16H,1H3,(H,17,19)/b10-9+",InChIKey:"CJSGMFAJXWRZCL-MDZDMXLPSA-N","Log P":1.1,"Exact Mass":271.09569129,"Molecular Formula":"C14H13N3O3","Molecular Weight":271.27,"Monoisotopic Mass":271.09569129,Charge:0,"Easy Name":"Ftivazide","Easy Category":"Hydrazide"},HSDB:{},ReducedFormula:"C14H13N3O3"},5480977:{PUBCHEM:{CID:"5480977","Compound Complexity":960,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"3-(11,16-diethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19,21-undecaen-22-yl)propanoic acid","IUPAC Name CAS-like Style":"3-(11,16-diethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19,21-undecaen-22-yl)propanoic acid","IUPAC Name Markup":"3-(11,16-diethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19,21-undecaen-22-yl)propanoic acid","IUPAC Name Preferred":"3-(11,16-diethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19,21-undecaen-22-yl)propanoic acid","IUPAC Name Systematic":"3-(11,16-diethyl-12,17,21,26-tetramethyl-4-oxidanylidene-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19,21-undecaen-22-yl)propanoic acid","IUPAC Name Traditional":"3-(11,16-diethyl-4-keto-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19,21-undecaen-22-yl)propionic acid",InChI:"1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h12-14,34-35H,7-11H2,1-6H3,(H,39,40)",InChIKey:"USUXZIXOWFMLFE-UHFFFAOYSA-N","Log P":4.5,"Exact Mass":534.26309097,"Molecular Formula":"C33H34N4O3","Molecular Weight":534.6,"Monoisotopic Mass":534.26309097,Charge:0,"Easy Name":"Phytoporphyrin","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"C33H34N4O3"},5481970:{PUBCHEM:{CID:"5481970","Compound Complexity":447,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one","IUPAC Name CAS-like Style":"2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one","IUPAC Name Markup":"2-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","IUPAC Name Preferred":"2-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","IUPAC Name Systematic":"2-[2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-chromone",InChI:"1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H",InChIKey:"ZSYPIPFQOQGYHH-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":286.04773804,"Molecular Formula":"C15H10O6","Molecular Weight":286.24,"Monoisotopic Mass":286.04773804,Charge:0,"Easy Name":"Norartocarpetin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H10O6"},5483847:{PUBCHEM:{CID:"5483847","Compound Complexity":352,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridyl)oxy]phenoxy]propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid","IUPAC Name Markup":"(2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid","IUPAC Name Preferred":"(2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid","IUPAC Name Systematic":"(2R)-2-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenoxy]propanoic acid","IUPAC Name Traditional":"(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridyl)oxy]phenoxy]propionic acid",InChI:"1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1",InChIKey:"YUIKUTLBPMDDNQ-MRVPVSSYSA-N","Log P":3.4,"Exact Mass":311.0360637,"Molecular Formula":"C14H11ClFNO4","Molecular Weight":311.69,"Monoisotopic Mass":311.0360637,Charge:0,"Easy Name":" (2R)-2-[4- (5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C14Cl1F1H11N1O4"},5484370:{PUBCHEM:{CID:"5484370","Compound Complexity":755,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(7Z)-7-(1-naphthylhydrazono)-8-oxo-quinoline-5-sulfonic acid","IUPAC Name CAS-like Style":"(7Z)-7-(1-naphthalenylhydrazinylidene)-8-oxo-5-quinolinesulfonic acid","IUPAC Name Markup":"(7Z)-7-(naphthalen-1-ylhydrazinylidene)-8-oxoquinoline-5-sulfonic acid","IUPAC Name Preferred":"(7Z)-7-(naphthalen-1-ylhydrazinylidene)-8-oxoquinoline-5-sulfonic acid","IUPAC Name Systematic":"(7Z)-7-(naphthalen-1-ylhydrazinylidene)-8-oxidanylidene-quinoline-5-sulfonic acid","IUPAC Name Traditional":"(7Z)-8-keto-7-(1-naphthylhydrazono)quinoline-5-sulfonic acid",InChI:"1S/C19H13N3O4S/c23-19-16(11-17(27(24,25)26)14-8-4-10-20-18(14)19)22-21-15-9-3-6-12-5-1-2-7-13(12)15/h1-11,21H,(H,24,25,26)/b22-16-",InChIKey:"ZQXBFRSVNIWZDZ-JWGURIENSA-N","Log P":2.6,"Exact Mass":379.06267709,"Molecular Formula":"C19H13N3O4S","Molecular Weight":379.4,"Monoisotopic Mass":379.06267709,Charge:0,"Easy Name":"Naphthylazoxine","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C19H13N3O4S1"},5484634:{PUBCHEM:{CID:"5484634","Compound Complexity":1510,"Hydrogen Bond Acceptor":17,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"Tetrasodium;(3Z)-5-hydroxy-3-[(8-hydroxy-3,6-disulfonato-1-naphthyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate","IUPAC Name CAS-like Style":"Tetrasodium;(3Z)-5-hydroxy-3-[(8-hydroxy-3,6-disulfonato-1-naphthalenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Markup":"Tetrasodium;(3Z)-5-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Preferred":"Tetrasodium;(3Z)-5-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Systematic":"Tetrasodium;(3Z)-5-oxidanyl-3-[(8-oxidanyl-3,6-disulfonato-naphthalen-1-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate","IUPAC Name Traditional":"Tetrasodium;(3Z)-5-hydroxy-3-[(8-hydroxy-3,6-disulfonato-1-naphthyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate",InChI:"1S/C20H14N2O15S4.4Na/c23-14-6-11(39(29,30)31)2-8-1-10(38(26,27)28)5-13(17(8)14)21-22-19-16(41(35,36)37)4-9-3-12(40(32,33)34)7-15(24)18(9)20(19)25;;;;/h1-7,21,23-24H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;4*+1/p-4/b22-19+;;;;",InChIKey:"CBWXTVSARCWSMJ-CMQJEFONSA-J","Exact Mass":737.85547945,"Molecular Formula":"C20H10N2Na4O15S4","Molecular Weight":738.5,"Monoisotopic Mass":737.85547945,Charge:0,"Easy Name":"Beryllon II","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"C20H10N2Na4O15S4"},5485199:{PUBCHEM:{CID:"5485199","Compound Complexity":1410,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":10,"Rotatable Bond":19,"IUPAC Name Allowed":"(2S)-N-[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide","IUPAC Name CAS-like Style":"(2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxamide","IUPAC Name Markup":"(2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide","IUPAC Name Preferred":"(2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide","IUPAC Name Systematic":"(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide","IUPAC Name Traditional":"(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]-N-[(1S)-2-amino-2-keto-1-methylol-ethyl]pyrrolidine-2-carboxamide",InChI:"1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1",InChIKey:"FHZPGIUBXYVUOY-VWGYHWLBSA-N","Log P":0,"Exact Mass":802.36498984,"Molecular Formula":"C40H50N8O10","Molecular Weight":802.9,"Monoisotopic Mass":802.36498984,Charge:0,"Easy Name":"Dermorphin","Easy Category":"Peptide"},HSDB:{},ReducedFormula:"C40H50N8O10"},5486616:{PUBCHEM:{CID:"5486616","Compound Complexity":212,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"(1R,2S,5R)-2-methyl-5-[(1R)-1-methyl-2-oxo-ethyl]cyclopentanecarboxylic acid","IUPAC Name CAS-like Style":"(1R,2S,5R)-2-methyl-5-[(2R)-1-oxopropan-2-yl]-1-cyclopentanecarboxylic acid","IUPAC Name Markup":"(1R,2S,5R)-2-methyl-5-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid","IUPAC Name Preferred":"(1R,2S,5R)-2-methyl-5-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid","IUPAC Name Systematic":"(1R,2S,5R)-2-methyl-5-[(2R)-1-oxidanylidenepropan-2-yl]cyclopentane-1-carboxylic acid","IUPAC Name Traditional":"(1R,2R,5S)-2-[(1R)-2-keto-1-methyl-ethyl]-5-methyl-cyclopentanecarboxylic acid",InChI:"1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)/t6-,7-,8+,9+/m0/s1",InChIKey:"RGTMAXSVLBZNEL-RBXMUDONSA-N","Log P":1.7,"Exact Mass":184.10994437,"Molecular Formula":"C10H16O3","Molecular Weight":184.23,"Monoisotopic Mass":184.10994437,Charge:0,"Easy Name":"Nepetalic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O3"},5486699:{PUBCHEM:{CID:"5486699","Compound Complexity":1170,"Hydrogen Bond Acceptor":19,"Hydrogen Bond Donor":10,"Rotatable Bond":15,"IUPAC Name Allowed":"2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one","IUPAC Name CAS-like Style":"2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one","IUPAC Name Markup":"2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","IUPAC Name Preferred":"2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(2-hydroxyethyloxy)phenyl]-7-(2-hydroxyethyloxy)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one","IUPAC Name Traditional":"2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone",InChI:"1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1",InChIKey:"IYVFNTXFRYQLRP-VVSTWUKXSA-N","Log P":-2.4,"Exact Mass":742.23202913,"Molecular Formula":"C33H42O19","Molecular Weight":742.7,"Monoisotopic Mass":742.23202913,Charge:0,"Easy Name":"Troxerutin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C33H42O19"},5488765:{PUBCHEM:{CID:"5488765","Compound Complexity":3190,"Hydrogen Bond Acceptor":30,"Hydrogen Bond Donor":26,"Rotatable Bond":52,"IUPAC Name Allowed":"(4S)-5-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1R)-2-[[(1S,2S)-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-[[(1R)-2-[[(1S,2R)-1-[[2-[[(1R)-1-carboxy-2-sulfanyl-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-carboxy-propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-4-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid","IUPAC Name CAS-like Style":"(4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[2-[[(1R)-1-carboxy-2-mercaptoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-5-oxopentanoic acid","IUPAC Name Markup":"(4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid","IUPAC Name Preferred":"(4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid","IUPAC Name Systematic":"(4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-4-azanyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]ethyl]amino]butan-2-yl]amino]-3-sulfanyl-propan-2-yl]amino]propan-2-yl]amino]butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid","IUPAC Name Traditional":"(4S)-5-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1R)-2-[[(1S,2S)-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-[[(1R)-2-[[(1S,2R)-1-[[2-[[(1R)-1-carboxy-2-mercapto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-keto-propyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-carboxy-propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-1-(carboxymethyl)-2-keto-ethyl]amino]-4-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-5-keto-valeric acid",InChI:"1S/C61H101N17O25S4/c1-9-26(6)46(60(101)72-33(17-40(64)81)54(95)76-45(25(4)5)59(100)66-27(7)48(89)73-36(21-105)57(98)78-47(28(8)79)58(99)65-19-41(82)67-38(23-107)61(102)103)77-56(97)37(22-106)75-52(93)32(16-24(2)3)70-51(92)31(12-15-43(85)86)69-55(96)35(20-104)74-53(94)34(18-44(87)88)71-50(91)30(11-14-42(83)84)68-49(90)29(62)10-13-39(63)80/h24-38,45-47,79,104-107H,9-23,62H2,1-8H3,(H2,63,80)(H2,64,81)(H,65,99)(H,66,100)(H,67,82)(H,68,90)(H,69,96)(H,70,92)(H,71,91)(H,72,101)(H,73,89)(H,74,94)(H,75,93)(H,76,95)(H,77,97)(H,78,98)(H,83,84)(H,85,86)(H,87,88)(H,102,103)/t26-,27-,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,45-,46-,47-/m0/s1",InChIKey:"SJMPVWVIVWEWJK-AXEIBBKLSA-N","Log P":-8.8,"Exact Mass":1599.6037365,"Molecular Formula":"C61H101N17O25S4","Molecular Weight":1600.8,"Monoisotopic Mass":1599.6037365,Charge:0,"Easy Name":"Uroguanylin","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C61H101N17O25S4"},5490064:{PUBCHEM:{CID:"5490064","Compound Complexity":711,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":7,"Rotatable Bond":4,"IUPAC Name Allowed":"3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one","IUPAC Name CAS-like Style":"3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one","IUPAC Name Markup":"3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","IUPAC Name Preferred":"3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","IUPAC Name Systematic":"2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one","IUPAC Name Traditional":"3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone",InChI:"1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",InChIKey:"BDCDNTVZSILEOY-UXYNSRGZSA-N","Log P":1,"Exact Mass":434.0849114,"Molecular Formula":"C20H18O11","Molecular Weight":434.3,"Monoisotopic Mass":434.0849114,Charge:0,"Easy Name":"Avicularin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C20H18O11"},5491798:{PUBCHEM:{CID:"5491798","Compound Complexity":482,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"3,5-dihydroxy-7,8-dimethoxy-2-phenyl-chromen-4-one","IUPAC Name CAS-like Style":"3,5-dihydroxy-7,8-dimethoxy-2-phenyl-1-benzopyran-4-one","IUPAC Name Markup":"3,5-dihydroxy-7,8-dimethoxy-2-phenylchromen-4-one","IUPAC Name Preferred":"3,5-dihydroxy-7,8-dimethoxy-2-phenylchromen-4-one","IUPAC Name Systematic":"7,8-dimethoxy-3,5-bis(oxidanyl)-2-phenyl-chromen-4-one","IUPAC Name Traditional":"3,5-dihydroxy-7,8-dimethoxy-2-phenyl-chromone",InChI:"1S/C17H14O6/c1-21-11-8-10(18)12-13(19)14(20)15(9-6-4-3-5-7-9)23-17(12)16(11)22-2/h3-8,18,20H,1-2H3",InChIKey:"CILMBWBPHLLNEH-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":314.07903817,"Molecular Formula":"C17H14O6","Molecular Weight":314.29,"Monoisotopic Mass":314.07903817,Charge:0,"Easy Name":"Gnaphaliin B","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C17H14O6"},5497163:{PUBCHEM:{CID:"5497163","Compound Complexity":1010,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":53,"IUPAC Name Allowed":"2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate","IUPAC Name CAS-like Style":"(Z)-9-octadecenoic acid 2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl ester","IUPAC Name Markup":"2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate","IUPAC Name Preferred":"2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate","IUPAC Name Systematic":"2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate","IUPAC Name Traditional":"(Z)-octadec-9-enoic acid 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl ester",InChI:"1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-",InChIKey:"PHYFQTYBJUILEZ-IUPFWZBJSA-N","Log P":22.4,"Exact Mass":884.78329107,"Molecular Formula":"C57H104O6","Molecular Weight":885.4,"Monoisotopic Mass":884.78329107,Charge:0,"Easy Name":"Triolein","Easy Category":"Triglyceride"},HSDB:{"Boiling Point":{Value:"237 °C at 18 atm"},"Color And Form":{Value:"Colorless to yellowish, oily liquid"},"Critical Temperature And Pressure":{Value:"Critical temperature: 1640 K (est); critical pressure: 470000 Pa (est)"},Density:{Value:"0.915 at 15 °C/4 °C"},"Melting Point":{Value:"-4 °C"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.4676 at 20 °C/D; 1.4561 at 60 °C/D"},Solubility:{Value:"Insoluble in water"},Taste:{Value:"Tasteless"},Uses:{Value:"Textile lubricants"},"Vapor Pressure":{Value:"1.15X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C57H104O6"},5702671:{PUBCHEM:{CID:"5702671","Compound Complexity":1600,"Hydrogen Bond Acceptor":18,"Hydrogen Bond Donor":8,"Rotatable Bond":8,"IUPAC Name Allowed":"(3Z,6Z)-3,6-bis[(2-arsonophenyl)hydrazono]-4,5-dioxo-naphthalene-2,7-disulfonic acid","IUPAC Name CAS-like Style":"(3Z,6Z)-3,6-bis[(2-arsonophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid","IUPAC Name Markup":"(3Z,6Z)-3,6-bis[(2-arsonophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid","IUPAC Name Preferred":"(3Z,6Z)-3,6-bis[(2-arsonophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid","IUPAC Name Systematic":"(3Z,6Z)-3,6-bis[(2-arsonophenyl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonic acid","IUPAC Name Traditional":"(3Z,6Z)-3,6-bis[(2-arsonophenyl)hydrazono]-4,5-diketo-naphthalene-2,7-disulfonic acid",InChI:"1S/C22H18As2N4O14S2/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36/h1-10,25-26H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)/b27-19+,28-20+",InChIKey:"TVMZRHVOFZTNET-MKYUKRCKSA-N","Exact Mass":775.86928,"Molecular Formula":"C22H18As2N4O14S2","Molecular Weight":776.4,"Monoisotopic Mass":775.86928,Charge:0,"Easy Name":"Arsenazo III","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"As2C22H18N4O14S2"},5702759:{PUBCHEM:{CID:"5702759","Compound Complexity":381,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline;iodide","IUPAC Name CAS-like Style":"4-[(E)-2-(1-ethyl-2-quinolin-1-iumyl)ethenyl]-N,N-dimethylaniline;iodide","IUPAC Name Markup":"4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline;iodide","IUPAC Name Preferred":"4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline;iodide","IUPAC Name Systematic":"4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline;iodide","IUPAC Name Traditional":"[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)vinyl]phenyl]-dimethyl-amine;iodide",InChI:"1S/C21H23N2.HI/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3;/h5-16H,4H2,1-3H3;1H/q+1;/p-1",InChIKey:"JOLANDVPGMEGLK-UHFFFAOYSA-M","Exact Mass":430.0906,"Molecular Formula":"C21H23IN2","Molecular Weight":430.3,"Monoisotopic Mass":430.0906,Charge:0,"Easy Name":"Quinaldine red","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C21H23I1N2"},5706735:{PUBCHEM:{CID:"5706735","Compound Complexity":1210,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":36,"IUPAC Name Allowed":"2-[(E,3Z)-3-(3,3-dimethyl-1-octadecyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-1-octadecyl-indol-1-ium;perchlorate","IUPAC Name CAS-like Style":"(2Z)-2-[(E)-3-(3,3-dimethyl-1-octadecyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole;perchlorate","IUPAC Name Markup":"(2Z)-2-[(E)-3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole;perchlorate","IUPAC Name Preferred":"(2Z)-2-[(E)-3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole;perchlorate","IUPAC Name Systematic":"(2Z)-2-[(E)-3-(3,3-dimethyl-1-octadecyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecyl-indole;perchlorate","IUPAC Name Traditional":"2-[(E,3Z)-3-(3,3-dimethyl-1-stearyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-1-stearyl-indol-1-ium;perchlorate",InChI:"1S/C59H97N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3;(H,2,3,4,5)/q+1;/p-1",InChIKey:"JVXZRNYCRFIEGV-UHFFFAOYSA-M","Exact Mass":932.7136873,"Molecular Formula":"C59H97ClN2O4","Molecular Weight":933.9,"Monoisotopic Mass":932.7136873,Charge:0,"Easy Name":"DiI","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C59Cl1H97N2O4"},5748353:{PUBCHEM:{CID:"5748353","Compound Complexity":239,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":6,"IUPAC Name Allowed":"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid","IUPAC Name CAS-like Style":"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid","IUPAC Name Markup":"3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid","IUPAC Name Preferred":"3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid","IUPAC Name Systematic":"3-[[(2S)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid","IUPAC Name Traditional":"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionic acid",InChI:"1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m1/s1",InChIKey:"GHOKWGTUZJEAQD-SSDOTTSWSA-N","Log P":-1.1,"Exact Mass":219.11067265,"Molecular Formula":"C9H17NO5","Molecular Weight":219.23,"Monoisotopic Mass":219.11067265,Charge:0,"Easy Name":"3-[[ (2S)-2, 4-dihydroxy-3, 3-dimethylbutanoyl]amino]propanoic acid","Easy Category":"Peptide"},HSDB:{"Color And Form":{Value:"Yellow viscous oil"},Solubility:{Value:"Very soluble in water, benzene, ethyl ether"},Uses:{Value:"... Commonly included in multivitamin preparations and in products for enteral and parenteral alimentation."},"Vapor Pressure":{Value:"5.14X10-9 mm Hg at 25 °C (est)"}},ReducedFormula:"C9H17N1O5"},5748551:{PUBCHEM:{CID:"5748551","Compound Complexity":424,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-chromen-4-one","IUPAC Name CAS-like Style":"7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-1-benzopyran-4-one","IUPAC Name Markup":"7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one","IUPAC Name Preferred":"7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one","IUPAC Name Systematic":"3-(4-hydroxyphenyl)-5-methoxy-7-oxidanyl-chromen-4-one","IUPAC Name Traditional":"7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-chromone",InChI:"1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",InChIKey:"YSINCDVRUMTOPK-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":284.06847348,"Molecular Formula":"C16H12O5","Molecular Weight":284.26,"Monoisotopic Mass":284.06847348,Charge:0,"Easy Name":"5-O-Methylgenistein","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C16H12O5"},5809936:{PUBCHEM:{CID:"5809936","Compound Complexity":454,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(1Z)-1-[(2,4-dimethylphenyl)hydrazono]naphthalen-2-one","IUPAC Name CAS-like Style":"(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]-2-naphthalenone","IUPAC Name Markup":"(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one","IUPAC Name Preferred":"(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one","IUPAC Name Systematic":"(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one","IUPAC Name Traditional":"(1Z)-1-[(2,4-dimethylphenyl)hydrazono]naphthalen-2-one",InChI:"1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,19H,1-2H3/b20-18-",InChIKey:"YPXOPAFVVHXQDP-ZZEZOPTASA-N","Log P":4.4,"Exact Mass":276.12626314,"Molecular Formula":"C18H16N2O","Molecular Weight":276.3,"Monoisotopic Mass":276.12626314,Charge:0,"Easy Name":"Sudan II","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C18H16N2O1"},5841742:{PUBCHEM:{CID:"5841742","Compound Complexity":729,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(1Z)-1-[[4-(2,3-dimethylphenyl)azo-2,3-dimethyl-phenyl]hydrazono]naphthalen-2-one","IUPAC Name CAS-like Style":"(1Z)-1-[[4-(2,3-dimethylphenyl)azo-2,3-dimethylphenyl]hydrazinylidene]-2-naphthalenone","IUPAC Name Markup":"(1Z)-1-[[4-[(2,3-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]hydrazinylidene]naphthalen-2-one","IUPAC Name Preferred":"(1Z)-1-[[4-[(2,3-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]hydrazinylidene]naphthalen-2-one","IUPAC Name Systematic":"(1Z)-1-[[4-[(2,3-dimethylphenyl)diazenyl]-2,3-dimethyl-phenyl]hydrazinylidene]naphthalen-2-one","IUPAC Name Traditional":"(1Z)-1-[[4-(2,3-dimethylphenyl)azo-2,3-dimethyl-phenyl]hydrazono]naphthalen-2-one",InChI:"1S/C26H24N4O/c1-16-8-7-11-22(17(16)2)27-28-23-13-14-24(19(4)18(23)3)29-30-26-21-10-6-5-9-20(21)12-15-25(26)31/h5-15,29H,1-4H3/b28-27?,30-26-",InChIKey:"BKJHNBPQQXRTGO-LTFAAIOASA-N","Log P":6.9,"Exact Mass":408.19501141,"Molecular Formula":"C26H24N4O","Molecular Weight":408.5,"Monoisotopic Mass":408.19501141,Charge:0,"Easy Name":"Oil Red O","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C26H24N4O1"},5858445:{PUBCHEM:{CID:"5858445","Compound Complexity":394,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(1Z)-1-(phenylhydrazono)naphthalen-2-one","IUPAC Name CAS-like Style":"(1Z)-1-(phenylhydrazinylidene)-2-naphthalenone","IUPAC Name Markup":"(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one","IUPAC Name Preferred":"(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one","IUPAC Name Systematic":"(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one","IUPAC Name Traditional":"(1Z)-1-(phenylhydrazono)naphthalen-2-one",InChI:"1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,17H/b18-16-",InChIKey:"ZONYAPYTDIVJGG-VLGSPTGOSA-N","Log P":3.6,"Exact Mass":248.09496302,"Molecular Formula":"C16H12N2O","Molecular Weight":248.28,"Monoisotopic Mass":248.09496302,Charge:0,"Easy Name":"Sudan I","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C16H12N2O1"},5876571:{PUBCHEM:{CID:"5876571","Compound Complexity":670,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"(1Z)-1-[[2-methyl-4-(o-tolylazo)phenyl]hydrazono]naphthalen-2-one","IUPAC Name CAS-like Style":"(1Z)-1-[[2-methyl-4-(2-methylphenyl)azophenyl]hydrazinylidene]-2-naphthalenone","IUPAC Name Markup":"(1Z)-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-one","IUPAC Name Preferred":"(1Z)-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-one","IUPAC Name Systematic":"(1Z)-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-one","IUPAC Name Traditional":"(1Z)-1-[[2-methyl-4-(o-tolylazo)phenyl]hydrazono]naphthalen-2-one",InChI:"1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,27H,1-2H3/b26-25?,28-24-",InChIKey:"KMDLOETUWUPGMB-BXCCFQQFSA-N","Log P":6.1,"Exact Mass":380.16371128,"Molecular Formula":"C24H20N4O","Molecular Weight":380.4,"Monoisotopic Mass":380.16371128,Charge:0,"Easy Name":"Sudan IV","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C24H20N4O1"},5913459:{PUBCHEM:{CID:"5913459","Compound Complexity":583,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Sodium;4-[(2Z)-2-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonate","IUPAC Name CAS-like Style":"Sodium;4-[(2Z)-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonate","IUPAC Name Markup":"Sodium;4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate","IUPAC Name Preferred":"Sodium;4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate","IUPAC Name Systematic":"Sodium;4-[(2Z)-2-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate","IUPAC Name Traditional":"Sodium;4-[(N'Z)-N'-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylate",InChI:"1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,13,16H,(H,17,18,19);/q;+1/p-1/b14-11-;",InChIKey:"RBENMCXVZFIKFK-IRIIKGHASA-M","Exact Mass":316.01298685,"Molecular Formula":"C12H9N2NaO5S","Molecular Weight":316.27,"Monoisotopic Mass":316.01298685,Charge:0,"Easy Name":"Chrysoine resorcinol","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C12H9N2Na1O5S1"},5935070:{PUBCHEM:{CID:"5935070","Compound Complexity":777,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(4E)-9-(1,1-dimethylallyl)-4-(1H-imidazol-5-ylmethylene)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione","IUPAC Name CAS-like Style":"(4E)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione","IUPAC Name Markup":"(4E)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione","IUPAC Name Preferred":"(4E)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione","IUPAC Name Systematic":"(4E)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione","IUPAC Name Traditional":"(4E)-9-(1,1-dimethylallyl)-4-(1H-imidazol-5-ylmethylene)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-quinone",InChI:"1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+",InChIKey:"SPWSUFUPTSJWNG-CXUHLZMHSA-N","Log P":3,"Exact Mass":389.185175,"Molecular Formula":"C22H23N5O2","Molecular Weight":389.4,"Monoisotopic Mass":389.185175,Charge:0,"Easy Name":"Roquefortine C","Easy Category":"Alkaloid"},HSDB:{"Melting Point":{Value:"202-205 °C"},Uses:{Value:"Penicillium elaborated mycotoxins are well recognized as contaminants of many foods. These toxins, including mycophenolic acid (MPA), roquefortine (ROQ), penicillic acid (PA) and patulin (PAT) are reported to be toxic to several mammalian species."}},ReducedFormula:"C22H23N5O2"},6093816:{PUBCHEM:{CID:"6093816","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;dioxido(dioxo)molybdenum","IUPAC Name CAS-like Style":"Dipotassium;dioxido(dioxo)molybdenum","IUPAC Name Markup":"Dipotassium;dioxido(dioxo)molybdenum","IUPAC Name Preferred":"Dipotassium;dioxido(dioxo)molybdenum","IUPAC Name Systematic":"Dipotassium;bis(oxidanidyl)-bis(oxidanylidene)molybdenum","IUPAC Name Traditional":"Dipotassium;diketo(dioxido)molybdenum",InChI:"1S/2K.Mo.4O/q2*+1;;;;2*-1",InChIKey:"NUYGZETUIUXJCO-UHFFFAOYSA-N","Exact Mass":239.812475,"Molecular Formula":"K2MoO4","Molecular Weight":238.1,"Monoisotopic Mass":239.812475,Charge:0,"Easy Name":"Potassium molybdate (VI)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K2Mo1O4"},6095624:{PUBCHEM:{CID:"6095624","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dilithium;dioxido(dioxo)tungsten","IUPAC Name CAS-like Style":"Dilithium;dioxido(dioxo)tungsten","IUPAC Name Markup":"Dilithium;dioxido(dioxo)tungsten","IUPAC Name Preferred":"Dilithium;dioxido(dioxo)tungsten","IUPAC Name Systematic":"Dilithium;bis(oxidanidyl)-bis(oxidanylidene)tungsten","IUPAC Name Traditional":"Dilithium;diketo(dioxido)tungsten",InChI:"1S/2Li.4O.W/q2*+1;;;2*-1;",InChIKey:"SCKKBXOJPMZVPF-UHFFFAOYSA-N","Exact Mass":261.962599,"Molecular Formula":"Li2O4W","Molecular Weight":261.8,"Monoisotopic Mass":261.962599,Charge:0,"Easy Name":"Lithium tungstate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Li2O4W1"},6096187:{PUBCHEM:{CID:"6096187","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;hexafluorophosphate","IUPAC Name CAS-like Style":"Sodium;hexafluorophosphate","IUPAC Name Markup":"Sodium;hexafluorophosphate","IUPAC Name Preferred":"Sodium;hexafluorophosphate","IUPAC Name Systematic":"Sodium;hexafluorophosphate","IUPAC Name Traditional":"Sodium;hexafluorophosphate",InChI:"1S/F6P.Na/c1-7(2,3,4,5)6;/q-1;+1",InChIKey:"KMADQUOCJBLXRP-UHFFFAOYSA-N","Exact Mass":167.95395026,"Molecular Formula":"F6NaP","Molecular Weight":167.9539503,"Monoisotopic Mass":167.95395026,Charge:0,"Easy Name":"Sodium hexafluorophosphate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F6Na1P1"},6096946:{PUBCHEM:{CID:"6096946","Compound Complexity":82.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;dioxido-oxo-thioxo-lambda6-sulfane","IUPAC Name CAS-like Style":"Diammonium;dioxido-oxo-sulfanylidene-lambda6-sulfane","IUPAC Name Markup":"Diazanium;dioxido-oxo-sulfanylidene-λ6-sulfane","IUPAC Name Preferred":"Diazanium;dioxido-oxo-sulfanylidene-lambda6-sulfane","IUPAC Name Systematic":"Diazanium;bis(oxidanidyl)-oxidanylidene-sulfanylidene-lambda6-sulfane","IUPAC Name Traditional":"Diammonium;keto-dioxido-thioxo-lambda6-sulfane",InChI:"1S/2H3N.H2O3S2/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)",InChIKey:"XYXNTHIYBIDHGM-UHFFFAOYSA-N","Exact Mass":147.99763447,"Molecular Formula":"H8N2O3S2","Molecular Weight":148.21,"Monoisotopic Mass":147.99763447,Charge:0,"Easy Name":"Ammonium thiosulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"COLORLESS, MONOCLINIC CRYSTALS"},Density:{Value:"1.679"},"Melting Point":{Value:"150 °C (DECOMP)"},Odor:{Value:"AMMONIA ODOR"},pH:{Value:"6.5-7.0 (60% soln)"},Solubility:{Value:"VERY SOL IN COLD WATER; IN 100 CC OF WATER: 103.3 G @ 100 °C; SLIGHTLY SOL IN ACETONE"},Uses:{Value:'TO CLEAN "WHITE" METAL; IN PHOTOGRAPHY; IN LUBRICANTS FOR METAL COLD-WORKING.'}},ReducedFormula:"H8N2O3S2"},6096957:{PUBCHEM:{CID:"6096957","Compound Complexity":46.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);hydrogen phosphate","IUPAC Name CAS-like Style":"Barium(2+);hydrogen phosphate","IUPAC Name Markup":"Barium(2+);hydrogen phosphate","IUPAC Name Preferred":"Barium(2+);hydrogen phosphate","IUPAC Name Systematic":"Barium(2+);hydrogen phosphate","IUPAC Name Traditional":"Barium(2+);hydrogen phosphate",InChI:"1S/Ba.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2",InChIKey:"LYSTYSFIGYAXTG-UHFFFAOYSA-L","Exact Mass":233.866493,"Molecular Formula":"BaHO4P","Molecular Weight":233.31,"Monoisotopic Mass":233.866493,Charge:0,"Easy Name":"Barium hydrogen orthophosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1H1O4P1"},6096983:{PUBCHEM:{CID:"6096983","Compound Complexity":12,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bromorhenium;carbon monoxide","IUPAC Name CAS-like Style":"Bromorhenium;carbon monoxide","IUPAC Name Markup":"Bromorhenium;carbon monoxide","IUPAC Name Preferred":"Bromorhenium;carbon monoxide","IUPAC Name Systematic":"Bromanylrhenium;carbon monoxide","IUPAC Name Traditional":"Bromorhenium;carbon monoxide",InChI:"1S/5CO.BrH.Re/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1",InChIKey:"NWJBOTGGBYFKEJ-UHFFFAOYSA-M","Exact Mass":405.84866,"Molecular Formula":"C5BrO5Re","Molecular Weight":406.16,"Monoisotopic Mass":405.84866,Charge:0,"Easy Name":"Bromopentacarbonylrhenium (i)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Br1C5O5Re1"},6096993:{PUBCHEM:{CID:"6096993","Compound Complexity":10,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon monoxide;iron","IUPAC Name CAS-like Style":"Carbon monoxide;iron","IUPAC Name Markup":"Carbon monoxide;iron","IUPAC Name Preferred":"Carbon monoxide;iron","IUPAC Name Systematic":"Carbon monoxide;iron","IUPAC Name Traditional":"Carbon monoxide;iron",InChI:"1S/9CO.2Fe/c9*1-2;;",InChIKey:"JCXLZXJCZPKTBW-UHFFFAOYSA-N","Exact Mass":363.824103,"Molecular Formula":"C9Fe2O9","Molecular Weight":363.78,"Monoisotopic Mass":363.824103,Charge:0,"Easy Name":"Diiron nonacarbonyl","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C9Fe2O9"},6096998:{PUBCHEM:{CID:"6096998","Compound Complexity":10,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon monoxide;iron","IUPAC Name CAS-like Style":"Carbon monoxide;iron","IUPAC Name Markup":"Carbon monoxide;iron","IUPAC Name Preferred":"Carbon monoxide;iron","IUPAC Name Systematic":"Carbon monoxide;iron","IUPAC Name Traditional":"Carbon monoxide;iron",InChI:"1S/12CO.3Fe/c12*1-2;;;",InChIKey:"HLYRMDDXFDINCB-UHFFFAOYSA-N","Exact Mass":503.743782,"Molecular Formula":"C12Fe3O12","Molecular Weight":503.65,"Monoisotopic Mass":503.743782,Charge:0,"Easy Name":"Triiron dodecacarbonyl","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C12Fe3O12"},6097028:{PUBCHEM:{CID:"6097028","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;sulfate","IUPAC Name CAS-like Style":"Diammonium;sulfate","IUPAC Name Markup":"Diazanium;sulfate","IUPAC Name Preferred":"Diazanium;sulfate","IUPAC Name Systematic":"Diazanium;sulfate","IUPAC Name Traditional":"Diammonium;sulfate",InChI:"1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)",InChIKey:"BFNBIHQBYMNNAN-UHFFFAOYSA-N","Exact Mass":132.02047792,"Molecular Formula":"H8N2O4S","Molecular Weight":132.14,"Monoisotopic Mass":132.02047792,Charge:0,"Easy Name":"Ammonium sulfate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White or brown orthorhombic crystals"},Density:{Value:"1.77 g/cu cm"},"Melting Point":{Value:"280 °C (decomposes)"},"NFPA Hazard Classification":{Value:"0-0-0"},Odor:{Value:"Odorless"},pH:{Value:"pH = 5.5 (0.1 M aqueous solution)"},"Refractive Index":{Value:"Index of refraction: 1.521, 1.523, 1.533"},Solubility:{Value:"In water, 76.4 g/100 g water at 25 °C"},Uses:{Value:"For ammonium sulfate (USEPA/OPP Pesticide Code: 005601) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"Vapor pressure of saturated solution: 0.901 kPa at 10 °C; 1.319 kPa at 15 °C; 1.871 kPa at 20 °C; 2.573 kPa at 25 °C; 3.439 kPa at 30 °C; 4.474 kPa at 35 °C"}},ReducedFormula:"H8N2O4S1"},6100505:{PUBCHEM:{CID:"6100505","Compound Complexity":123,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"Dipotassium;2,3-dihydroxybutanedioate","IUPAC Name CAS-like Style":"Dipotassium;2,3-dihydroxybutanedioate","IUPAC Name Markup":"Dipotassium;2,3-dihydroxybutanedioate","IUPAC Name Preferred":"Dipotassium;2,3-dihydroxybutanedioate","IUPAC Name Systematic":"Dipotassium;2,3-bis(oxidanyl)butanedioate","IUPAC Name Traditional":"Dipotassium;tartrate",InChI:"1S/C4H6O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",InChIKey:"AVTYONGGKAJVTE-UHFFFAOYSA-L","Exact Mass":225.92820082,"Molecular Formula":"C4H4K2O6","Molecular Weight":226.27,"Monoisotopic Mass":225.92820082,Charge:0,"Easy Name":"Potassium tartrate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"COLORLESS CRYSTALS OR WHITE, CRYSTALLINE POWDER"},Density:{Value:"1.984 @ 18 °C"},Solubility:{Value:"1 G DISSOLVES IN 162 ML WATER, IN 16 ML BOILING WATER, IN 8820 ML ALCOHOL; READILY SOL IN DILUTED MINERAL ACIDS; SOL IN SOLN OF ALKALIES OR BORAX; IN WATER APPROX 0.4% @ 10 °C TO 6% @ 100 °C"},Taste:{Value:"PLEASANT ACIDULOUS TASTE"},Uses:{Value:"COLORING METALS, GALVANIC TINNING OF METALS; REDUCER OF CHROMIUM TRIOXIDE IN MORDANTS FOR WOOL"}},ReducedFormula:"C4H4K2O6"},6100671:{PUBCHEM:{CID:"6100671","Compound Complexity":570,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol","IUPAC Name CAS-like Style":"(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol","IUPAC Name Markup":"(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol","IUPAC Name Preferred":"(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol","IUPAC Name Systematic":"(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol","IUPAC Name Traditional":"(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol",InChI:"1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1",InChIKey:"CJDRUOGAGYHKKD-RQBLFBSQSA-N","Log P":1.8,"Exact Mass":326.19942809,"Molecular Formula":"C20H26N2O2","Molecular Weight":326.4,"Monoisotopic Mass":326.19942809,Charge:0,"Easy Name":"Ajmaline","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C20H26N2O2"},6101637:{PUBCHEM:{CID:"6101637","Compound Complexity":15.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);azide","IUPAC Name CAS-like Style":"Rubidium(1+);azide","IUPAC Name Markup":"Rubidium(1+);azide","IUPAC Name Preferred":"Rubidium(1+);azide","IUPAC Name Systematic":"Rubidium(1+);azide","IUPAC Name Traditional":"Rubidium(1+);azide",InChI:"1S/N3.Rb/c1-3-2;/q-1;+1",InChIKey:"GEWQYWRSUXOTOL-UHFFFAOYSA-N","Exact Mass":126.92101175,"Molecular Formula":"N3Rb","Molecular Weight":127.488,"Monoisotopic Mass":126.92101175,Charge:0,"Easy Name":"Rubidium azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"N3Rb1"},6112114:{PUBCHEM:{CID:"6112114","Compound Complexity":410,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate","IUPAC Name CAS-like Style":"(2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid methyl ester","IUPAC Name Markup":"Methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate","IUPAC Name Preferred":"Methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate","IUPAC Name Systematic":"Methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]ethanoate","IUPAC Name Traditional":"(2E)-2-methyloximino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid methyl ester",InChI:"1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+",InChIKey:"ZOTBXTZVPHCKPN-HTXNQAPBSA-N","Log P":4.1,"Exact Mass":313.1314081,"Molecular Formula":"C18H19NO4","Molecular Weight":313.3,"Monoisotopic Mass":313.1314081,Charge:0,"Easy Name":"Kresoxim-methyl","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Color And Form":{Value:"White crystals"},Density:{Value:"1.258 kg/l"},"Melting Point":{Value:"97.2-101.7 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH = 5.8"},Solubility:{Value:"All in g/100 ml: n-heptane, 0.17; toluene, 11.1; dichloromethane, 93.9; methanol, 1.49; acetone, 21.7; ethyl acetate, 12.3."},Uses:{Value:"For Kresoxim-methyl (USEPA/OPP Pesticide Code: 129111) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.72X10-8 mm Hg @ 20 °C"}},ReducedFormula:"C18H19N1O4"},6141900:{PUBCHEM:{CID:"6141900","Compound Complexity":255,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":10,"IUPAC Name Allowed":"[2-hydroxy-1-(methoxymethyl)propyl]imino-[(E)-oct-1-enyl]-oxido-ammonium","IUPAC Name CAS-like Style":"(3-hydroxy-1-methoxybutan-2-yl)imino-[(E)-oct-1-enyl]-oxidoammonium","IUPAC Name Markup":"(3-hydroxy-1-methoxybutan-2-yl)imino-[(E)-oct-1-enyl]-oxidoazanium","IUPAC Name Preferred":"(3-hydroxy-1-methoxybutan-2-yl)imino-[(E)-oct-1-enyl]-oxidoazanium","IUPAC Name Systematic":"(1-methoxy-3-oxidanyl-butan-2-yl)imino-[(E)-oct-1-enyl]-oxidanidyl-azanium","IUPAC Name Traditional":"[2-hydroxy-1-(methoxymethyl)propyl]imino-[(E)-oct-1-enyl]-oxido-ammonium",InChI:"1S/C13H26N2O3/c1-4-5-6-7-8-9-10-15(17)14-13(11-18-3)12(2)16/h9-10,12-13,16H,4-8,11H2,1-3H3/b10-9+,15-14?",InChIKey:"BCPWSYQGYBTINM-HDHZNLKHSA-N","Log P":2.8,"Exact Mass":258.19434271,"Molecular Formula":"C13H26N2O3","Molecular Weight":258.36,"Monoisotopic Mass":258.19434271,Charge:0,"Easy Name":"Elaiomycin","Easy Category":"Antimicrobials"},HSDB:{"Color And Form":{Value:"PALE YELLOW OIL"},"Refractive Index":{Value:"INDEX OF REFRACTION 1.4798 @ 25 °C/D; SPECIFIC OPTICAL ROTATION: +38.4 DEG @ 26 °C/D (ABSOLUTE ALCOHOL= 2.8%)"},Solubility:{Value:"SPARINGLY SOL IN WATER; SOL IN PRACTICALLY ALL COMMON ORG SOLVENTS"}},ReducedFormula:"C13H26N2O3"},6312351:{PUBCHEM:{CID:"6312351","Compound Complexity":385,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"5-[(E)-but-2-enoyl]-4-methoxy-6-methyl-pyran-2-one","IUPAC Name CAS-like Style":"4-methoxy-6-methyl-5-[(E)-1-oxobut-2-enyl]-2-pyranone","IUPAC Name Markup":"5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one","IUPAC Name Preferred":"5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one","IUPAC Name Systematic":"5-[(E)-but-2-enoyl]-4-methoxy-6-methyl-pyran-2-one","IUPAC Name Traditional":"5-[(E)-but-2-enoyl]-4-methoxy-6-methyl-pyran-2-one",InChI:"1S/C11H12O4/c1-4-5-8(12)11-7(2)15-10(13)6-9(11)14-3/h4-6H,1-3H3/b5-4+",InChIKey:"VVYCRPVWBIEKIW-SNAWJCMRSA-N","Log P":1.1,"Exact Mass":208.07355887,"Molecular Formula":"C11H12O4","Molecular Weight":208.21,"Monoisotopic Mass":208.07355887,Charge:0,"Easy Name":"Pyrenocine A","Easy Category":"Mycotoxins"},HSDB:{},ReducedFormula:"C11H12O4"},6321380:{PUBCHEM:{CID:"6321380","Compound Complexity":2070,"Hydrogen Bond Acceptor":22,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthylidene)hydrazino]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate","IUPAC Name CAS-like Style":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthalenylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Markup":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Preferred":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Systematic":"Tetrasodium;(3Z)-5-azanyl-3-[[4-[4-[(2Z)-2-(8-azanyl-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene)hydrazinyl]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate","IUPAC Name Traditional":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(N'Z)-N'-(8-amino-1-keto-3,6-disulfonato-2-naphthylidene)hydrazino]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate",InChI:"1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-31+,40-32+;;;;",InChIKey:"JDCJCNVYTGPGAN-ARWFNKCKSA-J","Exact Mass":991.9722405,"Molecular Formula":"C34H24N6Na4O16S4","Molecular Weight":992.8,"Monoisotopic Mass":991.9722405,Charge:0,"Easy Name":"Direct Blue 15","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C34H24N6Na4O16S4"},6321394:{PUBCHEM:{CID:"6321394","Compound Complexity":965,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Disodium;(3E)-4-oxo-3-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1-sulfonate","IUPAC Name CAS-like Style":"Disodium;(3E)-4-oxo-3-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]-1-naphthalenesulfonate","IUPAC Name Markup":"Disodium;(3E)-4-oxo-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate","IUPAC Name Preferred":"Disodium;(3E)-4-oxo-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate","IUPAC Name Systematic":"Disodium;(3E)-4-oxidanylidene-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate","IUPAC Name Traditional":"Disodium;(3E)-4-keto-3-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1-sulfonate",InChI:"1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-17+;;",InChIKey:"OJNIRNOPCQQNRY-JZFXEGLSSA-L","Exact Mass":501.98813165,"Molecular Formula":"C20H12N2Na2O7S2","Molecular Weight":502.4,"Monoisotopic Mass":501.98813165,Charge:0,"Easy Name":"Azorubine","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C20H12N2Na2O7S2"},6321405:{PUBCHEM:{CID:"6321405","Compound Complexity":185,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,2R,4R)-1,7,7-trimethylnorbornan-2-ol","IUPAC Name CAS-like Style":"(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanol","IUPAC Name Markup":"(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Preferred":"(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Systematic":"(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","IUPAC Name Traditional":"(1R,2R,4R)-1,7,7-trimethylnorbornan-2-ol",InChI:"1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1",InChIKey:"DTGKSKDOIYIVQL-MRTMQBJTSA-N","Log P":2.7,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":"Isoborneol","Easy Category":"Alcohol"},HSDB:{"Boiling Point":{Value:"Sublimes"},"Color And Form":{Value:"White solid"},Density:{Value:"1.10 g/cm cu at 20 °C"},"Melting Point":{Value:"216 °C"},Odor:{Value:"Camphor odor"},Solubility:{Value:"In water, 1.19X10+3 mg/L at 25 °C (est)"},Uses:{Value:"For isoborneol (USEPA/OPP Pesticide Code: 047089) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"3.53X10-2 mm Hg at 25 °C (est)"}},ReducedFormula:"C10H18O1"},6324599:{PUBCHEM:{CID:"6324599","Compound Complexity":1610,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"Sodium;3-[[4-[(E)-[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-2-methyl-cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methyl-anilino]methyl]benzenesulfonate","IUPAC Name CAS-like Style":"Sodium;3-[[4-[(E)-[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-2-methyl-1-cyclohexa-2,5-dienylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate","IUPAC Name Markup":"Sodium;3-[[4-[(E)-[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate","IUPAC Name Preferred":"Sodium;3-[[4-[(E)-[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate","IUPAC Name Systematic":"Sodium;3-[[[4-[(E)-[4-[(4-ethoxyphenyl)amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methyl-cyclohexa-2,5-dien-1-ylidene]methyl]-3-methyl-phenyl]-ethyl-amino]methyl]benzenesulfonate","IUPAC Name Traditional":"Sodium;3-[[N-ethyl-4-[(E)-[4-[ethyl-(3-sulfonatobenzyl)iminio]-2-methyl-cyclohexa-2,5-dien-1-ylidene]-[4-(p-phenetidino)phenyl]methyl]-3-methyl-anilino]methyl]besylate",InChI:"1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1",InChIKey:"RWVGQQGBQSJDQV-UHFFFAOYSA-M","Exact Mass":853.28313753,"Molecular Formula":"C47H48N3NaO7S2","Molecular Weight":854,"Monoisotopic Mass":853.28313753,Charge:0,"Easy Name":"Coomassie Brilliant Blue G-250","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C47H48N3Na1O7S2"},6326776:{PUBCHEM:{CID:"6326776","Compound Complexity":69.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S)-2,3-dihydroxypropanoic acid","IUPAC Name CAS-like Style":"(2S)-2,3-dihydroxypropanoic acid","IUPAC Name Markup":"(2S)-2,3-dihydroxypropanoic acid","IUPAC Name Preferred":"(2S)-2,3-dihydroxypropanoic acid","IUPAC Name Systematic":"(2S)-2,3-bis(oxidanyl)propanoic acid","IUPAC Name Traditional":"(2S)-2,3-dihydroxypropionic acid",InChI:"1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1",InChIKey:"RBNPOMFGQQGHHO-REOHCLBHSA-N","Log P":-1.5,"Exact Mass":106.026608672,"Molecular Formula":"C3H6O4","Molecular Weight":106.08,"Monoisotopic Mass":106.026608672,Charge:0,"Easy Name":"L-glyceric acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C3H6O4"},6326954:{PUBCHEM:{CID:"6326954","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Germanium","IUPAC Name CAS-like Style":"Germanium","IUPAC Name Markup":"Germanium","IUPAC Name Preferred":"Germanium","IUPAC Name Systematic":"Germanium","IUPAC Name Traditional":"Germanium",InChI:"1S/Ge",InChIKey:"GNPVGFCGXDBREM-UHFFFAOYSA-N","Exact Mass":73.9211778,"Molecular Formula":"Ge","Molecular Weight":72.63,"Monoisotopic Mass":73.9211778,Charge:0,"Easy Name":"Germanium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"2700 °C"},"Color And Form":{Value:"GRAYISH-WHITE, LUSTROUS, BRITTLE METALLOID; DIAMOND-CUBIC STRUCTURE WHEN CRYSTALLINE"},"Critical Temperature And Pressure":{Value:"Critical temperature: 9803 K; critical pressure 6.511X10+8 Pa"},Density:{Value:"5.323 @ 25 °C/4 °C"},"Heat Of Vaporization":{Value:"3.5733X10+8 J/kmol @ melting point"},"Melting Point":{Value:"937.2 °C"},Solubility:{Value:"INSOL IN WATER, HYDROCHLORIC ACID, DIL ALKALI HYDROXIDES"},Uses:{Value:"IN ELECTRONICS: MANUFACTURE OF RECTIFYING DEVICES (GERMANIUM DIODES), TRANSISTORS, IN RED-FLUORESCING PHOSPHORS; IN DENTAL ALLOYS; IN PRODN OF GLASS CAPABLE OF TRANSMITTING INFRARED RADIATION"},"Vapor Pressure":{Value:"0 mm Hg @ 25 °C"}},ReducedFormula:"Ge1"},6326970:{PUBCHEM:{CID:"6326970","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Selenium","IUPAC Name CAS-like Style":"Selenium","IUPAC Name Markup":"Selenium","IUPAC Name Preferred":"Selenium","IUPAC Name Systematic":"Selenium","IUPAC Name Traditional":"Selenium",InChI:"1S/Se",InChIKey:"BUGBHKTXTAQXES-UHFFFAOYSA-N","Exact Mass":79.91652,"Molecular Formula":"Se","Molecular Weight":78.97,"Monoisotopic Mass":79.91652,Charge:0,"Easy Name":"Selenium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"685 °C"},"Color And Form":{Value:"Selenium exists in several allotropic forms. 3 are generally recognized ... Selenium can be prepd with either amorphous or crystalline structure. ... Amorphous is either red, in powder form or black, in vitreous form. Crystalline monoclinic selenium is deep red; crystalline hexagonal form, the most stable variety, is a metallic gray."},"Critical Temperature And Pressure":{Value:"Critical temperature: 1766 K; critical pressure: 27.2 MPa"},Density:{Value:"4.39 g/cu cm (alpha form); 4.809 g/cu cm (gray selenium); 4.28 g/cu cm (vitreous selenium)"},"Heat Of Vaporization":{Value:"59.7 kJ/mol"},"Melting Point":{Value:"220.8 °C (gray selenium); vitreous selenium is transformed to gray selenium at 180 °C; alpha-form transforms to gray at temperatures above 120 °C"},Solubility:{Value:"Soluble in aq potassium cyanide soln, potassium sulfite soln, dilute aqueous caustic alkali soln"},Uses:{Value:"As ingredient of toning baths in photography; as pigment in mfr of ruby-, pink-, orange-, or red-colored glass; as metallic base in making electrodes for arc lights, electrical instruments and apparatus; as rectifier in radio and television sets; in selenium photocells, in semiconductor fusion mixtures, selenium cells, telephotographic apparatus; as vulcanizing agent in processing of rubber; as catalyst in determination of nitrogen by Kjeldahl method; for dehydrogenation of organic compounds."},"Vapor Pressure":{Value:"1 Pa at 227 °C; 10 Pa at 279 °C; 100 Pa at 344 °C; 1 kPa at 431 °C; 10 kPa at 540 °C; 100 kPa at 685 °C"},Viscosity:{Value:"221 mPa-S (= cP) at 220 °C; 70 cP at 360 °C"}},ReducedFormula:"Se1"},6327122:{PUBCHEM:{CID:"6327122","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorogermanium","IUPAC Name CAS-like Style":"Dichlorogermanium","IUPAC Name Markup":"Dichlorogermanium","IUPAC Name Preferred":"Dichlorogermanium","IUPAC Name Systematic":"Bis(chloranyl)germanium","IUPAC Name Traditional":"Dichlorogermanium",InChI:"1S/Cl2Ge/c1-3-2",InChIKey:"QHGIKMVOLGCZIP-UHFFFAOYSA-N","Exact Mass":143.8588831,"Molecular Formula":"Cl2Ge","Molecular Weight":143.5,"Monoisotopic Mass":143.8588831,Charge:0,"Easy Name":"Germanium dichloride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cl2Ge1"},6327129:{PUBCHEM:{CID:"6327129","Compound Complexity":457,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"Triphenyltin","IUPAC Name CAS-like Style":"Triphenyltin","IUPAC Name Markup":"Triphenyltin","IUPAC Name Preferred":"Triphenyltin","IUPAC Name Systematic":"Triphenyltin","IUPAC Name Traditional":"Triphenyltin",InChI:"1S/6C6H5.2Sn/c6*1-2-4-6-5-3-1;;/h6*1-5H;;",InChIKey:"UAPQJVJCJITJET-UHFFFAOYSA-N","Exact Mass":700.03856,"Molecular Formula":"C36H30Sn2","Molecular Weight":700,"Monoisotopic Mass":702.03915,Charge:0,"Easy Name":"Hexaphenylditin","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C36H30Sn2"},6327182:{PUBCHEM:{CID:"6327182","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tellurium","IUPAC Name CAS-like Style":"Tellurium","IUPAC Name Markup":"Tellurium","IUPAC Name Preferred":"Tellurium","IUPAC Name Systematic":"Tellurium","IUPAC Name Traditional":"Tellurium",InChI:"1S/Te",InChIKey:"PORWMNRCUJJQNO-UHFFFAOYSA-N","Exact Mass":129.9062227,"Molecular Formula":"Te","Molecular Weight":127.6,"Monoisotopic Mass":129.9062227,Charge:0,"Easy Name":"Tellurium","Easy Category":"Chemical element"},HSDB:{"Boiling Point":{Value:"989.9 °C"},"Color And Form":{Value:"Grayish-white, lustrous, brittle, crystalline solid, hexagonal, rhombohedral structure"},Density:{Value:"6.11-6.27"},"Heat Of Vaporization":{Value:"46.0 kJ/g"},"Melting Point":{Value:"449.8 °C"},Odor:{Value:"Odorless."},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.0025; SADTLER REFERENCE NUMBER: 5272 (IR, PRISM)"},Solubility:{Value:"Insol in benzene, carbon disulfide"},Uses:{Value:"Coloring agent in chinaware, porcelains, enamels, glass; producing black finish on silverware"},Viscosity:{Value:"1.8-1.95 cP"}},ReducedFormula:"Te1"},6327212:{PUBCHEM:{CID:"6327212","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorosilicon","IUPAC Name CAS-like Style":"Dichlorosilicon","IUPAC Name Markup":"Dichlorosilicon","IUPAC Name Preferred":"Dichlorosilicon","IUPAC Name Systematic":"Bis(chloranyl)silicon","IUPAC Name Traditional":"Dichlorosilicon",InChI:"1S/Cl2Si/c1-3-2",InChIKey:"BUMGIEFFCMBQDG-UHFFFAOYSA-N","Exact Mass":97.9146319,"Molecular Formula":"Cl2Si","Molecular Weight":98.99,"Monoisotopic Mass":97.9146319,Charge:0,"Easy Name":"Dichlorosilicon","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cl2Si1"},6327215:{PUBCHEM:{CID:"6327215","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Diiodogermanium","IUPAC Name CAS-like Style":"Diiodogermanium","IUPAC Name Markup":"Diiodogermanium","IUPAC Name Preferred":"Diiodogermanium","IUPAC Name 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compound"},HSDB:{},ReducedFormula:"F2Si1"},6327450:{PUBCHEM:{CID:"6327450","Compound Complexity":80.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"9lambda2-borabicyclo[3.3.1]nonane","IUPAC Name CAS-like Style":"9lambda2-borabicyclo[3.3.1]nonane","IUPAC Name Markup":"9λ2-borabicyclo[3.3.1]nonane","IUPAC Name Preferred":"9lambda2-borabicyclo[3.3.1]nonane","IUPAC Name Systematic":"9lambda2-borabicyclo[3.3.1]nonane","IUPAC Name Traditional":"9lambda2-borabicyclo[3.3.1]nonane",InChI:"1S/C8H14B/c1-3-7-5-2-6-8(4-1)9-7/h7-8H,1-6H2",InChIKey:"AMKGKYQBASDDJB-UHFFFAOYSA-N","Exact Mass":121.1188556,"Molecular Formula":"C8H14B","Molecular Weight":121.01,"Monoisotopic Mass":121.1188556,Charge:0,"Easy Name":"9-Borabicyclo (3.3.1)nonane","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"B1C8H14"},6327639:{PUBCHEM:{CID:"6327639","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxogermanium","IUPAC Name CAS-like Style":"Oxogermanium","IUPAC Name Markup":"Oxogermanium","IUPAC Name Preferred":"Oxogermanium","IUPAC Name Systematic":"Oxidanylidenegermanium","IUPAC Name Traditional":"Ketogermanium",InChI:"1S/GeO/c1-2",InChIKey:"PVADDRMAFCOOPC-UHFFFAOYSA-N","Exact Mass":89.9160924,"Molecular Formula":"GeO","Molecular Weight":88.63,"Monoisotopic Mass":89.9160924,Charge:0,"Easy Name":"Germanium monoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Ge1O1"},6327914:{PUBCHEM:{CID:"6327914","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxobismuth","IUPAC Name CAS-like Style":"Oxobismuth","IUPAC Name Markup":"Oxobismuth","IUPAC Name Preferred":"Oxobismuth","IUPAC Name Systematic":"Oxidanylidenebismuth","IUPAC Name Traditional":"Ketobismuth",InChI:"1S/Bi.O",InChIKey:"CJJMLLCUQDSZIZ-UHFFFAOYSA-N","Exact Mass":224.97531,"Molecular Formula":"BiO","Molecular Weight":224.98,"Monoisotopic 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It has been mixed with a scintillator to produce luminous paint, and at one time, the most common use for its salts was radiation therapy. As a source of gamma radiation, radium activity was enhanced by sealing a radium salt in a capsule that prevented escape of the gaseous progeny, radium-222, and allowing the radon to decay into its successive progeny. /Radium-226/"}},ReducedFormula:"Ra1"},6328145:{PUBCHEM:{CID:"6328145","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Francium","IUPAC Name CAS-like Style":"Francium","IUPAC Name Markup":"Francium","IUPAC Name Preferred":"Francium","IUPAC Name Systematic":"Francium","IUPAC Name Traditional":"Francium",InChI:"1S/Fr",InChIKey:"KLMCZVJOEAUDNE-UHFFFAOYSA-N","Exact Mass":223.01973,"Molecular Formula":"Fr","Molecular Weight":223.01973,"Monoisotopic Mass":223.01973,Charge:0,"Easy Name":"Francium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Fr1"},6328152:{PUBCHEM:{CID:"6328152","Compound Complexity":4.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name 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Traditional":"Chlorobismuth",InChI:"1S/Bi.ClH/h;1H/q+1;/p-1",InChIKey:"MKZNMJCVHFTARF-UHFFFAOYSA-M","Exact Mass":243.94925,"Molecular Formula":"BiCl","Molecular Weight":244.43,"Monoisotopic Mass":243.94925,Charge:0,"Easy Name":"Chlorobismuth","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Bi1Cl1"},6332932:{PUBCHEM:{CID:"6332932","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichlorogallium","IUPAC Name CAS-like Style":"Dichlorogallium","IUPAC Name Markup":"Dichlorogallium","IUPAC Name Preferred":"Dichlorogallium","IUPAC Name Systematic":"Bis(chloranyl)gallium","IUPAC Name Traditional":"Dichlorogallium",InChI:"1S/2ClH.Ga/h2*1H;/q;;+2/p-2",InChIKey:"CIKRMOQDJNFPRK-UHFFFAOYSA-L","Exact Mass":138.86328,"Molecular Formula":"Cl2Ga","Molecular Weight":140.63,"Monoisotopic Mass":138.86328,Charge:0,"Easy Name":"Gallium (II) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl2Ga1"},6336548:{PUBCHEM:{CID:"6336548","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;germanium;oxygen(2-)","IUPAC Name CAS-like Style":"Disodium;germanium;oxygen(2-)","IUPAC Name Markup":"Disodium;germanium;oxygen(2-)","IUPAC Name Preferred":"Disodium;germanium;oxygen(2-)","IUPAC Name Systematic":"Disodium;germanium;oxygen(2-)","IUPAC Name Traditional":"Disodium;germanium;oxygen(2-)",InChI:"1S/Ge.2Na.3O/q;2*+1;3*-2",InChIKey:"YKYQVLDOHLYEMI-UHFFFAOYSA-N","Exact Mass":167.8854602,"Molecular Formula":"GeNa2O3-4","Molecular Weight":166.61,"Monoisotopic Mass":167.8854602,Charge:-4,"Easy Name":"Sodium germanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-4Ge1Na2O3"},6336647:{PUBCHEM:{CID:"6336647","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":6,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;antimony;hexahydroxide","IUPAC Name CAS-like 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compound"},HSDB:{},ReducedFormula:"Ca1Si1"},6336910:{PUBCHEM:{CID:"6336910","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Antimony;magnesium","IUPAC Name CAS-like Style":"Antimony;magnesium","IUPAC Name Markup":"Antimony;magnesium","IUPAC Name Preferred":"Antimony;magnesium","IUPAC Name Systematic":"Antimony;magnesium","IUPAC Name Traditional":"Antimony;magnesium",InChI:"1S/3Mg.2Sb",InChIKey:"QHOUMTBHANVATP-UHFFFAOYSA-N","Exact Mass":315.76315,"Molecular Formula":"Mg3Sb2","Molecular Weight":316.44,"Monoisotopic Mass":313.76275,Charge:0,"Easy Name":"Magnesium antimonide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Mg3Sb2"},6337099:{PUBCHEM:{CID:"6337099","Compound Complexity":2,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Antimony;nitric oxide;hexachloride","IUPAC Name CAS-like Style":"Antimony;nitric oxide;hexachloride","IUPAC Name Markup":"Antimony;nitric oxide;hexachloride","IUPAC Name Preferred":"Antimony;nitric oxide;hexachloride","IUPAC Name Systematic":"Antimony;nitric oxide;hexachloride","IUPAC Name Traditional":"Antimony;nitric oxide;hexachloride",InChI:"1S/6ClH.NO.Sb/c;;;;;;1-2;/h6*1H;;/p-6",InChIKey:"OHLFQXNPZQVXGY-UHFFFAOYSA-H","Exact Mass":362.71196,"Molecular Formula":"Cl6NOSb-6","Molecular Weight":364.5,"Monoisotopic Mass":360.71491,Charge:-6,"Easy Name":"Nitrosyl hexachloroantimonate (V)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-6Cl6N1O1Sb1"},6337100:{PUBCHEM:{CID:"6337100","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Antimony;hydron;hexafluoride","IUPAC Name CAS-like Style":"Antimony;hydron;hexafluoride","IUPAC Name Markup":"Antimony;hydron;hexafluoride","IUPAC Name Preferred":"Antimony;hydron;hexafluoride","IUPAC Name Systematic":"Antimony;hydron;hexafluoride","IUPAC Name Traditional":"Antimony;hydron;hexafluoride",InChI:"1S/6FH.Sb/h6*1H;/p-5",InChIKey:"FQWDRCSQRKAYKW-UHFFFAOYSA-I","Exact Mass":235.90205,"Molecular Formula":"F6HSb-5","Molecular Weight":236.76,"Monoisotopic Mass":235.90205,Charge:-5,"Easy Name":"Fluoroantimonic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"-5F6H1Sb1"},6364570:{PUBCHEM:{CID:"6364570","Compound Complexity":902,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Disodium;(4Z)-4-[(2,4-dimethylphenyl)hydrazono]-3-oxo-naphthalene-2,7-disulfonate","IUPAC Name CAS-like Style":"Disodium;(4Z)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate","IUPAC Name Markup":"Disodium;(4Z)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate","IUPAC Name Preferred":"Disodium;(4Z)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate","IUPAC Name Systematic":"Disodium;(4Z)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate","IUPAC Name Traditional":"Disodium;(4Z)-4-[(2,4-dimethylphenyl)hydrazono]-3-keto-naphthalene-2,7-disulfonate",InChI:"1S/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-17-;;",InChIKey:"YLPYFTONSCZUMH-RMBYUSIPSA-L","Exact Mass":480.00378171,"Molecular Formula":"C18H14N2Na2O7S2","Molecular Weight":480.4,"Monoisotopic Mass":480.00378171,Charge:0,"Easy Name":"Ponceau 2R","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C18H14N2Na2O7S2"},6367215:{PUBCHEM:{CID:"6367215","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxogermanium","IUPAC Name CAS-like Style":"Sulfanylidenegermanium","IUPAC Name Markup":"Sulfanylidenegermanium","IUPAC Name Preferred":"Sulfanylidenegermanium","IUPAC Name Systematic":"Sulfanylidenegermanium","IUPAC Name Traditional":"Thioxogermanium",InChI:"1S/GeS/c1-2",InChIKey:"VDNSGQQAZRMTCI-UHFFFAOYSA-N","Exact Mass":105.8932489,"Molecular Formula":"GeS","Molecular Weight":104.7,"Monoisotopic Mass":105.8932489,Charge:0,"Easy Name":"Germanium monosulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Ge1S1"},6367235:{PUBCHEM:{CID:"6367235","Compound Complexity":4.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxobismuth;hydroiodide","IUPAC Name CAS-like Style":"Oxobismuth;hydroiodide","IUPAC Name Markup":"Oxobismuth;hydroiodide","IUPAC Name Preferred":"Oxobismuth;hydroiodide","IUPAC Name Systematic":"Oxidanylidenebismuth;hydroiodide","IUPAC Name Traditional":"Ketobismuth;hydroiodide",InChI:"1S/Bi.HI.O/h;1H;",InChIKey:"FCBARUADRQNVFT-UHFFFAOYSA-N","Exact Mass":352.88761,"Molecular Formula":"BiHIO","Molecular Weight":352.892,"Monoisotopic Mass":352.88761,Charge:0,"Easy Name":"Bismuth Iodide Oxide","Easy Category":"Oxohalides"},HSDB:{},ReducedFormula:"Bi1H1I1O1"},6369348:{PUBCHEM:{CID:"6369348","Compound Complexity":26.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(oxo)vanadium","IUPAC Name CAS-like Style":"Dihydroxy(oxo)vanadium","IUPAC Name Markup":"Dihydroxy(oxo)vanadium","IUPAC Name Preferred":"Dihydroxy(oxo)vanadium","IUPAC Name Systematic":"Bis(oxidanyl)-oxidanylidene-vanadium","IUPAC Name Traditional":"Dihydroxy(keto)vanadium",InChI:"1S/2H2O.O.V/h2*1H2;;/q;;;+2/p-2",InChIKey:"BTMIFIWTHNRPRZ-UHFFFAOYSA-L","Exact Mass":100.944351,"Molecular Formula":"H2O3V","Molecular Weight":100.956,"Monoisotopic Mass":100.944351,Charge:0,"Easy Name":"Vanadyl (IV) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2O3V1"},6373650:{PUBCHEM:{CID:"6373650","Compound Complexity":26.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(oxo)titanium","IUPAC Name CAS-like Style":"Dihydroxy(oxo)titanium","IUPAC Name Markup":"Dihydroxy(oxo)titanium","IUPAC Name Preferred":"Dihydroxy(oxo)titanium","IUPAC Name Systematic":"Bis(oxidanyl)-oxidanylidene-titanium","IUPAC Name Traditional":"Dihydroxy(keto)titanium",InChI:"1S/2H2O.O.Ti/h2*1H2;;/q;;;+2/p-2",InChIKey:"ZDNBCKZJXCUXCR-UHFFFAOYSA-L","Exact Mass":97.948335,"Molecular Formula":"H2O3Ti","Molecular Weight":97.88,"Monoisotopic Mass":97.948335,Charge:0,"Easy Name":"Dihydroxy (oxo)titanium","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O3Ti1"},6391401:{PUBCHEM:{CID:"6391401","Compound Complexity":26.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(oxo)zirconium","IUPAC Name CAS-like Style":"Dihydroxy(oxo)zirconium","IUPAC Name Markup":"Dihydroxy(oxo)zirconium","IUPAC Name Preferred":"Dihydroxy(oxo)zirconium","IUPAC Name Systematic":"Bis(oxidanyl)-oxidanylidene-zirconium","IUPAC Name Traditional":"Dihydroxy(keto)zirconium",InChI:"1S/2H2O.O.Zr/h2*1H2;;/q;;;+2/p-2",InChIKey:"LWOSHKSQGMBYCN-UHFFFAOYSA-L","Exact Mass":139.905093,"Molecular Formula":"H2O3Zr","Molecular Weight":141.24,"Monoisotopic Mass":139.905093,Charge:0,"Easy Name":"Dihydroxy (oxo)zirconium","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2O3Zr1"},6391572:{PUBCHEM:{CID:"6391572","Compound Complexity":81.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(dioxo)manganese","IUPAC Name CAS-like Style":"Dihydroxy(dioxo)manganese","IUPAC Name Markup":"Dihydroxy(dioxo)manganese","IUPAC Name Preferred":"Dihydroxy(dioxo)manganese","IUPAC Name Systematic":"Bis(oxidanyl)-bis(oxidanylidene)manganese","IUPAC Name Traditional":"Dihydroxy(diketo)manganese",InChI:"1S/Mn.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2",InChIKey:"CVMIVKAWUQZOBP-UHFFFAOYSA-L","Exact Mass":120.933352,"Molecular Formula":"H2MnO4","Molecular Weight":120.952,"Monoisotopic Mass":120.933352,Charge:0,"Easy Name":"Manganic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2Mn1O4"},6396768:{PUBCHEM:{CID:"6396768","Compound Complexity":100,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dimethyl-methylene-oxo-lambda6-sulfane","IUPAC Name CAS-like Style":"Dimethyl-methylene-oxo-lambda6-sulfane","IUPAC Name Markup":"Dimethyl-methylidene-oxo-λ6-sulfane","IUPAC Name Preferred":"Dimethyl-methylidene-oxo-lambda6-sulfane","IUPAC Name Systematic":"Dimethyl-methylidene-oxidanylidene-lambda6-sulfane","IUPAC Name Traditional":"Keto-dimethyl-methylene-lambda6-sulfane",InChI:"1S/C3H8OS/c1-5(2,3)4/h1H2,2-3H3",InChIKey:"DKWOHBPRFZIUQL-UHFFFAOYSA-N","Log P":.9,"Exact Mass":92.02958605,"Molecular Formula":"C3H8OS","Molecular Weight":92.16,"Monoisotopic Mass":92.02958605,Charge:0,"Easy Name":"Dimethylsulfoxonium Methylide","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C3H8O1S1"},6419725:{PUBCHEM:{CID:"6419725","Compound Complexity":1200,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":10,"IUPAC Name Allowed":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name CAS-like Style":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethyl-1-cyclohex-2-enyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name Markup":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name Preferred":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name Systematic":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene","IUPAC Name Traditional":"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",InChI:"1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",InChIKey:"ANVAOWXLWRTKGA-NTXLUARGSA-N","Log P":13.6,"Exact Mass":536.43820181,"Molecular Formula":"C40H56","Molecular Weight":536.9,"Monoisotopic Mass":536.43820181,Charge:0,"Easy Name":"Alpha-Carotene","Easy Category":"Carotenoid"},HSDB:{},ReducedFormula:"C40H56"},6422843:{PUBCHEM:{CID:"6422843","Compound Complexity":476,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxy-carbamate","IUPAC Name CAS-like Style":"N-[2-[[1-(4-chlorophenyl)-3-pyrazolyl]oxymethyl]phenyl]-N-methoxycarbamic acid methyl ester","IUPAC Name Markup":"Methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate","IUPAC Name Preferred":"Methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate","IUPAC Name Systematic":"Methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxy-carbamate","IUPAC Name Traditional":"N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxy-carbamic acid methyl ester",InChI:"1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3",InChIKey:"HZRSNVGNWUDEFX-UHFFFAOYSA-N","Log P":4.1,"Exact Mass":387.0985838,"Molecular Formula":"C19H18ClN3O4","Molecular Weight":387.8,"Monoisotopic Mass":387.0985838,Charge:0,"Easy Name":"Pyrachlostrobin","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"White or light beige crystalline solid"},Density:{Value:"1.285 g/cu cm at 20 °C[Health Canada; Regulatory Note: Pyraclostrobin-Headline EC-Cabrio EG (REG2003-06); Pest Management Regulatory Agency (2003)"},"Melting Point":{Value:"63.7 to 65.2 °C"},Odor:{Value:"Odorless[Health Canada; Regulatory Note: Pyraclostrobin-Headline EC-Cabrio EG (REG2003-06); Pest Management Regulatory Agency (2003)"},Solubility:{Value:"In water, 1.9 mg/L at 20 °C"},Uses:{Value:"For pyraclostrobin (USEPA/OPP Pesticide Code: 099100) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.95X10-10 mm Hg at 20 °C"}},ReducedFormula:"C19Cl1H18N3O4"},6426889:{PUBCHEM:{CID:"6426889","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;chlorate","IUPAC Name CAS-like Style":"Potassium;chlorate","IUPAC Name Markup":"Potassium;chlorate","IUPAC Name Preferred":"Potassium;chlorate","IUPAC Name Systematic":"Potassium;chlorate","IUPAC Name Traditional":"Potassium;chlorate",InChI:"1S/ClHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"VKJKEPKFPUWCAS-UHFFFAOYSA-M","Exact Mass":121.917303,"Molecular Formula":"ClKO3","Molecular Weight":122.55,"Monoisotopic Mass":121.917303,Charge:0,"Easy Name":"Potassium chlorate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"400 °C (decomposes)"},"Color And Form":{Value:"Colorless, lustrous crystals or white granules or powder"},Density:{Value:"2.32 g/cu cm"},"Melting Point":{Value:"368 °C"},"Refractive Index":{Value:"Index of refraction: 1.440 at 20 °C"},Solubility:{Value:"8.61 g/100 g water at 25 °C"},Taste:{Value:"Cooling, saline taste"},Uses:{Value:"Oxidizing agent, explosives, matches, source of oxygen, textile printing, pyrotechnics, percussion caps, disinfectant, bleaching."}},ReducedFormula:"Cl1K1O3"},6427079:{PUBCHEM:{CID:"6427079","Compound Complexity":33.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,2R)-1,2-dimethylcyclopropane","IUPAC Name CAS-like Style":"(1R,2R)-1,2-dimethylcyclopropane","IUPAC Name Markup":"(1R,2R)-1,2-dimethylcyclopropane","IUPAC Name Preferred":"(1R,2R)-1,2-dimethylcyclopropane","IUPAC Name Systematic":"(1R,2R)-1,2-dimethylcyclopropane","IUPAC Name Traditional":"(1R,2R)-1,2-dimethylcyclopropane",InChI:"1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m1/s1",InChIKey:"VKJLDXGFBJBTRQ-RFZPGFLSSA-N","Log P":2.1,"Exact Mass":70.078250322,"Molecular Formula":"C5H10","Molecular Weight":70.13,"Monoisotopic Mass":70.078250322,Charge:0,"Easy Name":"Trans-Dimethylcyclopropane","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C5H10"},6428782:{PUBCHEM:{CID:"6428782","Compound Complexity":64.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(Z)-hex-2-enal","IUPAC Name CAS-like Style":"(Z)-2-hexenal","IUPAC Name Markup":"(Z)-hex-2-enal","IUPAC Name Preferred":"(Z)-hex-2-enal","IUPAC Name Systematic":"(Z)-hex-2-enal","IUPAC Name Traditional":"(Z)-hex-2-enal",InChI:"1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-",InChIKey:"MBDOYVRWFFCFHM-PLNGDYQASA-N","Log P":1.5,"Exact Mass":98.073164942,"Molecular Formula":"C6H10O","Molecular Weight":98.14,"Monoisotopic Mass":98.073164942,Charge:0,"Easy Name":"Cis-2-Hexenal","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1"},6431038:{PUBCHEM:{CID:"6431038","Compound Complexity":99.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"4-methylhept-2-yne","IUPAC Name CAS-like Style":"4-methyl-2-heptyne","IUPAC Name Markup":"4-methylhept-2-yne","IUPAC Name Preferred":"4-methylhept-2-yne","IUPAC Name Systematic":"4-methylhept-2-yne","IUPAC Name Traditional":"4-methylhept-2-yne",InChI:"1S/C8H14/c1-4-6-8(3)7-5-2/h8H,4,6H2,1-3H3",InChIKey:"KZHHZKKPQWMHHM-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":110.10955045,"Molecular Formula":"C8H14","Molecular Weight":110.2,"Monoisotopic Mass":110.10955045,Charge:0,"Easy Name":"4-Methyl-2-heptyne","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C8H14"},6431878:{PUBCHEM:{CID:"6431878","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltic;trifluoride","IUPAC Name CAS-like Style":"Cobalt(3+);trifluoride","IUPAC Name Markup":"Cobalt(3+);trifluoride","IUPAC Name Preferred":"Cobalt(3+);trifluoride","IUPAC Name Systematic":"Cobalt(3+);trifluoride","IUPAC Name Traditional":"Cobaltic;trifluoride",InChI:"1S/Co.3FH/h;3*1H/q+3;;;/p-3",InChIKey:"WZJQNLGQTOCWDS-UHFFFAOYSA-K","Exact Mass":115.928403,"Molecular Formula":"CoF3","Molecular Weight":115.9284,"Monoisotopic Mass":115.928403,Charge:0,"Easy Name":"Cobalt (III) fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Co1F3"},6432115:{PUBCHEM:{CID:"6432115","Compound Complexity":34.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(Z)-1,4-dichlorobut-2-ene","IUPAC Name CAS-like Style":"(Z)-1,4-dichloro-2-butene","IUPAC Name Markup":"(Z)-1,4-dichlorobut-2-ene","IUPAC Name Preferred":"(Z)-1,4-dichlorobut-2-ene","IUPAC Name Systematic":"(Z)-1,4-bis(chloranyl)but-2-ene","IUPAC Name Traditional":"(Z)-1,4-dichlorobut-2-ene",InChI:"1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1-",InChIKey:"FQDIANVAWVHZIR-UPHRSURJSA-N","Log P":1.7,"Exact Mass":123.9846556,"Molecular Formula":"C4H6Cl2","Molecular Weight":124.99,"Monoisotopic Mass":123.9846556,Charge:0,"Easy Name":"Cis-1, 4-Dichloro-2-butene","Easy Category":"Alkene"},HSDB:{"Boiling Point":{Value:"155.4 °C"},"Color And Form":{Value:"COLORLESS LIQUID"},"Critical Temperature And Pressure":{Value:"Critical temperature = 646 deg K; Critical pressure = 3.78X10+6 Pa"},Density:{Value:"1.183 @ 25 °C/4 °C"},"Heat Of Vaporization":{Value:"130 Btu/lb = 73 cal/g = 3.1x10+5 J/kg"},"Melting Point":{Value:"2 °C"},Odor:{Value:"DISTINCT ODOR"},"Refractive Index":{Value:"Index of refraction: 1.4871 @ 25 °C"},Solubility:{Value:"Sol in alcohol, ether, acetone, benzene"},Uses:{Value:"CHEMICAL INTERMEDIATE FOR HEXAMETHYLENEDIAMINE & CHLOROPRENE"},"Vapor Pressure":{Value:"3.43 mm Hg @ 25 °C"},Viscosity:{Value:"1.293X10-3 Pa-sec @ melting point"}},ReducedFormula:"C4Cl2H6"},6432469:{PUBCHEM:{CID:"6432469","Compound Complexity":149,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,5S)-2-isopropyl-5-methyl-cyclohexanone","IUPAC Name CAS-like Style":"(2S,5S)-5-methyl-2-propan-2-yl-1-cyclohexanone","IUPAC Name Markup":"(2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one","IUPAC Name Preferred":"(2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one","IUPAC Name Systematic":"(2S,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-one","IUPAC Name Traditional":"(2S,5S)-2-isopropyl-5-methyl-cyclohexanone",InChI:"1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1",InChIKey:"NFLGAXVYCFJBMK-IUCAKERBSA-N","Log P":2.7,"Exact Mass":154.1357652,"Molecular Formula":"C10H18O","Molecular Weight":154.25,"Monoisotopic Mass":154.1357652,Charge:0,"Easy Name":" (-)-isomenthone","Easy Category":"Terpenoid"},HSDB:{},ReducedFormula:"C10H18O1"},6433154:{PUBCHEM:{CID:"6433154","Compound Complexity":642,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","IUPAC Name CAS-like Style":"(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]-1-cyclopent-2-enyl] ester","IUPAC Name Markup":"[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate","IUPAC Name Preferred":"[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate","IUPAC Name Systematic":"[(1S)-2-methyl-4-oxidanylidene-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate","IUPAC Name Traditional":"(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid [(1S)-4-keto-2-methyl-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] ester",InChI:"1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+/t16-,18+,19+/m1/s1",InChIKey:"ROVGZAWFACYCSP-WIURDZCKSA-N","Log P":5.4,"Exact Mass":328.20384476,"Molecular Formula":"C21H28O3","Molecular Weight":328.4,"Monoisotopic Mass":328.20384476,Charge:0,"Easy Name":"Pyrethrin I","Easy Category":"Pyrethrin"},HSDB:{"Color And Form":{Value:"Viscous liquid"},Density:{Value:"1.5192 g/cu cm at 18 °C"},"Refractive Index":{Value:"Index of refraction 1.5192 at 18 °C/D"},Solubility:{Value:"Soluble in kerosene, ethylene dichloride, nitromethane."},Uses:{Value:"For Pyrethrin I /a component of pyrethrum/ (USEPA/OPP Pesticide Code: 069008) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.03X10-5 mm Hg at 25 °C"}},ReducedFormula:"C21H28O3"},6433155:{PUBCHEM:{CID:"6433155","Compound Complexity":751,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate","IUPAC Name CAS-like Style":"(1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]-1-cyclopent-2-enyl] ester","IUPAC Name Markup":"[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Preferred":"[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Systematic":"[(1S)-2-methyl-4-oxidanylidene-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate","IUPAC Name Traditional":"(1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid [(1S)-4-keto-2-methyl-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] ester",InChI:"1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+/t16-,18+,19+/m1/s1",InChIKey:"VJFUPGQZSXIULQ-QYVAASDLSA-N","Log P":4.4,"Exact Mass":372.193674,"Molecular Formula":"C22H28O5","Molecular Weight":372.5,"Monoisotopic Mass":372.193674,Charge:0,"Easy Name":"Pyretrin II","Easy Category":"Pyrethrin"},HSDB:{"Color And Form":{Value:"Viscous liquid"},"Refractive Index":{Value:"Index of refraction: 1.5258 at 20 °C/D"},Solubility:{Value:"Soluble in ethanol, ether, carbon tetrachloride"},Uses:{Value:"For Pyrethrin II /a component of pyrethrum/ (USEPA/OPP Pesticide Code: 069006) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"3.98X10-7 mm Hg at 25 °C"}},ReducedFormula:"C22H28O5"},6433192:{PUBCHEM:{CID:"6433192","Compound Complexity":2130,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":22,"IUPAC Name Allowed":"Magnesium;methyl (3R,21S,22S)-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-16-vinyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate","IUPAC Name CAS-like Style":"Magnesium;(3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylic acid methyl ester","IUPAC Name Markup":"Magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate","IUPAC Name Preferred":"Magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate","IUPAC Name Systematic":"Magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxidanylidene-22-[3-oxidanylidene-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate","IUPAC Name Traditional":"Magnesium;(3R,21S,22S)-11-ethyl-4-keto-22-[3-keto-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-12,17,21,26-tetramethyl-16-vinyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylic acid methyl ester",InChI:"1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32?,33?,37-,41-,51+;/m0./s1",InChIKey:"ATNHDLDRLWWWCB-WJQLOWBJSA-M","Exact Mass":892.5353131,"Molecular Formula":"C55H72MgN4O5","Molecular Weight":893.5,"Monoisotopic Mass":892.5353131,Charge:0,"Easy Name":"Chlorophyll a","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"C55H72Mg1N4O5"},6433396:{PUBCHEM:{CID:"6433396","Compound Complexity":224,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"1-[(E)-3-chloroallyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride","IUPAC Name CAS-like Style":"1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride","IUPAC Name Markup":"1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride","IUPAC Name Preferred":"1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride","IUPAC Name Systematic":"1-[(E)-3-chloranylprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride","IUPAC Name Traditional":"1-[(E)-3-chloroallyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride",InChI:"1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1+;",InChIKey:"UKHVLWKBNNSRRR-TYYBGVCCSA-M","Exact Mass":250.0752019,"Molecular Formula":"C9H16Cl2N4","Molecular Weight":251.15,"Monoisotopic Mass":250.0752019,Charge:0,"Easy Name":"Quaternium-15","Easy Category":"Preservative"},HSDB:{"Boiling Point":{Value:"Decomposes above 60 °C"},"Color And Form":{Value:"Cream colored powder"},Density:{Value:"0.4 g/cu cm (bulk density)"},"Melting Point":{Value:"178-210 °C"},Odor:{Value:"Pungent odor"},pH:{Value:"pH = 5.57 at 24 °C"},Solubility:{Value:"Solubility at 25 °C (g/100 g): water 127.2"},Uses:{Value:"For N-(3-chloroallyl)hexaminium chloride (USEPA/OPP Pesticide Code: 017901) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"<1.0X10-7 mm Hg at 25 °C"}},ReducedFormula:"C9Cl2H16N4"},6433718:{PUBCHEM:{CID:"6433718","Compound Complexity":780,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name CAS-like Style":"Disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name Markup":"Disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name Preferred":"Disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name Systematic":"Disodium;2',4',5',7'-tetrakis(bromanyl)-4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name Traditional":"Disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-keto-spiro[phthalan-1,9'-xanthene]-3',6'-diolate",InChI:"1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;;/h1-2,29-30H;;/q;2*+1/p-2",InChIKey:"OOYIOIOOWUGAHD-UHFFFAOYSA-L","Exact Mass":829.51147,"Molecular Formula":"C20H2Br4Cl4Na2O5","Molecular Weight":829.6,"Monoisotopic Mass":823.51852,Charge:0,"Easy Name":"Phloxine B","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br4C20Cl4H2Na2O5"},6435894:{PUBCHEM:{CID:"6435894","Compound Complexity":924,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":10,"IUPAC Name Allowed":"Methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxo-undeca-3,5,7,9-tetraenoate","IUPAC Name CAS-like Style":"(2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoic acid methyl ester","IUPAC Name Markup":"Methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate","IUPAC Name Preferred":"Methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate","IUPAC Name Systematic":"Methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-(2-hydroxyethyl)-4-oxidanyl-2-oxidanylidene-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxidanylidene-undeca-3,5,7,9-tetraenoate","IUPAC Name Traditional":"(2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-keto-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-11-keto-4,6,10-trimethyl-undeca-3,5,7,9-tetraenoic acid methyl ester",InChI:"1S/C23H29NO7/c1-6-17(19(27)30-5)13-15(3)12-14(2)8-7-9-16(4)18(26)23-20(31-23)22(29,10-11-25)24-21(23)28/h6-9,12-13,20,25,29H,10-11H2,1-5H3,(H,24,28)/b8-7+,14-12+,15-13+,16-9+,17-6+/t20-,22-,23-/m0/s1",InChIKey:"FZFYFSUIOSWLHW-UNZVFGKVSA-N","Log P":3,"Exact Mass":431.19440228,"Molecular Formula":"C23H29NO7","Molecular Weight":431.5,"Monoisotopic Mass":431.19440228,Charge:0,"Easy Name":"Fusarin C","Easy Category":"Lactam"},HSDB:{"Color And Form":{Value:"Yellow oil"},Solubility:{Value:"Soluble in ethanol and methanol."}},ReducedFormula:"C23H29N1O7"},6436048:{PUBCHEM:{CID:"6436048","Compound Complexity":847,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"O5-[(E)-cinnamyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name CAS-like Style":"2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[(E)-3-phenylprop-2-enyl] ester","IUPAC Name Markup":"3-O-methyl 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Preferred":"3-O-methyl 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Systematic":"O3-methyl O5-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","IUPAC Name Traditional":"2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[(E)-cinnamyl] ester O3-methyl ester",InChI:"1S/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,23,26H,14H2,1-3H3/b11-8+",InChIKey:"XTFPDGZNWTZCMF-DHZHZOJOSA-N","Log P":4.7,"Exact Mass":448.1634365,"Molecular Formula":"C25H24N2O6","Molecular Weight":448.5,"Monoisotopic Mass":448.1634365,Charge:0,"Easy Name":"Pranidipine","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C25H24N2O6"},6436083:{PUBCHEM:{CID:"6436083","Compound Complexity":567,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"(4E)-1-isopentyl-4-[(1-isopentylquinolin-1-ium-4-yl)methylene]quinoline;iodide","IUPAC Name CAS-like Style":"(4E)-1-(3-methylbutyl)-4-[[1-(3-methylbutyl)-4-quinolin-1-iumyl]methylidene]quinoline;iodide","IUPAC Name Markup":"(4E)-1-(3-methylbutyl)-4-[[1-(3-methylbutyl)quinolin-1-ium-4-yl]methylidene]quinoline;iodide","IUPAC Name Preferred":"(4E)-1-(3-methylbutyl)-4-[[1-(3-methylbutyl)quinolin-1-ium-4-yl]methylidene]quinoline;iodide","IUPAC Name Systematic":"(4E)-1-(3-methylbutyl)-4-[[1-(3-methylbutyl)quinolin-1-ium-4-yl]methylidene]quinoline;iodide","IUPAC Name Traditional":"(4E)-1-isoamyl-4-[(1-isoamylquinolin-1-ium-4-yl)methylene]quinoline;iodide",InChI:"1S/C29H35N2.HI/c1-22(2)13-17-30-19-15-24(26-9-5-7-11-28(26)30)21-25-16-20-31(18-14-23(3)4)29-12-8-6-10-27(25)29;/h5-12,15-16,19-23H,13-14,17-18H2,1-4H3;1H/q+1;/p-1",InChIKey:"QGKMIGUHVLGJBR-UHFFFAOYSA-M","Exact Mass":538.1845,"Molecular Formula":"C29H35IN2","Molecular Weight":538.5,"Monoisotopic Mass":538.1845,Charge:0,"Easy Name":"Quinoline Blue","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C29H35I1N2"},6436464:{PUBCHEM:{CID:"6436464","Compound Complexity":429,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":8,"IUPAC Name Allowed":"(2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol","IUPAC Name CAS-like Style":"(2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol","IUPAC Name Markup":"(2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol","IUPAC Name Preferred":"(2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol","IUPAC Name Systematic":"(2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol","IUPAC Name Traditional":"(2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol",InChI:"1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11+",InChIKey:"UPXPHJXYZGEBCW-JHTNEVNSSA-N","Log P":3.4,"Exact Mass":258.16197995,"Molecular Formula":"C17H22O2","Molecular Weight":258.35,"Monoisotopic Mass":258.16197995,Charge:0,"Easy Name":"Enanthotoxin","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C17H22O2"},6437352:{PUBCHEM:{CID:"6437352","Compound Complexity":408,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"(4S,8S,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name CAS-like Style":"(4S,8S,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name Markup":"(4S,8S,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name Preferred":"(4S,8S,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name Systematic":"(4S,8S,12E)-4-methyl-8,16,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one","IUPAC Name Traditional":"(4S,8S,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one",InChI:"1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1",InChIKey:"FPQFYIAXQDXNOR-PMRAARRBSA-N","Log P":4,"Exact Mass":320.16237387,"Molecular Formula":"C18H24O5","Molecular Weight":320.4,"Monoisotopic Mass":320.16237387,Charge:0,"Easy Name":"Beta-Zearalenol","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C18H24O5"},6438143:{PUBCHEM:{CID:"6438143","Compound Complexity":417,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"(5S,9E)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione","IUPAC Name CAS-like Style":"(5S,9E)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione","IUPAC Name Markup":"(5S,9E)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione","IUPAC Name Preferred":"(5S,9E)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione","IUPAC Name Systematic":"(5S,9E)-5-methyl-13,15-bis(oxidanyl)-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione","IUPAC Name Traditional":"(5S,9E)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-quinone",InChI:"1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+/t10-/m0/s1",InChIKey:"AVIRMQMUBGNCKS-RWCYGVJQSA-N","Log P":3,"Exact Mass":290.11542368,"Molecular Formula":"C16H18O5","Molecular Weight":290.31,"Monoisotopic Mass":290.11542368,Charge:0,"Easy Name":"Dehydrocurvularin","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C16H18O5"},6438266:{PUBCHEM:{CID:"6438266","Compound Complexity":1580,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":6,"Rotatable Bond":9,"IUPAC Name Allowed":"[(E,5R)-5-hydroxy-5-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-1,1-dimethyl-4-oxo-hex-2-enyl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] ester","IUPAC Name Markup":"[(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Preferred":"[(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate","IUPAC Name Systematic":"[(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-16-oxidanyl-3,11-bis(oxidanylidene)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-6-oxidanyl-5-oxidanylidene-hept-3-en-2-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(E,5R)-5-hydroxy-5-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-4-keto-1,1-dimethyl-hex-2-enyl] ester",InChI:"1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+/t20-,21-,23-,24+,27-,28+,29-,30+,32?,35+,36-,37+,38+/m1/s1",InChIKey:"QKEJRKXVLGOJMB-BWAYIRJDSA-N","Log P":1.4,"Exact Mass":718.3564418,"Molecular Formula":"C38H54O13","Molecular Weight":718.8,"Monoisotopic Mass":718.3564418,Charge:0,"Easy Name":"Elaterinide","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C38H54O13"},6438343:{PUBCHEM:{CID:"6438343","Compound Complexity":733,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin","IUPAC Name CAS-like Style":"(5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin","IUPAC Name Markup":"(5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin","IUPAC Name Preferred":"(5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin","IUPAC Name Systematic":"(5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin","IUPAC Name Traditional":"(5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin",InChI:"1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h9-11,18-20H,1-8H2/b12-9-,14-10-,15-11-",InChIKey:"PXOPDYTVWWQZEK-DPQCFBEESA-N","Log P":.3,"Exact Mass":306.18444673,"Molecular Formula":"C19H22N4","Molecular Weight":306.4,"Monoisotopic Mass":306.18444673,Charge:0,"Easy Name":" (5Z, 9Z, 14Z)-2, 3, 7, 8, 12, 13, 17, 18, 19, 22-decahydro-1H-corrin","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C19H22N4"},6438394:{PUBCHEM:{CID:"6438394","Compound Complexity":468,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":18,"IUPAC Name Allowed":"(E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-icos-6-enoic acid","IUPAC Name CAS-like Style":"(E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid","IUPAC Name Markup":"(E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid","IUPAC Name Preferred":"(E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid","IUPAC Name Systematic":"(E,2S,3R,4R)-2-azanyl-2-(hydroxymethyl)-3,4-bis(oxidanyl)-14-oxidanylidene-icos-6-enoic acid","IUPAC Name Traditional":"(E,2S,3R,4R)-2-amino-3,4-dihydroxy-14-keto-2-methylol-eicos-6-enoic acid",InChI:"1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1",InChIKey:"ZZIKIHCNFWXKDY-GNTQXERDSA-N","Log P":-.1,"Exact Mass":401.27773798,"Molecular Formula":"C21H39NO6","Molecular Weight":401.5,"Monoisotopic Mass":401.27773798,Charge:0,"Easy Name":"Myriocin","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"C21H39N1O6"},6440617:{PUBCHEM:{CID:"6440617","Compound Complexity":294,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"4-[(1Z)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol","IUPAC Name CAS-like Style":"4-[(1Z)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol","IUPAC Name Markup":"4-[(1Z)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol","IUPAC Name Preferred":"4-[(1Z)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol","IUPAC Name Systematic":"4-[(1Z)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol","IUPAC Name Traditional":"4-[(1Z)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol",InChI:"1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3-",InChIKey:"VEAUNWQYYMXIRB-UTCJRWHESA-N","Log P":4.4,"Exact Mass":252.11502976,"Molecular Formula":"C17H16O2","Molecular Weight":252.31,"Monoisotopic Mass":252.11502976,Charge:0,"Easy Name":"Nyasol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C17H16O2"},6441269:{PUBCHEM:{CID:"6441269","Compound Complexity":658,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":8,"Rotatable Bond":6,"IUPAC Name Allowed":"(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]prop-2-en-1-one","IUPAC Name CAS-like Style":"(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-2-propen-1-one","IUPAC Name Markup":"(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one","IUPAC Name Preferred":"(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one","IUPAC Name Systematic":"(E)-3-[3,4-bis(oxidanyl)phenyl]-1-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3-bis(oxidanyl)phenyl]prop-2-en-1-one","IUPAC Name Traditional":"(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]prop-2-en-1-one",InChI:"1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2/b4-1+/t15-,18-,19+,20-,21-/m1/s1",InChIKey:"XGEYXJDOVMEJNG-HTFDPZBKSA-N","Log P":.7,"Exact Mass":450.11621152,"Molecular Formula":"C21H22O11","Molecular Weight":450.4,"Monoisotopic Mass":450.11621152,Charge:0,"Easy Name":"Marein","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H22O11"},6441504:{PUBCHEM:{CID:"6441504","Compound Complexity":2300,"Hydrogen Bond Acceptor":48,"Hydrogen Bond Donor":26,"Rotatable Bond":32,"IUPAC Name Allowed":"(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]tetrahydropyran-2-carboxylic acid;(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid;(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid;(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid;(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-4-oxidanyl-oxane-2-carboxylic acid;(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-4-oxidanyl-oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetoxy-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-4,8a-dimethylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]tetrahydropyran-2-carboxylic acid;(2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetoxy-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-4,8a-dimethylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]tetrahydropyran-2-carboxylic acid",InChI:"1S/2C55H86O24/c2*1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h2*10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+;23-10-/t2*26?,27-,28-,29?,30?,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,47+,48+,49-,51+,52-,53-,54-,55+/m11/s1",InChIKey:"YFESOSRPNPYODN-QMVIDXKDSA-N","Exact Mass":2262.1051621,"Molecular Formula":"C110H172O48","Molecular Weight":2262.5,"Monoisotopic Mass":2261.1018073,Charge:0,"Easy Name":"Alpha-Aescin","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C110H172O48"},6441569:{PUBCHEM:{CID:"6441569","Compound Complexity":878,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(4E,12E)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione","IUPAC Name CAS-like Style":"(4E,12E)-6-hydroxy-10,17,18-trimethyl-20-(phenylmethyl)-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione","IUPAC Name Markup":"(4E,12E)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione","IUPAC Name Preferred":"(4E,12E)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione","IUPAC Name Systematic":"(4E,12E)-10,17,18-trimethyl-6-oxidanyl-20-(phenylmethyl)-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione","IUPAC Name Traditional":"(4E,12E)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-quinone",InChI:"1S/C29H37NO5/c1-18-9-7-13-21(31)15-16-24(32)34-29-22(14-8-10-18)26-28(3,35-26)19(2)25(29)23(30-27(29)33)17-20-11-5-4-6-12-20/h4-6,8,11-12,14-16,18-19,21-23,25-26,31H,7,9-10,13,17H2,1-3H3,(H,30,33)/b14-8+,16-15+",InChIKey:"CXWYFIYZAZBQGQ-LFKALUBKSA-N","Log P":4.6,"Exact Mass":479.2671733,"Molecular Formula":"C29H37NO5","Molecular Weight":479.6,"Monoisotopic Mass":479.2671733,Charge:0,"Easy Name":"Cytochalasin F","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C29H37N1O5"},6442086:{PUBCHEM:{CID:"6442086","Compound Complexity":876,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":8,"IUPAC Name Allowed":"Methyl (2E,3E,5E,7E,9E)-11-[(3aS,6S,6aR)-3a-hydroxy-5-oxo-3,4,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]-2-ethylidene-4,6,10-trimethyl-11-oxo-undeca-3,5,7,9-tetraenoate","IUPAC Name CAS-like Style":"(2E,3E,5E,7E,9E)-11-[(3aS,6S,6aR)-3a-hydroxy-5-oxo-3,4,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]-2-ethylidene-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoic acid methyl ester","IUPAC Name Markup":"Methyl (2E,3E,5E,7E,9E)-11-[(3aS,6S,6aR)-3a-hydroxy-5-oxo-3,4,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]-2-ethylidene-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate","IUPAC Name Preferred":"Methyl (2E,3E,5E,7E,9E)-11-[(3aS,6S,6aR)-3a-hydroxy-5-oxo-3,4,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]-2-ethylidene-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate","IUPAC Name Systematic":"Methyl (2E,3E,5E,7E,9E)-11-[(3aS,6S,6aR)-3a-oxidanyl-5-oxidanylidene-3,4,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]-2-ethylidene-4,6,10-trimethyl-11-oxidanylidene-undeca-3,5,7,9-tetraenoate","IUPAC Name Traditional":"(2E,3E,5E,7E,9E)-11-[(3aS,6S,6aR)-3a-hydroxy-5-keto-3,4,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]-2-ethylidene-11-keto-4,6,10-trimethyl-undeca-3,5,7,9-tetraenoic acid methyl ester",InChI:"1S/C23H29NO6/c1-6-17(22(27)29-5)13-15(3)12-14(2)8-7-9-16(4)19(25)18-20-23(28,10-11-30-20)24-21(18)26/h6-9,12-13,18,20,28H,10-11H2,1-5H3,(H,24,26)/b8-7+,14-12+,15-13+,16-9+,17-6+/t18-,20-,23+/m1/s1",InChIKey:"UOPODNWYGYPLAE-IOAWLMGGSA-N","Log P":3.2,"Exact Mass":415.19948766,"Molecular Formula":"C23H29NO6","Molecular Weight":415.5,"Monoisotopic Mass":415.19948766,Charge:0,"Easy Name":"Fusarin A","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C23H29N1O6"},6442560:{PUBCHEM:{CID:"6442560","Compound Complexity":325,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":11,"IUPAC Name Allowed":"(E)-1-(4-hydroxy-3-methoxy-phenyl)dodec-4-en-3-one","IUPAC Name CAS-like Style":"(E)-1-(4-hydroxy-3-methoxyphenyl)-4-dodecen-3-one","IUPAC Name Markup":"(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one","IUPAC Name Preferred":"(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one","IUPAC Name Systematic":"(E)-1-(3-methoxy-4-oxidanyl-phenyl)dodec-4-en-3-one","IUPAC Name Traditional":"(E)-1-(4-hydroxy-3-methoxy-phenyl)dodec-4-en-3-one",InChI:"1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3/b10-9+",InChIKey:"LGZSMXJRMTYABD-MDZDMXLPSA-N","Log P":4.8,"Exact Mass":304.20384476,"Molecular Formula":"C19H28O3","Molecular Weight":304.4,"Monoisotopic Mass":304.20384476,Charge:0,"Easy Name":"8-Shogaol","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C19H28O3"},6442612:{PUBCHEM:{CID:"6442612","Compound Complexity":351,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":13,"IUPAC Name Allowed":"(E)-1-(4-hydroxy-3-methoxy-phenyl)tetradec-4-en-3-one","IUPAC Name CAS-like Style":"(E)-1-(4-hydroxy-3-methoxyphenyl)-4-tetradecen-3-one","IUPAC Name Markup":"(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one","IUPAC Name Preferred":"(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one","IUPAC Name Systematic":"(E)-1-(3-methoxy-4-oxidanyl-phenyl)tetradec-4-en-3-one","IUPAC Name Traditional":"(E)-1-(4-hydroxy-3-methoxy-phenyl)tetradec-4-en-3-one",InChI:"1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3/b12-11+",InChIKey:"FADFGCOCHHNRHF-VAWYXSNFSA-N","Log P":5.9,"Exact Mass":332.23514489,"Molecular Formula":"C21H32O3","Molecular Weight":332.5,"Monoisotopic Mass":332.23514489,Charge:0,"Easy Name":" (4E)-1- (4-Hydroxy-3-methoxyphenyl)-4-tetradecen-3-one","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C21H32O3"},6443968:{PUBCHEM:{CID:"6443968","Compound Complexity":283,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxo-cyclopentyl]acetic acid","IUPAC Name CAS-like Style":"2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid","IUPAC Name Markup":"2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid","IUPAC Name Preferred":"2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid","IUPAC Name Systematic":"2-[(1R,2S)-3-oxidanylidene-2-[(Z)-5-oxidanylpent-2-enyl]cyclopentyl]ethanoic acid","IUPAC Name Traditional":"2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-keto-cyclopentyl]acetic acid",InChI:"1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10+/m1/s1",InChIKey:"RZGFUGXQKMEMOO-SZXTZRQCSA-N","Log P":.4,"Exact Mass":226.12050906,"Molecular Formula":"C12H18O4","Molecular Weight":226.27,"Monoisotopic Mass":226.12050906,Charge:0,"Easy Name":"Tuberonic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H18O4"},6444391:{PUBCHEM:{CID:"6444391","Compound Complexity":457,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"2-[1-[[(E)-3-chloroallyloxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione","IUPAC Name CAS-like Style":"2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-[2-(ethylthio)propyl]cyclohexane-1,3-dione","IUPAC Name Markup":"2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione","IUPAC Name Preferred":"2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione","IUPAC Name Systematic":"2-[1-[[(E)-3-chloranylprop-2-enoxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione","IUPAC Name Traditional":"2-[1-[[(E)-3-chloroallyloxy]amino]propylidene]-5-[2-(ethylthio)propyl]cyclohexane-1,3-quinone",InChI:"1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,19H,4-5,8-11H2,1-3H3/b7-6+,17-14?",InChIKey:"INNPZTGYZSAJFN-ZTVUPKSFSA-N","Log P":4.3,"Exact Mass":359.1321926,"Molecular Formula":"C17H26ClNO3S","Molecular Weight":359.9,"Monoisotopic Mass":359.1321926,Charge:0,"Easy Name":"Clethodim","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C17Cl1H26N1O3S1"},6449780:{PUBCHEM:{CID:"6449780","Compound Complexity":299,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":14,"IUPAC Name Allowed":"(Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid","IUPAC Name CAS-like Style":"(Z)-11-[(2S,3R)-3-pentyl-2-oxiranyl]-9-undecenoic acid","IUPAC Name Markup":"(Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid","IUPAC Name Preferred":"(Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid","IUPAC Name Systematic":"(Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid","IUPAC Name Traditional":"(Z)-11-[(2S,3R)-3-amyloxiran-2-yl]undec-9-enoic acid",InChI:"1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1",InChIKey:"CCPPLLJZDQAOHD-GJGKEFFFSA-N","Log P":5.6,"Exact Mass":296.23514489,"Molecular Formula":"C18H32O3","Molecular Weight":296.4,"Monoisotopic Mass":296.23514489,Charge:0,"Easy Name":" (+)-Vernolic Acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C18H32O3"},6450219:{PUBCHEM:{CID:"6450219","Compound Complexity":1150,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"[(1S,3R,6S,12S,15R,16R)-15-(1,5-dimethylhex-4-enyl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate","IUPAC Name CAS-like Style":"(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(1S,3R,6S,12S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ester","IUPAC Name Markup":"[(1S,3R,6S,12S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","IUPAC Name Preferred":"[(1S,3R,6S,12S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","IUPAC Name Systematic":"[(1S,3R,6S,12S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate","IUPAC Name Traditional":"(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(1S,3R,6S,12S,15R,16R)-15-(1,5-dimethylhex-4-enyl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ester",InChI:"1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27?,29-,32?,33?,34+,37-,38+,39-,40+/m1/s1",InChIKey:"FODTZLFLDFKIQH-AEUNZGHWSA-N","Log P":12.1,"Exact Mass":602.43351035,"Molecular Formula":"C40H58O4","Molecular Weight":602.9,"Monoisotopic Mass":602.43351035,Charge:0,"Easy Name":"Gamma-oryzanol","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C40H58O4"},6451168:{PUBCHEM:{CID:"6451168","Compound Complexity":196,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":30,"IUPAC Name Allowed":"Cobaltous;octadecanoate","IUPAC Name CAS-like Style":"Cobalt(2+);octadecanoate","IUPAC Name Markup":"Cobalt(2+);octadecanoate","IUPAC Name Preferred":"Cobalt(2+);octadecanoate","IUPAC Name Systematic":"Cobalt(2+);octadecanoate","IUPAC Name Traditional":"Cobaltous;stearate",InChI:"1S/2C18H36O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",InChIKey:"AMFIJXSMYBKJQV-UHFFFAOYSA-L","Exact Mass":625.460604,"Molecular Formula":"C36H70CoO4","Molecular Weight":625.9,"Monoisotopic Mass":625.460604,Charge:0,"Easy Name":"Cobalt (II) stearate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C36Co1H70O4"},6451314:{PUBCHEM:{CID:"6451314","Compound Complexity":876,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"Trisodium;4-[4-[2-(2-arsonato-4-nitro-phenyl)iminohydrazino]phenyl]azobenzenesulfonate","IUPAC Name CAS-like Style":"Trisodium;4-[4-[2-(2-arsonato-4-nitrophenyl)iminohydrazinyl]phenyl]azobenzenesulfonate","IUPAC Name Markup":"Trisodium;4-[[4-[2-(2-arsonato-4-nitrophenyl)iminohydrazinyl]phenyl]diazenyl]benzenesulfonate","IUPAC Name Preferred":"Trisodium;4-[[4-[2-(2-arsonato-4-nitrophenyl)iminohydrazinyl]phenyl]diazenyl]benzenesulfonate","IUPAC Name Systematic":"Trisodium;4-[[4-[2-(2-arsonato-4-nitro-phenyl)iminohydrazinyl]phenyl]diazenyl]benzenesulfonate","IUPAC Name Traditional":"Trisodium;4-[4-[N'-(2-arsonato-4-nitro-phenyl)iminohydrazino]phenyl]azobesylate",InChI:"1S/C18H15AsN6O8S.3Na/c26-19(27,28)17-11-15(25(29)30)7-10-18(17)23-24-22-14-3-1-12(2-4-14)20-21-13-5-8-16(9-6-13)34(31,32)33;;;/h1-11H,(H,22,23)(H2,26,27,28)(H,31,32,33);;;/q;3*+1/p-3",InChIKey:"ZMKJQESOJVXFDM-UHFFFAOYSA-K","Exact Mass":615.934635,"Molecular Formula":"C18H12AsN6Na3O8S","Molecular Weight":616.3,"Monoisotopic Mass":615.934635,Charge:0,"Easy Name":"Sulfarsazen","Easy Category":"Complexometric indicator"},HSDB:{},ReducedFormula:"As1C18H12N6Na3O8S1"},6451349:{PUBCHEM:{CID:"6451349","Compound Complexity":291,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"6a,11a-dihydro-6H-benzofuro[3,2-c]chromene","IUPAC Name CAS-like Style":"6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran","IUPAC Name Markup":"6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene","IUPAC Name Preferred":"6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene","IUPAC Name Systematic":"6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene","IUPAC Name Traditional":"6a,11a-dihydro-6H-benzofuro[3,2-c]chromene",InChI:"1S/C15H12O2/c1-4-8-14-10(5-1)12-9-16-13-7-3-2-6-11(13)15(12)17-14/h1-8,12,15H,9H2",InChIKey:"LZEPVVDVBJUKSG-UHFFFAOYSA-N","Log P":3,"Exact Mass":224.08372963,"Molecular Formula":"C15H12O2","Molecular Weight":224.25,"Monoisotopic Mass":224.08372963,Charge:0,"Easy Name":"Pterocarpan","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C15H12O2"},6451463:{PUBCHEM:{CID:"6451463","Compound Complexity":30.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,4-oxadiazole","IUPAC Name CAS-like Style":"1,2,4-oxadiazole","IUPAC Name Markup":"1,2,4-oxadiazole","IUPAC Name Preferred":"1,2,4-oxadiazole","IUPAC Name Systematic":"1,2,4-oxadiazole","IUPAC Name Traditional":"1,2,4-oxadiazole",InChI:"1S/C2H2N2O/c1-3-2-5-4-1/h1-2H",InChIKey:"BBVIDBNAYOIXOE-UHFFFAOYSA-N","Log P":.1,"Exact Mass":70.016712693,"Molecular Formula":"C2H2N2O","Molecular Weight":70.05,"Monoisotopic Mass":70.016712693,Charge:0,"Easy Name":"1, 2, 4-oxadiazole","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C2H2N2O1"},6451676:{PUBCHEM:{CID:"6451676","Compound Complexity":123,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"Ferrous;(2R,3R)-2,3-dihydroxybutanedioate","IUPAC Name CAS-like Style":"(2R,3R)-2,3-dihydroxybutanedioate;iron(2+)","IUPAC Name Markup":"(2R,3R)-2,3-dihydroxybutanedioate;iron(2+)","IUPAC Name Preferred":"(2R,3R)-2,3-dihydroxybutanedioate;iron(2+)","IUPAC Name Systematic":"(2R,3R)-2,3-bis(oxidanyl)butanedioate;iron(2+)","IUPAC Name Traditional":"Ferrous;(2R,3R)-2,3-dihydroxysuccinate",InChI:"1S/C4H6O6.Fe/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2/t1-,2-;/m1./s1",InChIKey:"OHZCFWMJMWFNFP-ZVGUSBNCSA-L","Exact Mass":203.935723,"Molecular Formula":"C4H4FeO6","Molecular Weight":203.92,"Monoisotopic Mass":203.935723,Charge:0,"Easy Name":"Iron (II) tartrate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C4Fe1H4O6"},6452300:{PUBCHEM:{CID:"6452300","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromic;trichloride","IUPAC Name CAS-like Style":"Chromium(3+);trichloride","IUPAC Name Markup":"Chromium(3+);trichloride","IUPAC Name Preferred":"Chromium(3+);trichloride","IUPAC Name Systematic":"Chromium(3+);trichloride","IUPAC Name Traditional":"Chromic;trichloride",InChI:"1S/3ClH.Cr/h3*1H;/q;;;+3/p-3",InChIKey:"QSWDMMVNRMROPK-UHFFFAOYSA-K","Exact Mass":156.847063,"Molecular Formula":"Cl3Cr","Molecular Weight":158.35,"Monoisotopic Mass":156.847063,Charge:0,"Easy Name":"Chromium (III) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl3Cr1"},6453427:{PUBCHEM:{CID:"6453427","Compound Complexity":362,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":11,"IUPAC Name Allowed":"4-methylene-5-oxo-2-undecyl-tetrahydrofuran-3-carboxylic acid","IUPAC Name CAS-like Style":"4-methylene-5-oxo-2-undecyl-3-oxolanecarboxylic acid","IUPAC Name Markup":"4-methylidene-5-oxo-2-undecyloxolane-3-carboxylic acid","IUPAC Name Preferred":"4-methylidene-5-oxo-2-undecyloxolane-3-carboxylic acid","IUPAC Name Systematic":"4-methylidene-5-oxidanylidene-2-undecyl-oxolane-3-carboxylic acid","IUPAC Name Traditional":"5-keto-4-methylene-2-undecyl-tetrahydrofuran-3-carboxylic acid",InChI:"1S/C17H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-15(16(18)19)13(2)17(20)21-14/h14-15H,2-12H2,1H3,(H,18,19)",InChIKey:"NZTULKXRMMPZQD-UHFFFAOYSA-N","Log P":5.6,"Exact Mass":296.19875938,"Molecular Formula":"C17H28O4","Molecular Weight":296.4,"Monoisotopic Mass":296.19875938,Charge:0,"Easy Name":"Nephrosterinic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C17H28O4"},6505555:{PUBCHEM:{CID:"6505555","Compound Complexity":941,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"Disodium;(3Z)-3-[(5-chloro-2-hydroxy-phenyl)hydrazono]-5-hydroxy-4-oxo-naphthalene-2,7-disulfonate","IUPAC Name CAS-like Style":"Disodium;(3Z)-3-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Markup":"Disodium;(3Z)-3-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Preferred":"Disodium;(3Z)-3-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Systematic":"Disodium;(3Z)-3-[(5-chloranyl-2-oxidanyl-phenyl)hydrazinylidene]-5-oxidanyl-4-oxidanylidene-naphthalene-2,7-disulfonate","IUPAC Name Traditional":"Disodium;(3Z)-3-[(5-chloro-2-hydroxy-phenyl)hydrazono]-5-hydroxy-4-keto-naphthalene-2,7-disulfonate",InChI:"1S/C16H11ClN2O9S2.2Na/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22;;/h1-6,18,20-21H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b19-15+;;",InChIKey:"RAIRBURLMTXYPH-WTBAQZMLSA-L","Exact Mass":517.9233385,"Molecular Formula":"C16H9ClN2Na2O9S2","Molecular Weight":518.8,"Monoisotopic Mass":517.9233385,Charge:0,"Easy Name":"Eriochrome Blue SE","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C16Cl1H9N2Na2O9S2"},6507024:{PUBCHEM:{CID:"6507024","Compound Complexity":975,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Disodium;(3Z)-5-acetamido-4-oxo-3-(phenylhydrazono)naphthalene-2,7-disulfonate","IUPAC Name CAS-like Style":"Disodium;(3Z)-5-acetamido-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate","IUPAC Name Markup":"Disodium;(3Z)-5-acetamido-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate","IUPAC Name Preferred":"Disodium;(3Z)-5-acetamido-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate","IUPAC Name Systematic":"Disodium;(3Z)-5-acetamido-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate","IUPAC Name Traditional":"Disodium;(3Z)-5-acetamido-4-keto-3-(phenylhydrazono)naphthalene-2,7-disulfonate",InChI:"1S/C18H15N3O8S2.2Na/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12;;/h2-9,20H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b21-17+;;",InChIKey:"YCUAAHNYYJTUJO-PJPLBZAPSA-L","Exact Mass":508.9939453,"Molecular Formula":"C18H13N3Na2O8S2","Molecular Weight":509.4,"Monoisotopic Mass":508.9939453,Charge:0,"Easy Name":"Red 2G","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C18H13N3Na2O8S2"},6602378:{PUBCHEM:{CID:"6602378","Compound Complexity":686,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":6,"Rotatable Bond":7,"IUPAC Name Allowed":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxy-ethanimidothioate","IUPAC Name CAS-like Style":"(1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester","IUPAC Name Markup":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate","IUPAC Name Preferred":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate","IUPAC Name Systematic":"[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxy-ethanimidothioate","IUPAC Name Traditional":"(1Z)-2-(1H-indol-3-yl)-N-sulfoxy-thioacetimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester",InChI:"1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12-/t11-,13-,14+,15-,16+/m1/s1",InChIKey:"DNDNWOWHUWNBCK-PIAXYHQTSA-N","Log P":-.1,"Exact Mass":448.06102258,"Molecular Formula":"C16H20N2O9S2","Molecular Weight":448.5,"Monoisotopic Mass":448.06102258,Charge:0,"Easy Name":"Glucobrassicin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C16H20N2O9S2"},6603885:{PUBCHEM:{CID:"6603885","Compound Complexity":235,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S)-2-amino-2-(3-oxoisoxazol-5-yl)acetic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-2-(3-oxo-5-isoxazolyl)acetic acid","IUPAC Name Markup":"(2S)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid","IUPAC Name Preferred":"(2S)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid","IUPAC Name Systematic":"(2S)-2-azanyl-2-(3-oxidanylidene-1,2-oxazol-5-yl)ethanoic acid","IUPAC Name Traditional":"(2S)-2-amino-2-(3-keto-4-isoxazolin-5-yl)acetic acid",InChI:"1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)/t4-/m0/s1",InChIKey:"IRJCBFDCFXCWGO-BYPYZUCNSA-N","Log P":-3.9,"Exact Mass":158.032756681,"Molecular Formula":"C5H6N2O4","Molecular Weight":158.11,"Monoisotopic Mass":158.032756681,Charge:0,"Easy Name":"L-Ibotenic acid","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C5H6N2O4"},6604200:{PUBCHEM:{CID:"6604200","Compound Complexity":390,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"1-[(E)-(5-nitro-2-furyl)methyleneamino]imidazolidine-2,4-dione","IUPAC Name CAS-like Style":"1-[(E)-(5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione","IUPAC Name Markup":"1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione","IUPAC Name Preferred":"1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione","IUPAC Name Systematic":"1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione","IUPAC Name Traditional":"1-[(E)-(5-nitro-2-furyl)methyleneamino]hydantoin",InChI:"1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+",InChIKey:"NXFQHRVNIOXGAQ-YCRREMRBSA-N","Log P":-.5,"Exact Mass":238.03381931,"Molecular Formula":"C8H6N4O5","Molecular Weight":238.16,"Monoisotopic Mass":238.03381931,Charge:0,"Easy Name":"Nitrofurantoin","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"ORANGE-YELLOW NEEDLES FROM DIL ACETIC ACID"},"Melting Point":{Value:"263 °C"},Odor:{Value:"ODORLESS"},Solubility:{Value:"Soly (mg/100 ml): water (pH 7) 19.0; 95% ethanol 51.0; acetone 510; DMF 8000; peanut oil 2.1; glycerol 60; polyethylene glycol 1500."},Taste:{Value:"HAS BITTER AFTERTASTE"},Uses:{Value:"MEDICATION"}},ReducedFormula:"C8H6N4O5"},6610243:{PUBCHEM:{CID:"6610243","Compound Complexity":1420,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-10-isopropenyl-15,16,33,33-tetramethyl-24-methylene-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol","IUPAC Name CAS-like Style":"(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylene-10-(1-methylethenyl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol","IUPAC Name Markup":"(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol","IUPAC Name Preferred":"(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol","IUPAC Name Systematic":"(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloranyl-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol","IUPAC Name Traditional":"(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-10-isopropenyl-15,16,33,33-tetramethyl-24-methylene-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol",InChI:"1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1",InChIKey:"JDUWHZOLEDOQSR-JKPSMKLGSA-N","Log P":3.8,"Exact Mass":633.2857158,"Molecular Formula":"C37H44ClNO6","Molecular Weight":634.2,"Monoisotopic Mass":633.2857158,Charge:0,"Easy Name":"Penitrem A","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C37Cl1H44N1O6"},6713753:{PUBCHEM:{CID:"6713753","Compound Complexity":19.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S)-butan-2-amine","IUPAC Name CAS-like Style":"(2S)-2-butanamine","IUPAC Name Markup":"(2S)-butan-2-amine","IUPAC Name Preferred":"(2S)-butan-2-amine","IUPAC Name Systematic":"(2S)-butan-2-amine","IUPAC Name Traditional":"[(1S)-1-methylpropyl]amine",InChI:"1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m0/s1",InChIKey:"BHRZNVHARXXAHW-BYPYZUCNSA-N","Log P":.6,"Exact Mass":73.08914936,"Molecular Formula":"C4H11N","Molecular Weight":73.14,"Monoisotopic Mass":73.08914936,Charge:0,"Easy Name":" (S)-2-Aminobutane","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C4H11N1"},6857437:{PUBCHEM:{CID:"6857437","Compound Complexity":18.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxotechnetium","IUPAC Name CAS-like Style":"Dioxotechnetium","IUPAC Name Markup":"Dioxotechnetium","IUPAC Name Preferred":"Dioxotechnetium","IUPAC Name Systematic":"Bis(oxidanylidene)technetium","IUPAC Name Traditional":"Diketotechnetium",InChI:"1S/2O.Tc",InChIKey:"CVKJXWOUXWRRJT-UHFFFAOYSA-N","Exact Mass":129.89704,"Molecular Formula":"O2Tc","Molecular Weight":129.906,"Monoisotopic Mass":129.89704,Charge:0,"Easy Name":"Technetium (IV) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O2Tc1"},6857447:{PUBCHEM:{CID:"6857447","Compound Complexity":475,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":12,"IUPAC Name Allowed":"(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol","IUPAC Name CAS-like Style":"(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol","IUPAC Name Markup":"(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol","IUPAC Name Preferred":"(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol","IUPAC Name Systematic":"(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol","IUPAC Name Traditional":"(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",InChI:"1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",InChIKey:"WGVKWNUPNGFDFJ-DQCZWYHMSA-N","Log P":10.3,"Exact Mass":416.36543079,"Molecular Formula":"C28H48O2","Molecular Weight":416.7,"Monoisotopic Mass":416.36543079,Charge:0,"Easy Name":"Beta-Tocopherol","Easy Category":"Vitamin E"},HSDB:{},ReducedFormula:"C28H48O2"},6857587:{PUBCHEM:{CID:"6857587","Compound Complexity":720,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1(38),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36-nonadecaene","IUPAC Name CAS-like Style":"Nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1(38),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36-nonadecaene","IUPAC Name Markup":"Nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1(38),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36-nonadecaene","IUPAC Name Preferred":"Nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1(38),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36-nonadecaene","IUPAC Name Systematic":"Nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1(38),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36-nonadecaene","IUPAC Name Traditional":"Nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1(38),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36-nonadecaene",InChI:"1S/C38H22/c1-2-6-24-10-28-14-32-18-36-22-38-20-34-16-30-12-26-8-4-3-7-25(26)11-29(30)15-33(34)19-37(38)21-35(36)17-31(32)13-27(28)9-23(24)5-1/h1-22H",InChIKey:"UIFXPOUSHBMMEG-UHFFFAOYSA-N","Log P":9.4,"Exact Mass":478.17215071,"Molecular Formula":"C38H22","Molecular Weight":478.6,"Monoisotopic Mass":478.17215071,Charge:0,"Easy Name":"Nonacene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C38H22"},6857621:{PUBCHEM:{CID:"6857621","Compound Complexity":62.7,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/H6O6Te/c1-7(2,3,4,5)6/h1-6H/p-6",InChIKey:"FXADMRZICBQPQY-UHFFFAOYSA-H","Exact Mass":225.8757105,"Molecular Formula":"O6Te-6","Molecular Weight":223.6,"Monoisotopic Mass":225.8757105,Charge:-6,"Easy Name":"Orthotellurate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-6O6Te1"},6857632:{PUBCHEM:{CID:"6857632","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrabromogold(1-)","IUPAC Name CAS-like Style":"Tetrabromogold(1-)","IUPAC Name Markup":"Tetrabromogold(1-)","IUPAC Name Preferred":"Tetrabromogold(1-)","IUPAC Name Systematic":"Tetrakis(bromanyl)gold(1-)","IUPAC Name Traditional":"Tetrabromogold(1-)",InChI:"1S/Au.4BrH/h;4*1H/q+3;;;;/p-4",InChIKey:"ISCGOTZIVSCDBJ-UHFFFAOYSA-J","Exact Mass":516.63582,"Molecular Formula":"AuBr4-","Molecular Weight":516.58,"Monoisotopic Mass":512.63992,Charge:-1,"Easy Name":"Tetrabromoaurate (1-)","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1Au1Br4"},6911855:{PUBCHEM:{CID:"6911855","Compound Complexity":1080,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":6,"Rotatable Bond":5,"IUPAC Name Allowed":"(3E)-3-[(2-arsonophenyl)hydrazono]-5-hydroxy-4-oxo-naphthalene-2,7-disulfonic acid","IUPAC Name CAS-like Style":"(3E)-3-[(2-arsonophenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonic acid","IUPAC Name Markup":"(3E)-3-[(2-arsonophenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonic acid","IUPAC Name Preferred":"(3E)-3-[(2-arsonophenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonic acid","IUPAC Name Systematic":"(3E)-3-[(2-arsonophenyl)hydrazinylidene]-5-oxidanyl-4-oxidanylidene-naphthalene-2,7-disulfonic acid","IUPAC Name Traditional":"(3E)-3-[(2-arsonophenyl)hydrazono]-5-hydroxy-4-keto-naphthalene-2,7-disulfonic acid",InChI:"1S/C16H13AsN2O11S2/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24/h1-7,18,20H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)/b19-15-",InChIKey:"OTAYPGXXYDXKDK-CYVLTUHYSA-N","Exact Mass":547.917671,"Molecular Formula":"C16H13AsN2O11S2","Molecular Weight":548.3,"Monoisotopic Mass":547.917671,Charge:0,"Easy Name":"Arsenazo I","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"As1C16H13N2O11S2"},6911856:{PUBCHEM:{CID:"6911856","Compound Complexity":1110,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(3E)-3-[(2,4-dinitrophenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid","IUPAC Name CAS-like Style":"(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid","IUPAC Name Markup":"(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid","IUPAC Name Preferred":"(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid","IUPAC Name Systematic":"(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid","IUPAC Name Traditional":"(3E)-3-[(2,4-dinitrophenyl)hydrazono]-4-keto-naphthalene-2,7-disulfonic acid",InChI:"1S/C16H10N4O11S2/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25/h1-7,17H,(H,26,27,28)(H,29,30,31)/b18-15-",InChIKey:"IHRSXGONVFFQQF-SDXDJHTJSA-N","Log P":1.6,"Exact Mass":497.9787495,"Molecular Formula":"C16H10N4O11S2","Molecular Weight":498.4,"Monoisotopic Mass":497.9787495,Charge:0,"Easy Name":"Nitrazine","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C16H10N4O11S2"},6914540:{PUBCHEM:{CID:"6914540","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Germanium","IUPAC Name CAS-like Style":"Germanium","IUPAC Name Markup":"Germanium","IUPAC Name Preferred":"Germanium","IUPAC Name Systematic":"Germanium","IUPAC Name Traditional":"Germanium",InChI:"1S/3Ge",InChIKey:"AHVNUGPIPKMDBB-UHFFFAOYSA-N","Exact Mass":215.767502,"Molecular Formula":"Ge3","Molecular Weight":217.9,"Monoisotopic Mass":221.7635333,Charge:0,"Easy Name":"Trigermane","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Ge3"},6915737:{PUBCHEM:{CID:"6915737","Compound Complexity":162,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R,4R,5S)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3R,4R,5S)-2-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m0/s1",InChIKey:"LKDRXBCSQODPBY-SLPGGIOYSA-N","Log P":-2.8,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-L-Tagatopyranose","Easy Category":"Ketohexoses"},HSDB:{},ReducedFormula:"C6H12O6"},6918220:{PUBCHEM:{CID:"6918220","Compound Complexity":142,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Acetic acid;ammonia;cyclohexanamine;dichloroplatinum","IUPAC Name CAS-like Style":"Acetic acid;ammonia;cyclohexanamine;dichloroplatinum","IUPAC Name Markup":"Acetic acid;azane;cyclohexanamine;dichloroplatinum","IUPAC Name Preferred":"Acetic acid;azane;cyclohexanamine;dichloroplatinum","IUPAC Name Systematic":"Azane;bis(chloranyl)platinum;cyclohexanamine;ethanoic acid","IUPAC Name Traditional":"Acetic acid;ammonia;cyclohexylamine;dichloroplatinum",InChI:"1S/C6H13N.2C2H4O2.2ClH.H3N.Pt/c7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h6H,1-5,7H2;2*1H3,(H,3,4);2*1H;1H3;/q;;;;;;+2/p-2",InChIKey:"TWEQNPPRXJRHHM-UHFFFAOYSA-L","Exact Mass":501.076107,"Molecular Formula":"C10H24Cl2N2O4Pt","Molecular Weight":502.3,"Monoisotopic Mass":501.076107,Charge:0,"Easy Name":"Satraplatin","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C10Cl2H24N2O4Pt1"},6950523:{PUBCHEM:{CID:"6950523","Compound Complexity":37.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-pentane-1,2-diol","IUPAC Name CAS-like Style":"(2S)-pentane-1,2-diol","IUPAC Name Markup":"(2S)-pentane-1,2-diol","IUPAC Name Preferred":"(2S)-pentane-1,2-diol","IUPAC Name Systematic":"(2S)-pentane-1,2-diol","IUPAC Name Traditional":"(2S)-pentane-1,2-diol",InChI:"1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m0/s1",InChIKey:"WCVRQHFDJLLWFE-YFKPBYRVSA-N","Log P":.2,"Exact Mass":104.08372963,"Molecular Formula":"C5H12O2","Molecular Weight":104.15,"Monoisotopic Mass":104.08372963,Charge:0,"Easy Name":" (2S)-1, 2-Pentanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O2"},6950524:{PUBCHEM:{CID:"6950524","Compound Complexity":37.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R)-pentane-1,2-diol","IUPAC Name CAS-like Style":"(2R)-pentane-1,2-diol","IUPAC Name Markup":"(2R)-pentane-1,2-diol","IUPAC Name Preferred":"(2R)-pentane-1,2-diol","IUPAC Name Systematic":"(2R)-pentane-1,2-diol","IUPAC Name Traditional":"(2R)-pentane-1,2-diol",InChI:"1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m1/s1",InChIKey:"WCVRQHFDJLLWFE-RXMQYKEDSA-N","Log P":.2,"Exact Mass":104.08372963,"Molecular Formula":"C5H12O2","Molecular Weight":104.15,"Monoisotopic Mass":104.08372963,Charge:0,"Easy Name":" (2R)-1, 2-Pentanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O2"},6971003:{PUBCHEM:{CID:"6971003","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4R,5R,6S)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3S,4R,5R,6S)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m0/s1",InChIKey:"WQZGKKKJIJFFOK-MDMQIMBFSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-L-glucopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},6971096:{PUBCHEM:{CID:"6971096","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R,4S,5R,6S)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3R,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3R,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3R,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3R,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3R,4S,5R,6S)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6-/m0/s1",InChIKey:"WQZGKKKJIJFFOK-XKTQNOIPSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-L-Altropyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},6992018:{PUBCHEM:{CID:"6992018","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4S,5R)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m1/s1",InChIKey:"HMFHBZSHGGEWLO-SQOUGZDYSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Β-D-Arabinofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},6992084:{PUBCHEM:{CID:"6992084","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4R,5R,6S)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4R,5R,6S)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m0/s1",InChIKey:"WQZGKKKJIJFFOK-QYESYBIKSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-L-glucopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},6992738:{PUBCHEM:{CID:"6992738","Compound Complexity":72.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R)-2-bromobutanoic acid","IUPAC Name CAS-like Style":"(2R)-2-bromobutanoic acid","IUPAC Name Markup":"(2R)-2-bromobutanoic acid","IUPAC Name Preferred":"(2R)-2-bromobutanoic acid","IUPAC Name Systematic":"(2R)-2-bromanylbutanoic acid","IUPAC Name Traditional":"(2R)-2-bromobutyric acid",InChI:"1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m1/s1",InChIKey:"YAQLSKVCTLCIIE-GSVOUGTGSA-N","Log P":1.4,"Exact Mass":165.96294,"Molecular Formula":"C4H7BrO2","Molecular Weight":167,"Monoisotopic Mass":165.96294,Charge:0,"Easy Name":" (2R)-2-bromobutanoic acid","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C4H7O2"},6993810:{PUBCHEM:{CID:"6993810","Compound Complexity":35.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"(2R)-hexan-2-ol","IUPAC Name CAS-like Style":"(2R)-2-hexanol","IUPAC Name Markup":"(2R)-hexan-2-ol","IUPAC Name Preferred":"(2R)-hexan-2-ol","IUPAC Name Systematic":"(2R)-hexan-2-ol","IUPAC Name Traditional":"(2R)-hexan-2-ol",InChI:"1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m1/s1",InChIKey:"QNVRIHYSUZMSGM-ZCFIWIBFSA-N","Log P":1.8,"Exact Mass":102.10446507,"Molecular Formula":"C6H14O","Molecular Weight":102.17,"Monoisotopic Mass":102.10446507,Charge:0,"Easy Name":" (2R)-2-Hexanol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C6H14O1"},6999784:{PUBCHEM:{CID:"6999784","Compound Complexity":32.9,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S)-3-methylbutan-2-ol","IUPAC Name CAS-like Style":"(2S)-3-methyl-2-butanol","IUPAC Name Markup":"(2S)-3-methylbutan-2-ol","IUPAC Name Preferred":"(2S)-3-methylbutan-2-ol","IUPAC Name Systematic":"(2S)-3-methylbutan-2-ol","IUPAC Name Traditional":"(2S)-3-methylbutan-2-ol",InChI:"1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m0/s1",InChIKey:"MXLMTQWGSQIYOW-YFKPBYRVSA-N","Log P":1.3,"Exact Mass":88.08881501,"Molecular Formula":"C5H12O","Molecular Weight":88.15,"Monoisotopic Mass":88.08881501,Charge:0,"Easy Name":" (2S)-3-methylbutan-2-ol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H12O1"},7018164:{PUBCHEM:{CID:"7018164","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3S,4R,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6-/m1/s1",InChIKey:"WQZGKKKJIJFFOK-FDROIEKHSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Idopyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},7019e3:{PUBCHEM:{CID:"7019000","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4S,5S)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4S,5S)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5+/m0/s1",InChIKey:"HMFHBZSHGGEWLO-SKNVOMKLSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-L-Xylofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},7044039:{PUBCHEM:{CID:"7044039","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"(2S,3S,4R,5R)-tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4R,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4R,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4R,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4R,5R)-oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4R,5R)-tetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m1/s1",InChIKey:"SRBFZHDQGSBBOR-MBMOQRBOSA-N","Log P":-2.5,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-D-Arabinopyranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},7045767:{PUBCHEM:{CID:"7045767","Compound Complexity":214,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"(3R)-3-acetoxy-4-(trimethylammonio)butanoate","IUPAC Name CAS-like Style":"(3R)-3-acetyloxy-4-(trimethylammonio)butanoate","IUPAC Name Markup":"(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate","IUPAC Name Preferred":"(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate","IUPAC Name Systematic":"(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate","IUPAC Name Traditional":"(3R)-3-acetoxy-4-(trimethylammonio)butyrate",InChI:"1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1",InChIKey:"RDHQFKQIGNGIED-MRVPVSSYSA-N","Log P":.4,"Exact Mass":203.11575803,"Molecular Formula":"C9H17NO4","Molecular Weight":203.24,"Monoisotopic Mass":203.11575803,Charge:0,"Easy Name":"L-Acetylcarnitine","Easy Category":"Ester"},HSDB:{Solubility:{Value:"In water, 1X10+6 mg/L at 25 °C (est)"},Uses:{Value:"... Used to aid in dementia."}},ReducedFormula:"C9H17N1O4"},7059433:{PUBCHEM:{CID:"7059433","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4R,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4R,5R)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4+,5-/m1/s1",InChIKey:"HMFHBZSHGGEWLO-MGCNEYSASA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Β-D-Lyxofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},7091266:{PUBCHEM:{CID:"7091266","Compound Complexity":266,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] phosphate","IUPAC Name CAS-like Style":"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] phosphate","IUPAC Name Markup":"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate","IUPAC Name Preferred":"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate","IUPAC Name Systematic":"[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] phosphate","IUPAC Name Traditional":"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] phosphate",InChI:"1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6-/m1/s1",InChIKey:"HXXFSFRBOHSIMQ-VFUOTHLCSA-L","Log P":-4,"Exact Mass":258.01406893,"Molecular Formula":"C6H11O9P-2","Molecular Weight":258.12,"Monoisotopic Mass":258.01406893,Charge:-2,"Easy Name":"Α-D-glucose 1-phosphate","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"-2C6H11O9P1"},7098663:{PUBCHEM:{CID:"7098663","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4R,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4R,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6+/m1/s1",InChIKey:"WQZGKKKJIJFFOK-TVIMKVIFSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Altropyranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},7098664:{PUBCHEM:{CID:"7098664","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3S,4R,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m1/s1",InChIKey:"WQZGKKKJIJFFOK-RDQKPOQOSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":" (2S, 3S, 4R, 5R, 6R)-6- (hydroxymethyl)oxane-2, 3, 4, 5-tetrol","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},7251177:{PUBCHEM:{CID:"7251177","Compound Complexity":268,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name CAS-like Style":"2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Markup":"2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Preferred":"2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Systematic":"2-[(1S,2R)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoic acid","IUPAC Name Traditional":"2-[(1S,2R)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid",InChI:"1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m0/s1",InChIKey:"ZNJFBWYDHIGLCU-RWCMCFKCSA-N","Log P":1.6,"Exact Mass":210.12559444,"Molecular Formula":"C12H18O3","Molecular Weight":210.27,"Monoisotopic Mass":210.12559444,Charge:0,"Easy Name":" (-)-7-iso-jasmonic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H18O3"},7251180:{PUBCHEM:{CID:"7251180","Compound Complexity":268,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name CAS-like Style":"2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Markup":"2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Preferred":"2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Systematic":"2-[(1S,2S)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoic acid","IUPAC Name Traditional":"2-[(1S,2S)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid",InChI:"1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m0/s1",InChIKey:"ZNJFBWYDHIGLCU-CMIOBCHKSA-N","Log P":1.6,"Exact Mass":210.12559444,"Molecular Formula":"C12H18O3","Molecular Weight":210.27,"Monoisotopic Mass":210.12559444,Charge:0,"Easy Name":" (+)-Jasmonic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H18O3"},7251183:{PUBCHEM:{CID:"7251183","Compound Complexity":268,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name CAS-like Style":"2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Markup":"2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Preferred":"2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid","IUPAC Name Systematic":"2-[(1R,2S)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoic acid","IUPAC Name Traditional":"2-[(1R,2S)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid",InChI:"1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m1/s1",InChIKey:"ZNJFBWYDHIGLCU-QKMQQOOLSA-N","Log P":1.6,"Exact Mass":210.12559444,"Molecular Formula":"C12H18O3","Molecular Weight":210.27,"Monoisotopic Mass":210.12559444,Charge:0,"Easy Name":" (+)-7-isojasmonic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C12H18O3"},7269316:{PUBCHEM:{CID:"7269316","Compound Complexity":245,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":15,"IUPAC Name Allowed":"(9S,10R)-9,10,16-trihydroxyhexadecanoic acid","IUPAC Name CAS-like Style":"(9S,10R)-9,10,16-trihydroxyhexadecanoic acid","IUPAC Name Markup":"(9S,10R)-9,10,16-trihydroxyhexadecanoic acid","IUPAC Name Preferred":"(9S,10R)-9,10,16-trihydroxyhexadecanoic acid","IUPAC Name Systematic":"(9S,10R)-9,10,16-tris(oxidanyl)hexadecanoic acid","IUPAC Name Traditional":"(9S,10R)-9,10,16-trihydroxypalmitic acid",InChI:"1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/m0/s1",InChIKey:"MEHUJCGAYMDLEL-LSDHHAIUSA-N","Log P":2.5,"Exact Mass":304.22497413,"Molecular Formula":"C16H32O5","Molecular Weight":304.42,"Monoisotopic Mass":304.22497413,Charge:0,"Easy Name":"Aleuritic acid","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C16H32O5"},9543250:{PUBCHEM:{CID:"9543250","Compound Complexity":93.6,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"N-carbamoylcarbamate","IUPAC Name CAS-like Style":"N-carbamoylcarbamate","IUPAC Name Markup":"N-carbamoylcarbamate","IUPAC Name Preferred":"N-carbamoylcarbamate","IUPAC Name Systematic":"N-aminocarbonylcarbamate","IUPAC Name Traditional":"N-carbamoylcarbamate",InChI:"1S/C2H4N2O3/c3-1(5)4-2(6)7/h(H,6,7)(H3,3,4,5)/p-1",InChIKey:"AVWRKZWQTYIKIY-UHFFFAOYSA-M","Log P":0,"Exact Mass":103.014366964,"Molecular Formula":"C2H3N2O3-","Molecular Weight":103.06,"Monoisotopic Mass":103.014366964,Charge:-1,"Easy Name":"Carbamoylcarbamate","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1C2H3N2O3"},9543668:{PUBCHEM:{CID:"9543668","Compound Complexity":285,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":20,"IUPAC Name Allowed":"Henicosanedioic acid","IUPAC Name CAS-like Style":"Heneicosanedioic acid","IUPAC Name Markup":"Henicosanedioic acid","IUPAC Name Preferred":"Henicosanedioic acid","IUPAC Name Systematic":"Henicosanedioic acid","IUPAC Name Traditional":"Japanic acid",InChI:"1S/C21H40O4/c22-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(24)25/h1-19H2,(H,22,23)(H,24,25)",InChIKey:"PWLXTFFHCFWCGG-UHFFFAOYSA-N","Log P":8.1,"Exact Mass":356.29265977,"Molecular Formula":"C21H40O4","Molecular Weight":356.5,"Monoisotopic Mass":356.29265977,Charge:0,"Easy Name":"Henicosanedioic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C21H40O4"},9548605:{PUBCHEM:{CID:"9548605","Compound Complexity":574,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":5,"Rotatable Bond":7,"IUPAC Name Allowed":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-2-phenyl-N-sulfooxy-ethanimidothioate","IUPAC Name CAS-like Style":"(1E)-2-phenyl-N-sulfooxyethanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester","IUPAC Name Markup":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-phenyl-N-sulfooxyethanimidothioate","IUPAC Name Preferred":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-phenyl-N-sulfooxyethanimidothioate","IUPAC Name Systematic":"[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-2-phenyl-N-sulfooxy-ethanimidothioate","IUPAC Name Traditional":"(1E)-2-phenyl-N-sulfoxy-thioacetimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester",InChI:"1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10+/t9-,11-,12+,13-,14+/m1/s1",InChIKey:"QQGLQYQXUKHWPX-BXLHIMNRSA-N","Log P":-.2,"Exact Mass":409.05012354,"Molecular Formula":"C14H19NO9S2","Molecular Weight":409.4,"Monoisotopic Mass":409.05012354,Charge:0,"Easy Name":"Glucotropaeolin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C14H19N1O9S2"},9548611:{PUBCHEM:{CID:"9548611","Compound Complexity":79.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"N-[(E)-ethylideneamino]-N-methyl-formamide","IUPAC Name CAS-like Style":"N-[(E)-ethylideneamino]-N-methylformamide","IUPAC Name Markup":"N-[(E)-ethylideneamino]-N-methylformamide","IUPAC Name Preferred":"N-[(E)-ethylideneamino]-N-methylformamide","IUPAC Name Systematic":"N-[(E)-ethylideneamino]-N-methyl-methanamide","IUPAC Name Traditional":"N-[(E)-ethylideneamino]-N-methyl-formamide",InChI:"1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+",InChIKey:"IMAGWKUTFZRWSB-HWKANZROSA-N","Log P":-.3,"Exact Mass":100.063662886,"Molecular Formula":"C4H8N2O","Molecular Weight":100.12,"Monoisotopic Mass":100.063662886,Charge:0,"Easy Name":"Gyromitrin","Easy Category":"Hydrazide"},HSDB:{"Boiling Point":{Value:"143 °C"},"Color And Form":{Value:"COLORLESS LIQ"},Density:{Value:"1.05 @ 20 °C"},"Melting Point":{Value:"19.5 °C (VACUUM)"},Solubility:{Value:"SOL IN ACETONE, BENZENE, CARBON TETRACHLORIDE, CHLOROFORM, DIETHYL ETHER, ETHANOL, ETHYL ACETATE, METHANOL, DICHLOROMETHANE AND WATER"}},ReducedFormula:"C4H8N2O1"},9548618:{PUBCHEM:{CID:"9548618","Compound Complexity":589,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":5,"Rotatable Bond":8,"IUPAC Name Allowed":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-3-phenyl-N-sulfooxy-propanimidothioate","IUPAC Name CAS-like Style":"(1E)-3-phenyl-N-sulfooxypropanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester","IUPAC Name Markup":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate","IUPAC Name Preferred":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate","IUPAC Name Systematic":"[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxy-propanimidothioate","IUPAC Name Traditional":"(1E)-3-phenyl-N-sulfoxy-thiopropionimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester",InChI:"1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11+/t10-,12-,13+,14-,15+/m1/s1",InChIKey:"CKIJIGYDFNXSET-MFIRQCQASA-N","Log P":.1,"Exact Mass":423.06577361,"Molecular Formula":"C15H21NO9S2","Molecular Weight":423.5,"Monoisotopic Mass":423.06577361,Charge:0,"Easy Name":"Gluconasturtiin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C15H21N1O9S2"},9548634:{PUBCHEM:{CID:"9548634","Compound Complexity":593,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":5,"Rotatable Bond":10,"IUPAC Name Allowed":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-5-methylsulfinyl-N-sulfooxy-pentanimidothioate","IUPAC Name CAS-like Style":"(1E)-5-methylsulfinyl-N-sulfooxypentanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester","IUPAC Name Markup":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate","IUPAC Name Preferred":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate","IUPAC Name Systematic":"[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxy-pentanimidothioate","IUPAC Name Traditional":"(1E)-5-methylsulfinyl-N-sulfoxy-thiovalerimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester",InChI:"1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1",InChIKey:"GMMLNKINDDUDCF-RFOBZYEESA-N","Log P":-2.1,"Exact Mass":437.04840947,"Molecular Formula":"C12H23NO10S3","Molecular Weight":437.5,"Monoisotopic Mass":437.04840947,Charge:0,"Easy Name":"Glucoraphanin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C12H23N1O10S3"},9548665:{PUBCHEM:{CID:"9548665","Compound Complexity":616,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"(5S,8R,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name CAS-like Style":"(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Markup":"(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Preferred":"(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Systematic":"(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Traditional":"(5S,8R,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene",InChI:"1S/C30H54/c1-21(2)11-9-12-22(3)23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7/h21-26H,9-20H2,1-8H3/t22-,23-,24+,25-,26+,28-,29-,30+/m1/s1",InChIKey:"ZQIOPEXWVBIZAV-ZKYCIREVSA-N","Log P":12.1,"Exact Mass":414.42255174,"Molecular Formula":"C30H54","Molecular Weight":414.7,"Monoisotopic Mass":414.42255174,Charge:0,"Easy Name":"5α-Lanostane","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H54"},9548714:{PUBCHEM:{CID:"9548714","Compound Complexity":616,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"(5S,8R,9R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name CAS-like Style":"(5S,8R,9R,10S,13R,14R,17R)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Markup":"(5S,8R,9R,10S,13R,14R,17R)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Preferred":"(5S,8R,9R,10S,13R,14R,17R)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Systematic":"(5S,8R,9R,10S,13R,14R,17R)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Traditional":"(5S,8R,9R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene",InChI:"1S/C30H54/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h21-26H,9-20H2,1-8H3/t22-,23-,24-,25+,26-,28+,29-,30-/m1/s1",InChIKey:"OORMXZNMRWBSTK-LGFJJATJSA-N","Log P":12.1,"Exact Mass":414.42255174,"Molecular Formula":"C30H54","Molecular Weight":414.7,"Monoisotopic Mass":414.42255174,Charge:0,"Easy Name":"Dammarane","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H54"},9548773:{PUBCHEM:{CID:"9548773","Compound Complexity":482,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol","IUPAC Name CAS-like Style":"(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol","IUPAC Name Markup":"(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol","IUPAC Name Preferred":"(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol","IUPAC Name Systematic":"(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol","IUPAC Name Traditional":"(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol",InChI:"1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1",InChIKey:"HJCSQOSWSRPBOU-XTXNWKRWSA-N","Log P":3.7,"Exact Mass":305.23547924,"Molecular Formula":"C19H31NO2","Molecular Weight":305.5,"Monoisotopic Mass":305.23547924,Charge:0,"Easy Name":"Samandarin","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C19H31N1O2"},9548778:{PUBCHEM:{CID:"9548778","Compound Complexity":365,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"2,3,12,13,22,24-hexahydroporphyrin","IUPAC Name CAS-like Style":"2,3,12,13,22,24-hexahydroporphyrin","IUPAC Name Markup":"2,3,12,13,22,24-hexahydroporphyrin","IUPAC Name Preferred":"2,3,12,13,22,24-hexahydroporphyrin","IUPAC Name Systematic":"2,3,12,13,22,24-hexahydroporphyrin","IUPAC Name Traditional":"2,3,12,13,22,24-hexahydroporphine",InChI:"1S/C20H18N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-2,7-12,21,24H,3-6H2",InChIKey:"BHPNXACHQYJJJS-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":314.1531466,"Molecular Formula":"C20H18N4","Molecular Weight":314.4,"Monoisotopic Mass":314.1531466,Charge:0,"Easy Name":"Bacteriochlorin","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"C20H18N4"},9551611:{PUBCHEM:{CID:"9551611","Compound Complexity":406,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"N'-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate","IUPAC Name CAS-like Style":"N-phenyl-N'-[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]carbamimidate","IUPAC Name Markup":"N-phenyl-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate","IUPAC Name Preferred":"N-phenyl-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate","IUPAC Name Systematic":"N-phenyl-N'-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate","IUPAC Name Traditional":"N'-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate",InChI:"1S/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)",InChIKey:"OWFUPROYPKGHMH-UHFFFAOYSA-N","Log P":4.9,"Exact Mass":322.14297584,"Molecular Formula":"C18H18N4O2","Molecular Weight":322.4,"Monoisotopic Mass":322.14297584,Charge:0,"Easy Name":"Mesocarb","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C18H18N4O2"},9562061:{PUBCHEM:{CID:"9562061","Compound Complexity":2030,"Hydrogen Bond Acceptor":20,"Hydrogen Bond Donor":4,"Rotatable Bond":5,"IUPAC Name Allowed":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthylidene)hydrazino]-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate","IUPAC Name CAS-like Style":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthalenylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Markup":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Preferred":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate","IUPAC Name Systematic":"Tetrasodium;(3Z)-5-azanyl-3-[[4-[4-[(2Z)-2-(8-azanyl-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene)hydrazinyl]-3-methyl-phenyl]-2-methyl-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate","IUPAC Name Traditional":"Tetrasodium;(3Z)-5-amino-3-[[4-[4-[(N'Z)-N'-(8-amino-1-keto-3,6-disulfonato-2-naphthylidene)hydrazino]-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate",InChI:"1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-31+,40-32+;;;;",InChIKey:"WMYVHJWZUUEZNE-ARWFNKCKSA-J","Exact Mass":959.9824113,"Molecular Formula":"C34H24N6Na4O14S4","Molecular Weight":960.8,"Monoisotopic Mass":959.9824113,Charge:0,"Easy Name":"Trypan blue","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C34H24N6Na4O14S4"},9566064:{PUBCHEM:{CID:"9566064","Compound Complexity":820,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Disodium;(8Z)-7-oxo-8-(phenylhydrazono)naphthalene-1,3-disulfonate","IUPAC Name CAS-like Style":"Disodium;(8Z)-7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate","IUPAC Name Markup":"Disodium;(8Z)-7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate","IUPAC Name Preferred":"Disodium;(8Z)-7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate","IUPAC Name Systematic":"Disodium;(8Z)-7-oxidanylidene-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate","IUPAC Name Traditional":"Disodium;(8Z)-7-keto-8-(phenylhydrazono)naphthalene-1,3-disulfonate",InChI:"1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,17H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-16+;;",InChIKey:"AEOVEGJBKQQFOP-DDVLFWKVSA-L","Exact Mass":451.97248158,"Molecular Formula":"C16H10N2Na2O7S2","Molecular Weight":452.4,"Monoisotopic Mass":451.97248158,Charge:0,"Easy Name":"Orange G","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C16H10N2Na2O7S2"},9568614:{PUBCHEM:{CID:"9568614","Compound Complexity":453,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole","IUPAC Name CAS-like Style":"6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole","IUPAC Name Markup":"6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole","IUPAC Name Preferred":"6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole","IUPAC Name Systematic":"6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole","IUPAC Name Traditional":"6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole",InChI:"1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1",InChIKey:"SUBDBMMJDZJVOS-DEOSSOPVSA-N","Log P":2.2,"Exact Mass":345.11471266,"Molecular Formula":"C17H19N3O3S","Molecular Weight":345.4,"Monoisotopic Mass":345.11471266,Charge:0,"Easy Name":"Esomeprazole","Easy Category":"Heterocyclic compound"},HSDB:{Solubility:{Value:"In water, 1.4X10+4 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"1.16X10-11 mm Hg at 25 °C (est)"}},ReducedFormula:"C17H19N3O3S1"},9570119:{PUBCHEM:{CID:"9570119","Compound Complexity":1190,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Trisodium;(8Z)-7-oxo-8-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1,3-disulfonate","IUPAC Name CAS-like Style":"Trisodium;(8Z)-7-oxo-8-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]naphthalene-1,3-disulfonate","IUPAC Name Markup":"Trisodium;(8Z)-7-oxo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3-disulfonate","IUPAC Name Preferred":"Trisodium;(8Z)-7-oxo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3-disulfonate","IUPAC Name Systematic":"Trisodium;(8Z)-7-oxidanylidene-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3-disulfonate","IUPAC Name Traditional":"Trisodium;(8Z)-7-keto-8-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1,3-disulfonate",InChI:"1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-20+;;;",InChIKey:"IVNZBWNBYXERPK-DZGBHZPSSA-K","Exact Mass":603.92689093,"Molecular Formula":"C20H11N2Na3O10S3","Molecular Weight":604.5,"Monoisotopic Mass":603.92689093,Charge:0,"Easy Name":"Ponceau 4R","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C20H11N2Na3O10S3"},9576416:{PUBCHEM:{CID:"9576416","Compound Complexity":733,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":5,"Rotatable Bond":8,"IUPAC Name Allowed":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxy-ethanimidothioate","IUPAC Name CAS-like Style":"(1Z)-2-(1-methoxy-3-indolyl)-N-sulfooxyethanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester","IUPAC Name Markup":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate","IUPAC Name Preferred":"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate","IUPAC Name Systematic":"[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxy-ethanimidothioate","IUPAC Name Traditional":"(1Z)-2-(1-methoxyindol-3-yl)-N-sulfoxy-thioacetimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester",InChI:"1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13-/t12-,14-,15+,16-,17+/m1/s1",InChIKey:"PKKMITFKYRCCOL-JMZFCNQTSA-N","Log P":.3,"Exact Mass":478.07158726,"Molecular Formula":"C17H22N2O10S2","Molecular Weight":478.5,"Monoisotopic Mass":478.07158726,Charge:0,"Easy Name":"Neoglucobrassicin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C17H22N2O10S2"},9577286:{PUBCHEM:{CID:"9577286","Compound Complexity":95.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;oxido(trioxo)(99Tc)technetium-99","IUPAC Name CAS-like Style":"Ammonium;oxido(trioxo)(99Tc)technetium-99","IUPAC Name Markup":"Azanium;oxido(trioxo)(99Tc)technetium-99","IUPAC Name Preferred":"Azanium;oxido(trioxo)(99Tc)technetium-99","IUPAC Name Systematic":"Azanium;oxidanidyl-tris(oxidanylidene)(99Tc)technetium-99","IUPAC Name Traditional":"Ammonium;triketo(oxido)(99Tc)technetium-99",InChI:"1S/H3N.4O.Tc/h1H3;;;;;/q;;;;-1;/p+1/i;;;;;1+1",InChIKey:"WJULHBIORCQBSY-PUQAOBSFSA-O","Exact Mass":180.920282,"Molecular Formula":"H4NO4Tc","Molecular Weight":180.943,"Monoisotopic Mass":180.920282,Charge:0,"Easy Name":"Ammonium pertechnetate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H4N1O4Tc1"},9577452:{PUBCHEM:{CID:"9577452","Compound Complexity":951,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Disodium;(8Z)-8-(1-naphthylhydrazono)-7-oxo-naphthalene-1,3-disulfonate","IUPAC Name CAS-like Style":"Disodium;(8Z)-8-(1-naphthalenylhydrazinylidene)-7-oxonaphthalene-1,3-disulfonate","IUPAC Name Markup":"Disodium;(8Z)-8-(naphthalen-1-ylhydrazinylidene)-7-oxonaphthalene-1,3-disulfonate","IUPAC Name Preferred":"Disodium;(8Z)-8-(naphthalen-1-ylhydrazinylidene)-7-oxonaphthalene-1,3-disulfonate","IUPAC Name Systematic":"Disodium;(8Z)-8-(naphthalen-1-ylhydrazinylidene)-7-oxidanylidene-naphthalene-1,3-disulfonate","IUPAC Name Traditional":"Disodium;(8Z)-7-keto-8-(1-naphthylhydrazono)naphthalene-1,3-disulfonate",InChI:"1S/C20H14N2O7S2.2Na/c23-17-9-8-13-10-14(30(24,25)26)11-18(31(27,28)29)19(13)20(17)22-21-16-7-3-5-12-4-1-2-6-15(12)16;;/h1-11,21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-20+;;",InChIKey:"TUAHFTHBSAWMRI-DSDYZSRDSA-L","Exact Mass":501.98813165,"Molecular Formula":"C20H12N2Na2O7S2","Molecular Weight":502.4,"Monoisotopic Mass":501.98813165,Charge:0,"Easy Name":"Ponceau 6R","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C20H12N2Na2O7S2"},9589403:{PUBCHEM:{CID:"9589403","Compound Complexity":952,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Disodium;(4Z)-4-[(4-nitrophenyl)hydrazono]-3-oxo-naphthalene-2,7-disulfonate","IUPAC Name CAS-like Style":"Disodium;(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate","IUPAC Name Markup":"Disodium;(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate","IUPAC Name Preferred":"Disodium;(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate","IUPAC Name Systematic":"Disodium;(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate","IUPAC Name Traditional":"Disodium;(4Z)-3-keto-4-[(4-nitrophenyl)hydrazono]naphthalene-2,7-disulfonate",InChI:"1S/C16H11N3O9S2.2Na/c20-16-14(30(26,27)28)8-9-7-12(29(23,24)25)5-6-13(9)15(16)18-17-10-1-3-11(4-2-10)19(21)22;;/h1-8,17H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b18-15-;;",InChIKey:"QMNPQXAVQXMXTD-GVLVODDDSA-L","Exact Mass":496.95755979,"Molecular Formula":"C16H9N3Na2O9S2","Molecular Weight":497.4,"Monoisotopic Mass":496.95755979,Charge:0,"Easy Name":"Β-Naphthol Violet","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C16H9N3Na2O9S2"},9793688:{PUBCHEM:{CID:"9793688","Compound Complexity":24.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;hydrogen carbonate","IUPAC Name CAS-like Style":"Lithium;hydrogen carbonate","IUPAC Name Markup":"Lithium;hydrogen carbonate","IUPAC Name Preferred":"Lithium;hydrogen carbonate","IUPAC Name Systematic":"Lithium;hydrogen carbonate","IUPAC Name Traditional":"Lithium;bicarbonate",InChI:"1S/CH2O3.Li/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",InChIKey:"HQRPHMAXFVUBJX-UHFFFAOYSA-M","Exact Mass":68.00857233,"Molecular Formula":"CHLiO3","Molecular Weight":68,"Monoisotopic Mass":68.00857233,Charge:0,"Easy Name":"Lithium bicarbonate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"C1H1Li1O3"},9793694:{PUBCHEM:{CID:"9793694","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Manganous;sulfide","IUPAC Name CAS-like Style":"Manganese(2+);sulfide","IUPAC Name Markup":"Manganese(2+);sulfide","IUPAC Name Preferred":"Manganese(2+);sulfide","IUPAC Name Systematic":"Manganese(2+);sulfide","IUPAC Name Traditional":"Manganous;sulfide",InChI:"1S/Mn.S/q+2;-2",InChIKey:"VCTOKJRTAUILIH-UHFFFAOYSA-N","Exact Mass":86.910114,"Molecular Formula":"MnS","Molecular Weight":87.01,"Monoisotopic Mass":86.910114,Charge:0,"Easy Name":"Manganese (II) sulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Mn1S1"},9793746:{PUBCHEM:{CID:"9793746","Compound Complexity":59,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;fluoro(hydroxy)phosphinate","IUPAC Name CAS-like Style":"Sodium;fluoro(hydroxy)phosphinate","IUPAC Name Markup":"Sodium;fluoro(hydroxy)phosphinate","IUPAC Name Preferred":"Sodium;fluoro(hydroxy)phosphinate","IUPAC Name Systematic":"Sodium;fluoranyl(oxidanyl)phosphinate","IUPAC Name Traditional":"Sodium;fluoro(hydroxy)phosphinate",InChI:"1S/FH2O3P.Na/c1-5(2,3)4;/h(H2,2,3,4);/q;+1/p-1",InChIKey:"NTJHYIRSENEXDR-UHFFFAOYSA-M","Exact Mass":121.95450333,"Molecular Formula":"FHNaO3P","Molecular Weight":121.968,"Monoisotopic Mass":121.95450333,Charge:0,"Easy Name":"Sodium hydrogen phosphorofluoridate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"F1H1Na1O3P1"},9793912:{PUBCHEM:{CID:"9793912","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;hexafluorophosphate","IUPAC Name CAS-like Style":"Ammonium;hexafluorophosphate","IUPAC Name Markup":"Azanium;hexafluorophosphate","IUPAC Name Preferred":"Azanium;hexafluorophosphate","IUPAC Name Systematic":"Azanium;hexafluorophosphate","IUPAC Name Traditional":"Ammonium;hexafluorophosphate",InChI:"1S/F6P.H3N/c1-7(2,3,4,5)6;/h;1H3/q-1;/p+1",InChIKey:"NIZXKAYXSNUDOU-UHFFFAOYSA-O","Exact Mass":162.99855511,"Molecular Formula":"F6H4NP","Molecular Weight":163.003,"Monoisotopic Mass":162.99855511,Charge:0,"Easy Name":"Ammonium hexafluorophosphate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F6H4N1P1"},9794487:{PUBCHEM:{CID:"9794487","Compound Complexity":194,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;sulfonato sulfate","IUPAC Name CAS-like Style":"Disodium;sulfonato sulfate","IUPAC Name Markup":"Disodium;sulfonato sulfate","IUPAC Name Preferred":"Disodium;sulfonato sulfate","IUPAC Name Systematic":"Disodium;sulfonato sulfate","IUPAC Name Traditional":"Disodium;sulfonato sulfate",InChI:"1S/2Na.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",InChIKey:"JXAZAUKOWVKTLO-UHFFFAOYSA-L","Exact Mass":221.88808325,"Molecular Formula":"Na2O7S2","Molecular Weight":222.11,"Monoisotopic Mass":221.88808325,Charge:0,"Easy Name":"Sodium pyrosulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2O7S2"},9794493:{PUBCHEM:{CID:"9794493","Compound Complexity":103,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Dipotassium;hexanedioate","IUPAC Name CAS-like Style":"Dipotassium;hexanedioate","IUPAC Name Markup":"Dipotassium;hexanedioate","IUPAC Name Preferred":"Dipotassium;hexanedioate","IUPAC Name Systematic":"Dipotassium;hexanedioate","IUPAC Name Traditional":"Dipotassium;adipate",InChI:"1S/C6H10O4.2K/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",InChIKey:"GCHCGDFZHOEXMP-UHFFFAOYSA-L","Exact Mass":221.96967171,"Molecular Formula":"C6H8K2O4","Molecular Weight":222.32,"Monoisotopic Mass":221.96967171,Charge:0,"Easy Name":"Potassium adipate","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C6H8K2O4"},9794626:{PUBCHEM:{CID:"9794626","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disilver;oxygen(2-)","IUPAC Name CAS-like Style":"Disilver;oxygen(2-)","IUPAC Name Markup":"Disilver;oxygen(2-)","IUPAC Name Preferred":"Disilver;oxygen(2-)","IUPAC Name Systematic":"Disilver;oxygen(2-)","IUPAC Name Traditional":"Disilver;oxygen(2-)",InChI:"1S/2Ag.O/q2*+1;-2",InChIKey:"NDVLTYZPCACLMA-UHFFFAOYSA-N","Exact Mass":231.80476,"Molecular Formula":"Ag2O","Molecular Weight":231.736,"Monoisotopic Mass":229.8051,Charge:0,"Easy Name":"Silver oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Ag2O1"},9796123:{PUBCHEM:{CID:"9796123","Compound Complexity":122,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisodium;dihydroxy-trioxido-oxo-lambda7-iodane","IUPAC Name CAS-like Style":"Trisodium;dihydroxy-trioxido-oxo-lambda7-iodane","IUPAC Name Markup":"Trisodium;dihydroxy-trioxido-oxo-λ7-iodane","IUPAC Name Preferred":"Trisodium;dihydroxy-trioxido-oxo-lambda7-iodane","IUPAC Name Systematic":"Trisodium;tris(oxidanidyl)-bis(oxidanyl)-oxidanylidene-lambda7-iodane","IUPAC Name Traditional":"Trisodium;dihydroxy-keto-trioxido-lambda7-iodane",InChI:"1S/H5IO6.3Na/c2-1(3,4,5,6)7;;;/h(H5,2,3,4,5,6,7);;;/q;3*+1/p-3",InChIKey:"DSYMXPNUZLZKOA-UHFFFAOYSA-K","Exact Mass":293.85892,"Molecular Formula":"H2INa3O6","Molecular Weight":293.89,"Monoisotopic Mass":293.85892,Charge:0,"Easy Name":"Trisodium paraperiodate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"H2I1Na3O6"},9798536:{PUBCHEM:{CID:"9798536","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);phosphate","IUPAC Name CAS-like Style":"Rubidium(1+);phosphate","IUPAC Name Markup":"Rubidium(1+);phosphate","IUPAC Name Preferred":"Rubidium(1+);phosphate","IUPAC Name Systematic":"Rubidium(1+);phosphate","IUPAC Name Traditional":"Rubidium(1+);phosphate",InChI:"1S/H3O4P.3Rb/c1-5(2,3)4;;;/h(H3,1,2,3,4);;;/q;3*+1/p-3",InChIKey:"KBAHJOGZLVQNBH-UHFFFAOYSA-K","Exact Mass":351.6861805,"Molecular Formula":"O4PRb3","Molecular Weight":351.37,"Monoisotopic Mass":349.6887897,Charge:0,"Easy Name":"Trirubidium phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O4P1Rb3"},9812759:{PUBCHEM:{CID:"9812759","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;dihydroxide","IUPAC Name CAS-like Style":"Zinc;dihydroxide","IUPAC Name Markup":"Zinc;dihydroxide","IUPAC Name Preferred":"Zinc;dihydroxide","IUPAC Name Systematic":"Zinc;dihydroxide","IUPAC Name Traditional":"Zinc;dihydroxide",InChI:"1S/2H2O.Zn/h2*1H2;/q;;+2/p-2",InChIKey:"UGZADUVQMDAIAO-UHFFFAOYSA-L","Exact Mass":97.934621,"Molecular Formula":"H2O2Zn","Molecular Weight":99.4,"Monoisotopic Mass":97.934621,Charge:0,"Easy Name":"Zinc hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2O2Zn1"},9812927:{PUBCHEM:{CID:"9812927","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Stannous;nitrate","IUPAC Name CAS-like Style":"Tin(2+);nitrate","IUPAC Name Markup":"Tin(2+);nitrate","IUPAC Name Preferred":"Tin(2+);nitrate","IUPAC Name Systematic":"Tin(2+);nitrate","IUPAC Name Traditional":"Stannous;nitrate",InChI:"1S/NO3.Sn/c2-1(3)4;/q-1;+2",InChIKey:"WTDRFPMKJPDTKC-UHFFFAOYSA-N","Exact Mass":181.89002,"Molecular Formula":"NO3Sn+","Molecular Weight":180.72,"Monoisotopic Mass":181.89002,Charge:1,"Easy Name":"Tin (II) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"+1N1O3Sn1"},9815330:{PUBCHEM:{CID:"9815330","Compound Complexity":121,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dilithium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane","IUPAC Name CAS-like Style":"Dilithium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane","IUPAC Name Markup":"Dilithium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane","IUPAC Name Preferred":"Dilithium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane","IUPAC Name Systematic":"Dilithium;3,7-bis(oxidanidyl)-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane","IUPAC Name Traditional":"Dilithium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane",InChI:"1S/B4O7.2Li/c5-1-7-3-9-2(6)10-4(8-1)11-3;;/q-2;2*+1",InChIKey:"XFOCQAMEVCAHGV-UHFFFAOYSA-N","Exact Mass":170.0336299,"Molecular Formula":"B4Li2O7","Molecular Weight":169.2,"Monoisotopic Mass":170.0336299,Charge:0,"Easy Name":"Lithium tetraborate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"B4Li2O7"},9815404:{PUBCHEM:{CID:"9815404","Compound Complexity":18.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;dinitrate","IUPAC Name CAS-like Style":"Iron(2+);dinitrate","IUPAC Name Markup":"Iron(2+);dinitrate","IUPAC Name Preferred":"Iron(2+);dinitrate","IUPAC Name Systematic":"Iron(2+);dinitrate","IUPAC Name Traditional":"Ferrous;dinitrate",InChI:"1S/Fe.2NO3/c;2*2-1(3)4/q+2;2*-1",InChIKey:"MVFCKEFYUDZOCX-UHFFFAOYSA-N","Exact Mass":179.910571,"Molecular Formula":"FeN2O6","Molecular Weight":179.86,"Monoisotopic Mass":179.910571,Charge:0,"Easy Name":"Iron (II) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1N2O6"},9818426:{PUBCHEM:{CID:"9818426","Compound Complexity":49.8,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":6,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;dihydrogen phosphate","IUPAC Name CAS-like Style":"Aluminum;dihydrogen phosphate","IUPAC Name Markup":"Aluminum;dihydrogen phosphate","IUPAC Name Preferred":"Aluminum;dihydrogen phosphate","IUPAC Name Systematic":"Aluminum;dihydrogen phosphate","IUPAC Name Traditional":"Aluminum;dihydrogen phosphate",InChI:"1S/Al.3H3O4P/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-3",InChIKey:"RGPUVZXXZFNFBF-UHFFFAOYSA-K","Exact Mass":317.88875,"Molecular Formula":"AlH6O12P3","Molecular Weight":317.94,"Monoisotopic Mass":317.88875,Charge:0,"Easy Name":"Aluminum dihydrogen phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Al1H6O12P3"},9819600:{PUBCHEM:{CID:"9819600","Compound Complexity":772,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,2R,5S,8S,9S,10R,11R,12S)-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid","IUPAC Name CAS-like Style":"(1R,2R,5S,8S,9S,10R,11R,12S)-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid","IUPAC Name Markup":"(1R,2R,5S,8S,9S,10R,11R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid","IUPAC Name Preferred":"(1R,2R,5S,8S,9S,10R,11R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid","IUPAC Name Systematic":"(1R,2R,5S,8S,9S,10R,11R,12S)-11-methyl-6-methylidene-5,12-bis(oxidanyl)-16-oxidanylidene-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid","IUPAC Name Traditional":"(1R,2R,5S,8S,9S,10R,11R,12S)-5,12-dihydroxy-16-keto-11-methyl-6-methylene-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid",InChI:"1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16+,17+,18+,19-/m1/s1",InChIKey:"IXORZMNAPKEEDV-SNTJWBGVSA-N","Log P":.2,"Exact Mass":346.14163843,"Molecular Formula":"C19H22O6","Molecular Weight":346.4,"Monoisotopic Mass":346.14163843,Charge:0,"Easy Name":"Gibberellic acid","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C19H22O6"},9820801:{PUBCHEM:{CID:"9820801","Compound Complexity":688,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"6-acetyl-2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxo-anthracene-1-carboxylic acid","IUPAC Name CAS-like Style":"6-acetyl-2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxo-1-anthracenecarboxylic acid","IUPAC Name Markup":"6-acetyl-2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxoanthracene-1-carboxylic acid","IUPAC Name Preferred":"6-acetyl-2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxoanthracene-1-carboxylic acid","IUPAC Name Systematic":"6-ethanoyl-4-methyl-2,5,7,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1-carboxylic acid","IUPAC Name Traditional":"6-acetyl-2,5,7,8-tetrahydroxy-9,10-diketo-4-methyl-anthracene-1-carboxylic acid",InChI:"1S/C18H12O9/c1-4-3-6(20)9(18(26)27)10-7(4)13(21)11-12(15(10)23)17(25)16(24)8(5(2)19)14(11)22/h3,20,22,24-25H,1-2H3,(H,26,27)",InChIKey:"HQTAGYBATSEXCF-UHFFFAOYSA-N","Log P":3.2,"Exact Mass":372.04813196,"Molecular Formula":"C18H12O9","Molecular Weight":372.3,"Monoisotopic Mass":372.04813196,Charge:0,"Easy Name":"6-acetyl-2, 5, 7, 8-tetrahydroxy-4-methyl-9, 10-dioxoanthracene-1-carboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C18H12O9"},9822593:{PUBCHEM:{CID:"9822593","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicobaltic;trisulfate","IUPAC Name CAS-like Style":"Cobalt(3+);trisulfate","IUPAC Name Markup":"Cobalt(3+);trisulfate","IUPAC Name Preferred":"Cobalt(3+);trisulfate","IUPAC Name Systematic":"Cobalt(3+);trisulfate","IUPAC Name Traditional":"Dicobaltic;trisulfate",InChI:"1S/2Co.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"OOMOMODKLPLOKW-UHFFFAOYSA-H","Exact Mass":405.721576,"Molecular Formula":"Co2O12S3","Molecular Weight":406.1,"Monoisotopic Mass":405.721576,Charge:0,"Easy Name":"Dicobalt tris (sulphate)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Co2O12S3"},9827043:{PUBCHEM:{CID:"9827043","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tricesium;phosphate","IUPAC Name CAS-like Style":"Tricesium;phosphate","IUPAC Name Markup":"Tricesium;phosphate","IUPAC Name Preferred":"Tricesium;phosphate","IUPAC Name Systematic":"Tricesium;phosphate","IUPAC Name Traditional":"Tricesium;phosphate",InChI:"1S/3Cs.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",InChIKey:"CPWJKGIJFGMVPL-UHFFFAOYSA-K","Exact Mass":493.6697764,"Molecular Formula":"Cs3O4P","Molecular Weight":493.688,"Monoisotopic Mass":493.6697764,Charge:0,"Easy Name":"Tricaesium phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs3O4P1"},9828112:{PUBCHEM:{CID:"9828112","Compound Complexity":95,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"(4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,4-diol","IUPAC Name CAS-like Style":"(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol","IUPAC Name Markup":"(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol","IUPAC Name Preferred":"(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol","IUPAC Name Systematic":"(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol","IUPAC Name Traditional":"(4S,5R)-5-methyloltetrahydrofuran-2,4-diol",InChI:"1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1",InChIKey:"PDWIQYODPROSQH-PYHARJCCSA-N","Log P":-1,"Exact Mass":134.0579088,"Molecular Formula":"C5H10O4","Molecular Weight":134.13,"Monoisotopic Mass":134.0579088,Charge:0,"Easy Name":"D- (-)-2-Deoxyribose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O4"},9828885:{PUBCHEM:{CID:"9828885","Compound Complexity":528,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;2,4,6,8-tetrabromo-7-oxo-phenoxazin-3-olate","IUPAC Name CAS-like Style":"Ammonium;2,4,6,8-tetrabromo-7-oxo-3-phenoxazinolate","IUPAC Name Markup":"Azanium;2,4,6,8-tetrabromo-7-oxophenoxazin-3-olate","IUPAC Name Preferred":"Azanium;2,4,6,8-tetrabromo-7-oxophenoxazin-3-olate","IUPAC Name Systematic":"Azanium;2,4,6,8-tetrakis(bromanyl)-7-oxidanylidene-phenoxazin-3-olate","IUPAC Name Traditional":"Ammonium;2,4,6,8-tetrabromo-7-keto-phenoxazin-3-olate",InChI:"1S/C12H3Br4NO3.H3N/c13-3-1-5-11(7(15)9(3)18)20-12-6(17-5)2-4(14)10(19)8(12)16;/h1-2,18H;1H3",InChIKey:"FSPQQBZXXZWDPJ-UHFFFAOYSA-N","Exact Mass":545.70709,"Molecular Formula":"C12H6Br4N2O3","Molecular Weight":545.8,"Monoisotopic Mass":541.71119,Charge:0,"Easy Name":"Lacmoid","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br4C12H6N2O3"},9829996:{PUBCHEM:{CID:"9829996","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(3+);trisulfate","IUPAC Name CAS-like Style":"Europium(3+);trisulfate","IUPAC Name Markup":"Europium(3+);trisulfate","IUPAC Name Preferred":"Europium(3+);trisulfate","IUPAC Name Systematic":"Europium(3+);trisulfate","IUPAC Name Traditional":"Europium(3+);trisulfate",InChI:"1S/2Eu.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"FBUHTUYBHREGEH-UHFFFAOYSA-H","Exact Mass":591.69628,"Molecular Formula":"Eu2O12S3","Molecular Weight":592.1,"Monoisotopic Mass":593.69766,Charge:0,"Easy Name":"Europium (III) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Eu2O12S3"},9833963:{PUBCHEM:{CID:"9833963","Compound Complexity":7.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);nitrite","IUPAC Name CAS-like Style":"Rubidium(1+);nitrite","IUPAC Name Markup":"Rubidium(1+);nitrite","IUPAC Name Preferred":"Rubidium(1+);nitrite","IUPAC Name Systematic":"Rubidium(1+);nitrite","IUPAC Name Traditional":"Rubidium(1+);nitrite",InChI:"1S/HNO2.Rb/c2-1-3;/h(H,2,3);/q;+1/p-1",InChIKey:"VPMVPQJJBGXJAI-UHFFFAOYSA-M","Exact Mass":130.90469298,"Molecular Formula":"NO2Rb","Molecular Weight":131.473,"Monoisotopic Mass":130.90469298,Charge:0,"Easy Name":"Rubidium nitrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"N1O2Rb1"},9838064:{PUBCHEM:{CID:"9838064","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Bismuth;trihydroxide","IUPAC Name CAS-like Style":"Bismuth;trihydroxide","IUPAC Name Markup":"Bismuth;trihydroxide","IUPAC Name Preferred":"Bismuth;trihydroxide","IUPAC Name Systematic":"Bismuth;trihydroxide","IUPAC Name Traditional":"Bismuth;trihydroxide",InChI:"1S/Bi.3H2O/h;3*1H2/q+3;;;/p-3",InChIKey:"TZSXPYWRDWEXHG-UHFFFAOYSA-K","Exact Mass":259.98862,"Molecular Formula":"BiH3O3","Molecular Weight":260.003,"Monoisotopic Mass":259.98862,Charge:0,"Easy Name":"Bismuth hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Bi1H3O3"},9845673:{PUBCHEM:{CID:"9845673","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iridium(3+);oxygen(2-)","IUPAC Name CAS-like Style":"Iridium(3+);oxygen(2-)","IUPAC Name Markup":"Iridium(3+);oxygen(2-)","IUPAC Name Preferred":"Iridium(3+);oxygen(2-)","IUPAC Name Systematic":"Iridium(3+);oxygen(2-)","IUPAC Name Traditional":"Iridium(3+);oxygen(2-)",InChI:"1S/2Ir.3O/q2*+3;3*-2",InChIKey:"LUXYLEKXHLMESQ-UHFFFAOYSA-N","Exact Mass":431.90826,"Molecular Formula":"Ir2O3","Molecular Weight":432.43,"Monoisotopic Mass":433.91059,Charge:0,"Easy Name":"Iridium (III) Oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Ir2O3"},9853654:{PUBCHEM:{CID:"9853654","Compound Complexity":1310,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":8,"Rotatable Bond":22,"IUPAC Name Allowed":"(3S)-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[3-(tert-butoxycarbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid","IUPAC Name CAS-like Style":"(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-oxobutanoic acid","IUPAC Name Markup":"(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid","IUPAC Name Preferred":"(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid","IUPAC Name Systematic":"(3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-butanoic acid","IUPAC Name Traditional":"(3S)-4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[3-(tert-butoxycarbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-keto-butyric acid",InChI:"1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1",InChIKey:"NEYNJQRKHLUJRU-DZUOILHNSA-N","Log P":1.5,"Exact Mass":767.33124736,"Molecular Formula":"C37H49N7O9S","Molecular Weight":767.9,"Monoisotopic Mass":767.33124736,Charge:0,"Easy Name":"Pentagastrin","Easy Category":"Pharmaceutical drug"},HSDB:{"Color And Form":{Value:"FINE, COLORLESS NEEDLE-SHAPED CRYSTALS FROM 2-ETHOXYETHANOL + WATER"},"Melting Point":{Value:"229-230 °C (DECOMP)"},Solubility:{Value:"SOL IN DIMETHYL FORMAMIDE & DIMETHYL SULFOXIDE; INSOL IN WATER, ETHANOL, ETHER, BENZENE"},Uses:{Value:"MEDICATION"}},ReducedFormula:"C37H49N7O9S1"},9855836:{PUBCHEM:{CID:"9855836","Compound Complexity":123,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"Potassium;sodium;2,3-dihydroxybutanedioate","IUPAC Name CAS-like Style":"Potassium;sodium;2,3-dihydroxybutanedioate","IUPAC Name Markup":"Potassium;sodium;2,3-dihydroxybutanedioate","IUPAC Name Preferred":"Potassium;sodium;2,3-dihydroxybutanedioate","IUPAC Name Systematic":"Potassium;sodium;2,3-bis(oxidanyl)butanedioate","IUPAC Name Traditional":"Potassium;sodium;tartrate",InChI:"1S/C4H6O6.K.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",InChIKey:"LJCNRYVRMXRIQR-UHFFFAOYSA-L","Exact Mass":209.95426362,"Molecular Formula":"C4H4KNaO6","Molecular Weight":210.16,"Monoisotopic Mass":209.95426362,Charge:0,"Easy Name":"Potassium sodium tartrate","Easy Category":"Organic salt"},HSDB:{"Boiling Point":{Value:"200 °C"},"Color And Form":{Value:"COLORLESS CRYSTALS"},Density:{Value:"Density: 1.77 (Air=1)"},"Melting Point":{Value:"90-100 °C"},Solubility:{Value:"VERY SOLUBLE IN HOT WATER"},Taste:{Value:"Cool, saline taste"},Uses:{Value:"SEQUESTRANT & GENERAL PURPOSE FOOD ADDITIVE."}},ReducedFormula:"C4H4K1Na1O6"},9859412:{PUBCHEM:{CID:"9859412","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Platinum(2+);dihydroxide","IUPAC Name CAS-like Style":"Platinum(2+);dihydroxide","IUPAC Name Markup":"Platinum(2+);dihydroxide","IUPAC Name Preferred":"Platinum(2+);dihydroxide","IUPAC Name Systematic":"Platinum(2+);dihydroxide","IUPAC Name Traditional":"Platinum(2+);dihydroxide",InChI:"1S/2H2O.Pt/h2*1H2;/q;;+2/p-2",InChIKey:"NFOHLBHARAZXFQ-UHFFFAOYSA-L","Exact Mass":228.970274,"Molecular Formula":"H2O2Pt","Molecular Weight":229.1,"Monoisotopic Mass":228.970274,Charge:0,"Easy Name":"Platinum (II) Hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2O2Pt1"},9859601:{PUBCHEM:{CID:"9859601","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Plumbous;dihydroxide","IUPAC Name CAS-like Style":"Lead(2+);dihydroxide","IUPAC Name Markup":"Lead(2+);dihydroxide","IUPAC Name Preferred":"Lead(2+);dihydroxide","IUPAC Name Systematic":"Lead(2+);dihydroxide","IUPAC Name Traditional":"Plumbous;dihydroxide",InChI:"1S/2H2O.Pb/h2*1H2;/q;;+2/p-2",InChIKey:"VNZYIVBHUDKWEO-UHFFFAOYSA-L","Exact Mass":241.98213,"Molecular Formula":"H2O2Pb","Molecular Weight":241,"Monoisotopic Mass":241.98213,Charge:0,"Easy Name":"Lead (II) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2O2Pb1"},9861187:{PUBCHEM:{CID:"9861187","Compound Complexity":196,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":15,"IUPAC Name Allowed":"Ammonium;octadecanoate","IUPAC Name CAS-like Style":"Ammonium;octadecanoate","IUPAC Name Markup":"Azanium;octadecanoate","IUPAC Name Preferred":"Azanium;octadecanoate","IUPAC Name Systematic":"Azanium;octadecanoate","IUPAC Name Traditional":"Ammonium;stearate",InChI:"1S/C18H36O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H3",InChIKey:"JPNZKPRONVOMLL-UHFFFAOYSA-N","Exact Mass":301.2980795,"Molecular Formula":"C18H39NO2","Molecular Weight":301.5,"Monoisotopic Mass":301.2980795,Charge:0,"Easy Name":"Ammonium stearate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C18H39N1O2"},9861977:{PUBCHEM:{CID:"9861977","Compound Complexity":53.5,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;2-hydroxypropanoate","IUPAC Name CAS-like Style":"2-hydroxypropanoate;iron(3+)","IUPAC Name Markup":"2-hydroxypropanoate;iron(3+)","IUPAC Name Preferred":"2-hydroxypropanoate;iron(3+)","IUPAC Name Systematic":"Iron(3+);2-oxidanylpropanoate","IUPAC Name Traditional":"Ferric;lactate",InChI:"1S/3C3H6O3.Fe/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3",InChIKey:"YNVZDODIHZTHOZ-UHFFFAOYSA-K","Exact Mass":323.006543,"Molecular Formula":"C9H15FeO9","Molecular Weight":323.05,"Monoisotopic Mass":323.006543,Charge:0,"Easy Name":"Iron (III) lactate","Easy Category":"Organic salt"},HSDB:{Uses:{Value:"Food coloring; hematinic"}},ReducedFormula:"C9Fe1H15O9"},9862076:{PUBCHEM:{CID:"9862076","Compound Complexity":516,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"4-chloro-2-cyano-N,N-dimethyl-5-(p-tolyl)imidazole-1-sulfonamide","IUPAC Name CAS-like Style":"4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1-imidazolesulfonamide","IUPAC Name Markup":"4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide","IUPAC Name Preferred":"4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide","IUPAC Name Systematic":"4-chloranyl-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide","IUPAC Name Traditional":"4-chloro-2-cyano-N,N-dimethyl-5-(p-tolyl)imidazole-1-sulfonamide",InChI:"1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3",InChIKey:"YXKMMRDKEKCERS-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":324.0447745,"Molecular Formula":"C13H13ClN4O2S","Molecular Weight":324.79,"Monoisotopic Mass":324.0447745,Charge:0,"Easy Name":"Cyazofamid","Easy Category":"Fungicide"},HSDB:{"Color And Form":{Value:"Ivory powder"},Density:{Value:"1.446 at 20 °C"},"Melting Point":{Value:"152.7 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH = 4.9 at 25 °C"},Solubility:{Value:"Solvent solubility (all in g/100 mL, 21.2 °C): hexane, 0.003; methanol, 0.174, acetonitrile, 3.095, dichloroethane, 10.212; toluene, 0.600, ethyl acetate, 1.649; acetone, 4.564, octanol, 0.004"},Uses:{Value:"For cyazofamid (USEPA/OPP Pesticide Code: 085651) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.3X10-2 mPa /9.75X10-8 mm Hg/ at 35 °C"}},ReducedFormula:"C13Cl1H13N4O2S1"},9863567:{PUBCHEM:{CID:"9863567","Compound Complexity":36.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triferrous;diphosphate","IUPAC Name CAS-like Style":"Iron(2+);diphosphate","IUPAC Name Markup":"Iron(2+);diphosphate","IUPAC Name Preferred":"Iron(2+);diphosphate","IUPAC Name Systematic":"Iron(2+);diphosphate","IUPAC Name Traditional":"Triferrous;diphosphate",InChI:"1S/3Fe.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",InChIKey:"SDEKDNPYZOERBP-UHFFFAOYSA-H","Exact Mass":357.711648,"Molecular Formula":"Fe3O8P2","Molecular Weight":357.48,"Monoisotopic Mass":357.711648,Charge:0,"Easy Name":"Iron (II) phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe3O8P2"},9875677:{PUBCHEM:{CID:"9875677","Compound Complexity":1220,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":3,"Rotatable Bond":9,"IUPAC Name Allowed":"Disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]benzenesulfonate","IUPAC Name CAS-like Style":"Disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]benzenesulfonate","IUPAC Name Markup":"Disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]benzenesulfonate","IUPAC Name Preferred":"Disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]benzenesulfonate","IUPAC Name Systematic":"Disodium;4-[[4-[bis[4-[(4-sulfonatophenyl)amino]phenyl]methyl]phenyl]amino]benzenesulfonate","IUPAC Name Traditional":"Disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]besylate",InChI:"1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-40H,(H2-,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2",InChIKey:"CLNCBBVMOQOIPF-UHFFFAOYSA-L","Exact Mass":799.07048155,"Molecular Formula":"C37H27N3Na2O9S3","Molecular Weight":799.8,"Monoisotopic Mass":799.07048155,Charge:0,"Easy Name":"Methyl blue","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C37H27N3Na2O9S3"},9877404:{PUBCHEM:{CID:"9877404","Compound Complexity":24.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydrogen carbonate;rubidium(1+)","IUPAC Name CAS-like Style":"Hydrogen carbonate;rubidium(1+)","IUPAC Name Markup":"Hydrogen carbonate;rubidium(1+)","IUPAC Name Preferred":"Hydrogen carbonate;rubidium(1+)","IUPAC Name Systematic":"Hydrogen carbonate;rubidium(1+)","IUPAC Name Traditional":"Rubidium(1+);bicarbonate",InChI:"1S/CH2O3.Rb/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",InChIKey:"KEDRKJFXBSLXSI-UHFFFAOYSA-M","Exact Mass":145.90435863,"Molecular Formula":"CHO3Rb","Molecular Weight":146.485,"Monoisotopic Mass":145.90435863,Charge:0,"Easy Name":"Hydrogen carbonate;rubidium (1+)","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"C1H1O3Rb1"},9877537:{PUBCHEM:{CID:"9877537","Compound Complexity":53,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trisodium;thiophosphate","IUPAC Name CAS-like Style":"Trisodium;thiophosphate","IUPAC Name Markup":"Trisodium;thiophosphate","IUPAC Name Preferred":"Trisodium;thiophosphate","IUPAC Name Systematic":"Trisodium;thiophosphate","IUPAC Name Traditional":"Trisodium;thiophosphate",InChI:"1S/3Na.H3O3PS/c;;;1-4(2,3)5/h;;;(H3,1,2,3,5)/q3*+1;/p-3",InChIKey:"RIFYBBXGYKFBFC-UHFFFAOYSA-K","Exact Mass":179.89988488,"Molecular Formula":"Na3O3PS","Molecular Weight":180.01,"Monoisotopic Mass":179.89988488,Charge:0,"Easy Name":"Sodium monothiophosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na3O3P1S1"},9881356:{PUBCHEM:{CID:"9881356","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Hafnium(4+);tetrahydroxide","IUPAC Name CAS-like Style":"Hafnium(4+);tetrahydroxide","IUPAC Name Markup":"Hafnium(4+);tetrahydroxide","IUPAC Name Preferred":"Hafnium(4+);tetrahydroxide","IUPAC Name Systematic":"Hafnium(4+);tetrahydroxide","IUPAC Name Traditional":"Hafnium(4+);tetrahydroxide",InChI:"1S/Hf.4H2O/h;4*1H2/q+4;;;;/p-4",InChIKey:"OAKMTVGBLXXWPZ-UHFFFAOYSA-J","Exact Mass":247.95752,"Molecular Formula":"H4HfO4","Molecular Weight":246.5,"Monoisotopic Mass":247.95752,Charge:0,"Easy Name":"Hafnium hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H4Hf1O4"},9882981:{PUBCHEM:{CID:"9882981","Compound Complexity":380,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":6,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol","IUPAC Name CAS-like Style":"(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","IUPAC Name Markup":"(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Preferred":"(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Systematic":"(2S,3R)-2-[3,4,5-tris(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol","IUPAC Name Traditional":"(2S,3R)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol",InChI:"1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1",InChIKey:"XMOCLSLCDHWDHP-DOMZBBRYSA-N","Log P":0,"Exact Mass":306.07395279,"Molecular Formula":"C15H14O7","Molecular Weight":306.27,"Monoisotopic Mass":306.07395279,Charge:0,"Easy Name":" (-)-Gallocatechin","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H14O7"},9898802:{PUBCHEM:{CID:"9898802","Compound Complexity":85.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Hex-5-ynal","IUPAC Name CAS-like Style":"5-hexynal","IUPAC Name Markup":"Hex-5-ynal","IUPAC Name Preferred":"Hex-5-ynal","IUPAC Name Systematic":"Hex-5-ynal","IUPAC Name Traditional":"Hex-5-ynal",InChI:"1S/C6H8O/c1-2-3-4-5-6-7/h1,6H,3-5H2",InChIKey:"JIBLCOIURXDOGU-UHFFFAOYSA-N","Log P":.6,"Exact Mass":96.057514878,"Molecular Formula":"C6H8O","Molecular Weight":96.13,"Monoisotopic Mass":96.057514878,Charge:0,"Easy Name":"5-hexynal","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C6H8O1"},9898838:{PUBCHEM:{CID:"9898838","Compound Complexity":2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;hypobromite","IUPAC Name CAS-like Style":"Potassium;hypobromite","IUPAC Name Markup":"Potassium;hypobromite","IUPAC Name Preferred":"Potassium;hypobromite","IUPAC Name Systematic":"Potassium;hypobromite","IUPAC Name Traditional":"Potassium;hypobromite",InChI:"1S/BrO.K/c1-2;/q-1;+1",InChIKey:"ORQYPOUSZINNCB-UHFFFAOYSA-N","Exact Mass":133.87696,"Molecular Formula":"BrKO","Molecular Weight":135,"Monoisotopic Mass":133.87696,Charge:0,"Easy Name":"Potassium hypobromite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1K1O1"},9917490:{PUBCHEM:{CID:"9917490","Compound Complexity":990,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride","IUPAC Name CAS-like Style":"(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride","IUPAC Name Markup":"(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride","IUPAC Name Preferred":"(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride","IUPAC Name Systematic":"(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride","IUPAC Name Traditional":"(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride",InChI:"1S/C37H40N2O6.ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);1H/t28-,29+;/m0./s1",InChIKey:"MHXYWXHKLBMJKL-QBYKQQEBSA-N","Exact Mass":644.2653147,"Molecular Formula":"C37H41ClN2O6","Molecular Weight":645.2,"Monoisotopic Mass":644.2653147,Charge:0,"Easy Name":"Tubocurarine chloride","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C37Cl1H41N2O6"},9917980:{PUBCHEM:{CID:"9917980","Compound Complexity":861,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":10,"Rotatable Bond":15,"IUPAC Name Allowed":"(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxy-phenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Markup":"(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R)-3-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4-(3-methoxy-4-oxidanyl-phenyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]butoxy]oxane-3,4,5-triol","IUPAC Name Traditional":"(2R,3R,4S,5S,6R)-2-[(2R,3R)-4-(4-hydroxy-3-methoxy-phenyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-2-vanillyl-butoxy]-6-methylol-tetrahydropyran-3,4,5-triol",InChI:"1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1",InChIKey:"SBVBJPHMDABKJV-PGCJWIIOSA-N","Log P":-.7,"Exact Mass":686.2785854,"Molecular Formula":"C32H46O16","Molecular Weight":686.7,"Monoisotopic Mass":686.2785854,Charge:0,"Easy Name":"Secoisolariciresinol diglucoside","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C32H46O16"},9920401:{PUBCHEM:{CID:"9920401","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Calcium;fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Calcium;fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Calcium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Calcium;fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Calcium;fluoro-keto-dioxido-phosphorane",InChI:"1S/Ca.FH2O3P/c;1-5(2,3)4/h;(H2,2,3,4)/q+2;/p-2",InChIKey:"GFIKIVSYJDVOOZ-UHFFFAOYSA-L","Exact Mass":137.9194999,"Molecular Formula":"CaFO3P","Molecular Weight":138.05,"Monoisotopic Mass":137.9194999,Charge:0,"Easy Name":"Calcium phosphorofluoridate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1F1O3P1"},9920533:{PUBCHEM:{CID:"9920533","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4R,5R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1",InChIKey:"AVVWPBAENSWJCB-DVKNGEFBSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Mannofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},9920747:{PUBCHEM:{CID:"9920747","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rhodium(3+);trichloride","IUPAC Name CAS-like Style":"Rhodium(3+);trichloride","IUPAC Name Markup":"Rhodium(3+);trichloride","IUPAC Name Preferred":"Rhodium(3+);trichloride","IUPAC Name Systematic":"Rhodium(3+);trichloride","IUPAC Name Traditional":"Rhodium(3+);trichloride",InChI:"1S/3ClH.Rh/h3*1H;/q;;;+3/p-3",InChIKey:"SONJTKJMTWTJCT-UHFFFAOYSA-K","Exact Mass":207.81205,"Molecular Formula":"Cl3Rh","Molecular Weight":209.26,"Monoisotopic Mass":207.81205,Charge:0,"Easy Name":"Rhodium (III) chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl3Rh1"},9926336:{PUBCHEM:{CID:"9926336","Compound Complexity":462,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one","IUPAC Name CAS-like Style":"3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-1-benzopyran-4-one","IUPAC Name Markup":"3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one","IUPAC Name Preferred":"3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one","IUPAC Name Systematic":"3-[3,4-bis(oxidanyl)phenyl]-7-methoxy-5-oxidanyl-chromen-4-one","IUPAC Name Traditional":"3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromone",InChI:"1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-10(16(15)20)8-2-3-11(17)12(18)4-8/h2-7,17-19H,1H3",InChIKey:"OEYQBKYISMRWQB-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":300.0633881,"Molecular Formula":"C16H12O6","Molecular Weight":300.26,"Monoisotopic Mass":300.0633881,Charge:0,"Easy Name":"Santal","Easy Category":"Isoflavones"},HSDB:{},ReducedFormula:"C16H12O6"},9929799:{PUBCHEM:{CID:"9929799","Compound Complexity":706,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"Methyl 2-(3-amino-6-imino-xanthen-9-yl)benzoate;hydrochloride","IUPAC Name CAS-like Style":"2-(3-amino-6-imino-9-xanthenyl)benzoic acid methyl ester;hydrochloride","IUPAC Name Markup":"Methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate;hydrochloride","IUPAC Name Preferred":"Methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate;hydrochloride","IUPAC Name Systematic":"Methyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)benzoate;hydrochloride","IUPAC Name Traditional":"2-(3-amino-6-imino-xanthen-9-yl)benzoic acid methyl ester;hydrochloride",InChI:"1S/C21H16N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H",InChIKey:"MYFATKRONKHHQL-UHFFFAOYSA-N","Exact Mass":380.0927701,"Molecular Formula":"C21H17ClN2O3","Molecular Weight":380.8,"Monoisotopic Mass":380.0927701,Charge:0,"Easy Name":"Rhodamine 123","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C21Cl1H17N2O3"},9930723:{PUBCHEM:{CID:"9930723","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dimanganic;trisulfate","IUPAC Name CAS-like Style":"Manganese(3+);trisulfate","IUPAC Name Markup":"Manganese(3+);trisulfate","IUPAC Name Preferred":"Manganese(3+);trisulfate","IUPAC Name Systematic":"Manganese(3+);trisulfate","IUPAC Name Traditional":"Dimanganic;trisulfate",InChI:"1S/2Mn.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"PAVJEQIFHXNOSM-UHFFFAOYSA-H","Exact Mass":397.731275,"Molecular Formula":"Mn2O12S3","Molecular Weight":398.1,"Monoisotopic Mass":397.731275,Charge:0,"Easy Name":"Manganese (III) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Mn2O12S3"},9932493:{PUBCHEM:{CID:"9932493","Compound Complexity":194,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disilver;oxido-(oxido(dioxo)chromio)oxy-dioxo-chromium","IUPAC Name CAS-like Style":"Disilver;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Markup":"Disilver;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Preferred":"Disilver;oxido-(oxido(dioxo)chromio)oxy-dioxochromium","IUPAC Name Systematic":"Disilver;oxidanidyl-(oxidanidyl-bis(oxidanylidene)chromio)oxy-bis(oxidanylidene)chromium","IUPAC Name Traditional":"Disilver;(diketo(oxido)chromio)oxy-diketo-oxido-chromium",InChI:"1S/2Ag.2Cr.7O/q2*+1;;;;;;;;2*-1",InChIKey:"FCSCTLGIPUOGOC-UHFFFAOYSA-N","Exact Mass":431.65526,"Molecular Formula":"Ag2Cr2O7","Molecular Weight":431.72,"Monoisotopic Mass":429.6556,Charge:0,"Easy Name":"Silver dichromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag2Cr2O7"},9942167:{PUBCHEM:{CID:"9942167","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Palladium(2+);dihydroxide","IUPAC Name CAS-like Style":"Palladium(2+);dihydroxide","IUPAC Name Markup":"Palladium(2+);dihydroxide","IUPAC Name Preferred":"Palladium(2+);dihydroxide","IUPAC Name Systematic":"Palladium(2+);dihydroxide","IUPAC Name Traditional":"Palladium(2+);dihydroxide",InChI:"1S/2H2O.Pd/h2*1H2;/q;;+2/p-2",InChIKey:"NXJCBFBQEVOTOW-UHFFFAOYSA-L","Exact Mass":139.90896,"Molecular Formula":"H2O2Pd","Molecular Weight":140.4,"Monoisotopic Mass":139.90896,Charge:0,"Easy Name":"Palladium hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2O2Pd1"},9977044:{PUBCHEM:{CID:"9977044","Compound Complexity":331,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"2-(4-bromo-2,5-dimethoxy-phenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name CAS-like Style":"2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Markup":"2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Preferred":"2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Systematic":"2-(4-bromanyl-2,5-dimethoxy-phenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Traditional":"2-(4-bromo-2,5-dimethoxy-phenyl)ethyl-o-anisyl-amine",InChI:"1S/C18H22BrNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3",InChIKey:"SUXGNJVVBGJEFB-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":379.07831,"Molecular Formula":"C18H22BrNO3","Molecular Weight":380.3,"Monoisotopic Mass":379.07831,Charge:0,"Easy Name":"25B-NBOMe","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C18H22N1O3"},9989226:{PUBCHEM:{CID:"9989226","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dialuminum;oxygen(2-)","IUPAC Name CAS-like Style":"Dialuminum;oxygen(2-)","IUPAC Name Markup":"Dialuminum;oxygen(2-)","IUPAC Name Preferred":"Dialuminum;oxygen(2-)","IUPAC Name Systematic":"Dialuminum;oxygen(2-)","IUPAC Name Traditional":"Dialuminum;oxygen(2-)",InChI:"1S/2Al.3O/q2*+3;3*-2",InChIKey:"PNEYBMLMFCGWSK-UHFFFAOYSA-N","Exact Mass":101.947821,"Molecular Formula":"Al2O3","Molecular Weight":101.961,"Monoisotopic Mass":101.947821,Charge:0,"Easy Name":"Aluminium oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"2977 °C"},"Color And Form":{Value:"White crystalline powder"},Density:{Value:"Density: 3.4-4.0"},"Melting Point":{Value:"2030 °C"},"NFPA Hazard Classification":{Value:"0-0-1"},Odor:{Value:"Odorless"},"Refractive Index":{Value:"Index of refraction: 1.768, 1.760"},Solubility:{Value:"Difficult solubility in mineral acids and strong alkali"},Uses:{Value:"Production of aluminum, manufacture of abrasives, refractories, ceramics, electrical insulators, catalyst and catalyst supports, paper, spark plugs, crucibles and laboratory wares, adsorbent for gases and water vapors, chromatographic analysis, fluxes, light bulbs, artificial gems, heat resistant fibers, food additive (dispersing agent)."},"Vapor Pressure":{Value:"1 mm Hg at 2158 °C"}},ReducedFormula:"Al2O3"},9991554:{PUBCHEM:{CID:"9991554","Compound Complexity":230,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"3-[2-(diethylamino)ethyl]-1H-indol-4-ol","IUPAC Name CAS-like Style":"3-[2-(diethylamino)ethyl]-1H-indol-4-ol","IUPAC Name Markup":"3-[2-(diethylamino)ethyl]-1H-indol-4-ol","IUPAC Name Preferred":"3-[2-(diethylamino)ethyl]-1H-indol-4-ol","IUPAC Name Systematic":"3-[2-(diethylamino)ethyl]-1H-indol-4-ol","IUPAC Name Traditional":"3-[2-(diethylamino)ethyl]-1H-indol-4-ol",InChI:"1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3",InChIKey:"OHHYMKDBKJPILO-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":232.15756327,"Molecular Formula":"C14H20N2O","Molecular Weight":232.32,"Monoisotopic Mass":232.15756327,Charge:0,"Easy Name":"4-HO-DET","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C14H20N2O1"},9996708:{PUBCHEM:{CID:"9996708","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4S,5R)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m1/s1",InChIKey:"HMFHBZSHGGEWLO-MBMOQRBOSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-D-Arabinofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},10001761:{PUBCHEM:{CID:"10001761","Compound Complexity":318,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":7,"IUPAC Name Allowed":"2-[[2-(4-iodo-2,5-dimethoxy-phenyl)ethylamino]methyl]phenol","IUPAC Name CAS-like Style":"2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol","IUPAC Name Markup":"2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol","IUPAC Name Preferred":"2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol","IUPAC Name Systematic":"2-[[2-(4-iodanyl-2,5-dimethoxy-phenyl)ethylamino]methyl]phenol","IUPAC Name Traditional":"2-[[2-(4-iodo-2,5-dimethoxy-phenyl)ethylamino]methyl]phenol",InChI:"1S/C17H20INO3/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20/h3-6,9-10,19-20H,7-8,11H2,1-2H3",InChIKey:"FEUZHYRXGQTBRO-UHFFFAOYSA-N","Log P":4,"Exact Mass":413.04879,"Molecular Formula":"C17H20INO3","Molecular Weight":413.25,"Monoisotopic Mass":413.04879,Charge:0,"Easy Name":"25I-NBOH","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C17H20I1N1O3"},10033008:{PUBCHEM:{CID:"10033008","Compound Complexity":1550,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":4,"Rotatable Bond":11,"IUPAC Name Allowed":"[(3R,4R,4aR)-5-[(5R,6R,10aR)-5-acetoxy-10a-(acetoxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetoxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name CAS-like Style":"Acetic acid [(3R,4R,4aR)-5-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl ester","IUPAC Name Markup":"[(3R,4R,4aR)-5-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name Preferred":"[(3R,4R,4aR)-5-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name Systematic":"[(3R,4R,4aR)-5-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-6-methyl-1,9-bis(oxidanyl)-8-oxidanylidene-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-3-methyl-8,9-bis(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthen-4a-yl]methyl ethanoate","IUPAC Name Traditional":"Acetic acid [(3R,4R,4aR)-5-[(5R,6R,10aR)-5-acetoxy-10a-(acetoxymethyl)-1,9-dihydroxy-8-keto-6-methyl-6,7-dihydro-5H-xanthen-4-yl]-4-acetoxy-8,9-dihydroxy-1-keto-3-methyl-3,4-dihydro-2H-xanthen-4a-yl]methyl ester",InChI:"1S/C38H38O16/c1-15-11-25(45)29-31(47)27-23(43)9-7-21(33(27)53-37(29,13-49-17(3)39)35(15)51-19(5)41)22-8-10-24(44)28-32(48)30-26(46)12-16(2)36(52-20(6)42)38(30,54-34(22)28)14-50-18(4)40/h7-10,15-16,35-36,43-44,47-48H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1",InChIKey:"ZCLZNQUALWMDDN-ACMZUNAXSA-N","Log P":2.7,"Exact Mass":750.21598514,"Molecular Formula":"C38H38O16","Molecular Weight":750.7,"Monoisotopic Mass":750.21598514,Charge:0,"Easy Name":"Phomoxanthone A","Easy Category":"Mycotoxins"},HSDB:{},ReducedFormula:"C38H38O16"},10033009:{PUBCHEM:{CID:"10033009","Compound Complexity":1670,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":4,"Rotatable Bond":11,"IUPAC Name Allowed":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetoxy-10a-(acetoxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetoxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name CAS-like Style":"Acetic acid [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl ester","IUPAC Name Markup":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name Preferred":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name Systematic":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-6-methyl-1,9-bis(oxidanyl)-8-oxidanylidene-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-3-methyl-8,9-bis(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthen-4a-yl]methyl ethanoate","IUPAC Name Traditional":"Acetic acid [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetoxy-10a-(acetoxymethyl)-1,9-dihydroxy-8-keto-6-methyl-6,7-dihydro-5H-xanthen-4-yl]-4-acetoxy-8,9-dihydroxy-1-keto-3-methyl-3,4-dihydro-2H-xanthen-4a-yl]methyl ester",InChI:"1S/C38H38O16/c1-15-11-25(45)30-33(48)28-26(53-37(30,13-49-17(3)39)35(15)51-19(5)41)10-8-21(31(28)46)22-7-9-23(43)27-32(47)29-24(44)12-16(2)36(52-20(6)42)38(29,54-34(22)27)14-50-18(4)40/h7-10,15-16,35-36,43,46-48H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1",InChIKey:"RWPGIQJRECCQEK-ACMZUNAXSA-N","Log P":2.7,"Exact Mass":750.21598514,"Molecular Formula":"C38H38O16","Molecular Weight":750.7,"Monoisotopic Mass":750.21598514,Charge:0,"Easy Name":"Phomoxanthone B","Easy Category":"Mycotoxins"},HSDB:{},ReducedFormula:"C38H38O16"},10041987:{PUBCHEM:{CID:"10041987","Compound Complexity":457,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1H-quinazoline-2,4-dione","IUPAC Name CAS-like Style":"3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1H-quinazoline-2,4-dione","IUPAC Name Markup":"3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1H-quinazoline-2,4-dione","IUPAC Name Preferred":"3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1H-quinazoline-2,4-dione","IUPAC Name Systematic":"3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1H-quinazoline-2,4-dione","IUPAC Name Traditional":"3-[2-(o-anisylamino)ethyl]-1H-quinazoline-2,4-quinone",InChI:"1S/C18H19N3O3/c1-24-16-9-5-2-6-13(16)12-19-10-11-21-17(22)14-7-3-4-8-15(14)20-18(21)23/h2-9,19H,10-12H2,1H3,(H,20,23)",InChIKey:"NUAJBITWGGTZCM-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":325.14264148,"Molecular Formula":"C18H19N3O3","Molecular Weight":325.4,"Monoisotopic Mass":325.14264148,Charge:0,"Easy Name":"RH-34","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C18H19N3O3"},10055578:{PUBCHEM:{CID:"10055578","Compound Complexity":1550,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":5,"Rotatable Bond":9,"IUPAC Name Allowed":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetoxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetoxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name CAS-like Style":"Acetic acid [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl ester","IUPAC Name Markup":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name Preferred":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name Systematic":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(hydroxymethyl)-6-methyl-1,9-bis(oxidanyl)-8-oxidanylidene-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-3-methyl-8,9-bis(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthen-4a-yl]methyl ethanoate","IUPAC Name Traditional":"Acetic acid [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetoxy-1,9-dihydroxy-8-keto-6-methyl-10a-methylol-6,7-dihydro-5H-xanthen-2-yl]-4-acetoxy-8,9-dihydroxy-1-keto-3-methyl-3,4-dihydro-2H-xanthen-4a-yl]methyl ester",InChI:"1S/C36H36O15/c1-14-10-21(41)27-31(45)25-23(50-35(27,12-37)33(14)48-17(4)39)8-6-19(29(25)43)20-7-9-24-26(30(20)44)32(46)28-22(42)11-15(2)34(49-18(5)40)36(28,51-24)13-47-16(3)38/h6-9,14-15,33-34,37,43-46H,10-13H2,1-5H3/t14-,15-,33-,34-,35+,36+/m1/s1",InChIKey:"ZPEWXLLVRGMQRM-NKSNWBLISA-N","Log P":2.2,"Exact Mass":708.20542045,"Molecular Formula":"C36H36O15","Molecular Weight":708.7,"Monoisotopic Mass":708.20542045,Charge:0,"Easy Name":"Dicerandrol B","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C36H36O15"},10067667:{PUBCHEM:{CID:"10067667","Compound Complexity":408,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name CAS-like Style":"2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Markup":"2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Preferred":"2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Systematic":"2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Traditional":"2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethyl-o-anisyl-amine",InChI:"1S/C19H22F3NO3/c1-24-16-7-5-4-6-14(16)12-23-9-8-13-10-18(26-3)15(19(20,21)22)11-17(13)25-2/h4-7,10-11,23H,8-9,12H2,1-3H3",InChIKey:"FBHVTQIAHOTPAM-UHFFFAOYSA-N","Log P":4,"Exact Mass":369.15517806,"Molecular Formula":"C19H22F3NO3","Molecular Weight":369.4,"Monoisotopic Mass":369.15517806,Charge:0,"Easy Name":"2C-TFM-NBOMe","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C19F3H22N1O3"},10082683:{PUBCHEM:{CID:"10082683","Compound Complexity":244,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"3-[2-[isopropyl(methyl)amino]ethyl]-1H-indol-4-ol","IUPAC Name CAS-like Style":"3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-ol","IUPAC Name Markup":"3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-ol","IUPAC Name Preferred":"3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-ol","IUPAC Name Systematic":"3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-ol","IUPAC Name Traditional":"3-[2-[isopropyl(methyl)amino]ethyl]-1H-indol-4-ol",InChI:"1S/C14H20N2O/c1-10(2)16(3)8-7-11-9-15-12-5-4-6-13(17)14(11)12/h4-6,9-10,15,17H,7-8H2,1-3H3",InChIKey:"RXKGHZCQFXXWFQ-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":232.15756327,"Molecular Formula":"C14H20N2O","Molecular Weight":232.32,"Monoisotopic Mass":232.15756327,Charge:0,"Easy Name":"4-HO-MiPT","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C14H20N2O1"},10101379:{PUBCHEM:{CID:"10101379","Compound Complexity":1600,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":5,"Rotatable Bond":0,"IUPAC Name Allowed":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name CAS-like Style":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Markup":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Preferred":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Systematic":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloranyl-3,7,9,11,17,21,27-heptamethyl-4,10,14,20-tetrakis(oxidanyl)-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Traditional":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone",InChI:"1S/C40H46ClNO9/c1-20-11-9-8-10-12-23(4)40(51)42-34-33(41)39(50)31-28(38(34)49)18-26(7)37(48)32(31)36(47)25(6)17-24(5)35(46)22(3)14-16-27(43)15-13-21(2)30(45)19-29(20)44/h8-14,16-18,20,22,24,27,29,35,43-44,46,48H,15,19H2,1-7H3,(H,42,51)/b10-8-,11-9+,16-14+,21-13+,23-12-,25-17+/t20-,22-,24-,27-,29-,35-/m0/s1",InChIKey:"AXEGRHYJHHPVDH-UMKVKWLOSA-N","Log P":6.1,"Exact Mass":719.2861098,"Molecular Formula":"C40H46ClNO9","Molecular Weight":720.2,"Monoisotopic Mass":719.2861098,Charge:0,"Easy Name":"Naphthomycin A","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C40Cl1H46N1O9"},10103133:{PUBCHEM:{CID:"10103133","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltic;trihydroxide","IUPAC Name CAS-like Style":"Cobalt(3+);trihydroxide","IUPAC Name Markup":"Cobalt(3+);trihydroxide","IUPAC Name Preferred":"Cobalt(3+);trihydroxide","IUPAC Name Systematic":"Cobalt(3+);trihydroxide","IUPAC Name Traditional":"Cobaltic;trihydroxide",InChI:"1S/Co.3H2O/h;3*1H2/q+3;;;/p-3",InChIKey:"FXVNMSSSMOVRTC-UHFFFAOYSA-K","Exact Mass":109.941413,"Molecular Formula":"CoH3O3","Molecular Weight":109.955,"Monoisotopic Mass":109.941413,Charge:0,"Easy Name":"Cobalt (III) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Co1H3O3"},10129889:{PUBCHEM:{CID:"10129889","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;nitrate","IUPAC Name CAS-like Style":"Lithium;nitrate","IUPAC Name Markup":"Lithium;nitrate","IUPAC Name Preferred":"Lithium;nitrate","IUPAC Name Systematic":"Lithium;nitrate","IUPAC Name Traditional":"Lithium;nitrate",InChI:"1S/Li.NO3/c;2-1(3)4/q+1;-1",InChIKey:"IIPYXGDZVMZOAP-UHFFFAOYSA-N","Exact Mass":69.0038213,"Molecular Formula":"LiNO3","Molecular Weight":69,"Monoisotopic Mass":69.0038213,Charge:0,"Easy Name":"Lithium nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Li1N1O3"},10129897:{PUBCHEM:{CID:"10129897","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;dihydroxide","IUPAC Name CAS-like Style":"Iron(2+);dihydroxide","IUPAC Name Markup":"Iron(2+);dihydroxide","IUPAC Name Preferred":"Iron(2+);dihydroxide","IUPAC Name Systematic":"Iron(2+);dihydroxide","IUPAC Name Traditional":"Ferrous;dihydroxide",InChI:"1S/Fe.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"NCNCGGDMXMBVIA-UHFFFAOYSA-L","Exact Mass":89.940415,"Molecular Formula":"FeH2O2","Molecular Weight":89.86,"Monoisotopic Mass":89.940415,Charge:0,"Easy Name":"Iron (II) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Fe1H2O2"},10129900:{PUBCHEM:{CID:"10129900","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltous;dihydroxide","IUPAC Name CAS-like Style":"Cobalt(2+);dihydroxide","IUPAC Name Markup":"Cobalt(2+);dihydroxide","IUPAC Name Preferred":"Cobalt(2+);dihydroxide","IUPAC Name Systematic":"Cobalt(2+);dihydroxide","IUPAC Name Traditional":"Cobaltous;dihydroxide",InChI:"1S/Co.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"ASKVAEGIVYSGNY-UHFFFAOYSA-L","Exact Mass":92.938673,"Molecular Formula":"CoH2O2","Molecular Weight":92.948,"Monoisotopic Mass":92.938673,Charge:0,"Easy Name":"Cobalt (II) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Co1H2O2"},10129902:{PUBCHEM:{CID:"10129902","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;peroxide","IUPAC Name CAS-like Style":"Zinc;peroxide","IUPAC Name Markup":"Zinc;peroxide","IUPAC Name Preferred":"Zinc;peroxide","IUPAC Name Systematic":"Zinc;peroxide","IUPAC Name Traditional":"Zinc;peroxide",InChI:"1S/O2.Zn/c1-2;/q-2;+2",InChIKey:"IPTOGCUGCFHDSS-UHFFFAOYSA-N","Exact Mass":95.918971,"Molecular Formula":"O2Zn","Molecular Weight":97.4,"Monoisotopic Mass":95.918971,Charge:0,"Easy Name":"Zinc peroxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O2Zn1"},10129917:{PUBCHEM:{CID:"10129917","Compound Complexity":79.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/FHO3S.Li/c1-5(2,3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"CHHOPPGAFVFXFS-UHFFFAOYSA-M","Exact Mass":105.97122163,"Molecular Formula":"FLiO3S","Molecular Weight":106,"Monoisotopic Mass":105.97122163,Charge:0,"Easy Name":"Lithium fluorosulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1Li1O3S1"},10129950:{PUBCHEM:{CID:"10129950","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;hydroxide","IUPAC Name CAS-like Style":"Silver;hydroxide","IUPAC Name Markup":"Silver;hydroxide","IUPAC Name Preferred":"Silver;hydroxide","IUPAC Name Systematic":"Silver;hydroxide","IUPAC Name Traditional":"Silver;hydroxide",InChI:"1S/Ag.H2O/h;1H2/q+1;/p-1",InChIKey:"UKHWJBVVWVYFEY-UHFFFAOYSA-M","Exact Mass":123.90783,"Molecular Formula":"AgHO","Molecular Weight":124.876,"Monoisotopic Mass":123.90783,Charge:0,"Easy Name":"Silver hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Ag1H1O1"},10130093:{PUBCHEM:{CID:"10130093","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicuprous;sulfide","IUPAC Name CAS-like Style":"Copper(1+);sulfide","IUPAC Name Markup":"Copper(1+);sulfide","IUPAC Name Preferred":"Copper(1+);sulfide","IUPAC Name Systematic":"Copper(1+);sulfide","IUPAC Name Traditional":"Dicuprous;sulfide",InChI:"1S/2Cu.S/q2*+1;-2",InChIKey:"AQMRBJNRFUQADD-UHFFFAOYSA-N","Exact Mass":157.831266,"Molecular Formula":"Cu2S","Molecular Weight":159.16,"Monoisotopic Mass":157.831266,Charge:0,"Easy Name":"Copper (I) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cu2S1"},10148997:{PUBCHEM:{CID:"10148997","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Diammonium;fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Diazanium;fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Diazanium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Diazanium;fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Diammonium;fluoro-keto-dioxido-phosphorane",InChI:"1S/FH2O3P.2H3N/c1-5(2,3)4;;/h(H2,2,3,4);2*1H3",InChIKey:"SAEOCANGOMBQSP-UHFFFAOYSA-N","Exact Mass":134.02565729,"Molecular Formula":"FH8N2O3P","Molecular Weight":134.05,"Monoisotopic Mass":134.02565729,Charge:0,"Easy Name":"Diammonium phosphorofluoridate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1H8N2O3P1"},10154e3:{PUBCHEM:{CID:"10154000","Compound Complexity":42.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-hydroxybutanal","IUPAC Name CAS-like Style":"2-hydroxybutanal","IUPAC Name Markup":"2-hydroxybutanal","IUPAC Name Preferred":"2-hydroxybutanal","IUPAC Name Systematic":"2-oxidanylbutanal","IUPAC Name Traditional":"2-hydroxybutyraldehyde",InChI:"1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3",InChIKey:"UIKQNMXWCYQNCS-UHFFFAOYSA-N","Log P":0,"Exact Mass":88.052429497,"Molecular Formula":"C4H8O2","Molecular Weight":88.11,"Monoisotopic Mass":88.052429497,Charge:0,"Easy Name":"2-Hydroxybutanal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C4H8O2"},10154021:{PUBCHEM:{CID:"10154021","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromic;trifluoride","IUPAC Name CAS-like Style":"Chromium(3+);trifluoride","IUPAC Name Markup":"Chromium(3+);trifluoride","IUPAC Name Preferred":"Chromium(3+);trifluoride","IUPAC Name Systematic":"Chromium(3+);trifluoride","IUPAC Name Traditional":"Chromic;trifluoride",InChI:"1S/Cr.3FH/h;3*1H/q+3;;;/p-3",InChIKey:"FTBATIJJKIIOTP-UHFFFAOYSA-K","Exact Mass":108.935714,"Molecular Formula":"CrF3","Molecular Weight":108.991,"Monoisotopic Mass":108.935714,Charge:0,"Easy Name":"Chromium trifluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1F3"},10154045:{PUBCHEM:{CID:"10154045","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Gallium;trihydroxide","IUPAC Name CAS-like Style":"Gallium;trihydroxide","IUPAC Name Markup":"Gallium;trihydroxide","IUPAC Name Preferred":"Gallium;trihydroxide","IUPAC Name Systematic":"Gallium;trihydroxide","IUPAC Name Traditional":"Gallium;trihydroxide",InChI:"1S/Ga.3H2O/h;3*1H2/q+3;;;/p-3",InChIKey:"DNUARHPNFXVKEI-UHFFFAOYSA-K","Exact Mass":119.93379,"Molecular Formula":"GaH3O3","Molecular Weight":120.75,"Monoisotopic Mass":119.93379,Charge:0,"Easy Name":"Gallium (III) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Ga1H3O3"},10154057:{PUBCHEM:{CID:"10154057","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cuprous;nitrate","IUPAC Name CAS-like Style":"Copper(1+);nitrate","IUPAC Name Markup":"Copper(1+);nitrate","IUPAC Name Preferred":"Copper(1+);nitrate","IUPAC Name Systematic":"Copper(1+);nitrate","IUPAC Name Traditional":"Cuprous;nitrate",InChI:"1S/Cu.NO3/c;2-1(3)4/q+1;-1",InChIKey:"XVOMHXSMRIJNDW-UHFFFAOYSA-N","Exact Mass":124.917415,"Molecular Formula":"CuNO3","Molecular Weight":125.55,"Monoisotopic Mass":124.917415,Charge:0,"Easy Name":"Copper (I) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cu1N1O3"},10176082:{PUBCHEM:{CID:"10176082","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;trihydroxide","IUPAC Name CAS-like Style":"Aluminum;trihydroxide","IUPAC Name Markup":"Aluminum;trihydroxide","IUPAC Name Preferred":"Aluminum;trihydroxide","IUPAC Name Systematic":"Aluminum;trihydroxide","IUPAC Name Traditional":"Aluminum;trihydroxide",InChI:"1S/Al.3H2O/h;3*1H2/q+3;;;/p-3",InChIKey:"WNROFYMDJYEPJX-UHFFFAOYSA-K","Exact Mass":77.9897574,"Molecular Formula":"AlH3O3","Molecular Weight":78.004,"Monoisotopic Mass":77.9897574,Charge:0,"Easy Name":"Aluminium hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Al1H3O3"},10176262:{PUBCHEM:{CID:"10176262","Compound Complexity":24.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;hydrogen carbonate","IUPAC Name CAS-like Style":"Calcium;hydrogen carbonate","IUPAC Name Markup":"Calcium;hydrogen carbonate","IUPAC Name Preferred":"Calcium;hydrogen carbonate","IUPAC Name Systematic":"Calcium;hydrogen carbonate","IUPAC Name Traditional":"Calcium;dibicarbonate",InChI:"1S/2CH2O3.Ca/c2*2-1(3)4;/h2*(H2,2,3,4);/q;;+2/p-2",InChIKey:"NKWPZUCBCARRDP-UHFFFAOYSA-L","Exact Mass":161.9477286,"Molecular Formula":"C2H2CaO6","Molecular Weight":162.11,"Monoisotopic Mass":161.9477286,Charge:0,"Easy Name":"Calcium bicarbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C2Ca1H2O6"},10176372:{PUBCHEM:{CID:"10176372","Compound Complexity":162,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R,4R,5S)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2S,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2S,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2S,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2S,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2S,3R,4R,5S)-2-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6-/m0/s1",InChIKey:"LKDRXBCSQODPBY-KCDKBNATSA-N","Log P":-2.8,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-L-Tagatopyranose","Easy Category":"Ketohexoses"},HSDB:{},ReducedFormula:"C6H12O6"},10179077:{PUBCHEM:{CID:"10179077","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(3+);trisulfide","IUPAC Name CAS-like Style":"Europium(3+);trisulfide","IUPAC Name Markup":"Europium(3+);trisulfide","IUPAC Name Preferred":"Europium(3+);trisulfide","IUPAC Name Systematic":"Europium(3+);trisulfide","IUPAC Name Traditional":"Europium(3+);trisulfide",InChI:"1S/2Eu.3S/q2*+3;3*-2",InChIKey:"KEMUEHZZQALNNS-UHFFFAOYSA-N","Exact Mass":399.75731,"Molecular Formula":"Eu2S3","Molecular Weight":400.1,"Monoisotopic Mass":401.75869,Charge:0,"Easy Name":"Europium (III) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Eu2S3"},10197612:{PUBCHEM:{CID:"10197612","Compound Complexity":30.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxadiazole","IUPAC Name CAS-like Style":"Oxadiazole","IUPAC Name Markup":"Oxadiazole","IUPAC Name Preferred":"Oxadiazole","IUPAC Name Systematic":"1,2,3-oxadiazole","IUPAC Name Traditional":"Oxadiazole",InChI:"1S/C2H2N2O/c1-2-5-4-3-1/h1-2H",InChIKey:"WCPAKWJPBJAGKN-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":70.016712693,"Molecular Formula":"C2H2N2O","Molecular Weight":70.05,"Monoisotopic Mass":70.016712693,Charge:0,"Easy Name":"1, 2, 3-Oxadiazole","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C2H2N2O1"},10197613:{PUBCHEM:{CID:"10197613","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;sulfide","IUPAC Name CAS-like Style":"Calcium;sulfide","IUPAC Name Markup":"Calcium;sulfide","IUPAC Name Preferred":"Calcium;sulfide","IUPAC Name Systematic":"Calcium;sulfide","IUPAC Name Traditional":"Calcium;sulfide",InChI:"1S/Ca.S/q+2;-2",InChIKey:"AGVJBLHVMNHENQ-UHFFFAOYSA-N","Exact Mass":71.934662,"Molecular Formula":"CaS","Molecular Weight":72.15,"Monoisotopic Mass":71.934662,Charge:0,"Easy Name":"Calcium sulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Ca1S1"},10197680:{PUBCHEM:{CID:"10197680","Compound Complexity":15.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;diazide","IUPAC Name CAS-like Style":"Calcium;diazide","IUPAC Name Markup":"Calcium;diazide","IUPAC Name Preferred":"Calcium;diazide","IUPAC Name Systematic":"Calcium;diazide","IUPAC Name Traditional":"Calcium;diazide",InChI:"1S/Ca.2N3/c;2*1-3-2/q+2;2*-1",InChIKey:"UETLMBWMVIQIGU-UHFFFAOYSA-N","Exact Mass":123.9810349,"Molecular Formula":"CaN6","Molecular Weight":124.12,"Monoisotopic Mass":123.9810349,Charge:0,"Easy Name":"Calcium azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1N6"},10197832:{PUBCHEM:{CID:"10197832","Compound Complexity":25.5,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Aluminum;diacetate;hydroxide","IUPAC Name CAS-like Style":"Aluminum;diacetate;hydroxide","IUPAC Name Markup":"Aluminum;diacetate;hydroxide","IUPAC Name Preferred":"Aluminum;diacetate;hydroxide","IUPAC Name Systematic":"Aluminum;diethanoate;hydroxide","IUPAC Name Traditional":"Aluminum;diacetate;hydroxide",InChI:"1S/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3",InChIKey:"HQQUTGFAWJNQIP-UHFFFAOYSA-K","Exact Mass":162.0108867,"Molecular Formula":"C4H7AlO5","Molecular Weight":162.08,"Monoisotopic Mass":162.0108867,Charge:0,"Easy Name":"Aluminum diacetate hydroxide","Easy Category":"Basic salts"},HSDB:{},ReducedFormula:"Al1C4H7O5"},10197964:{PUBCHEM:{CID:"10197964","Compound Complexity":46.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;hydrogen phosphate","IUPAC Name CAS-like Style":"Strontium;hydrogen phosphate","IUPAC Name Markup":"Strontium;hydrogen phosphate","IUPAC Name Preferred":"Strontium;hydrogen phosphate","IUPAC Name Systematic":"Strontium;hydrogen phosphate","IUPAC Name Traditional":"Strontium;hydrogen phosphate",InChI:"1S/H3O4P.Sr/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+2/p-2",InChIKey:"HKSVWJWYDJQNEV-UHFFFAOYSA-L","Exact Mass":183.86685776,"Molecular Formula":"HO4PSr","Molecular Weight":183.6,"Monoisotopic Mass":183.86685776,Charge:0,"Easy Name":"Strontium hydrogenphosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H1O4P1Sr1"},10219363:{PUBCHEM:{CID:"10219363","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;azanide","IUPAC Name CAS-like Style":"Magnesium;azanide","IUPAC Name Markup":"Magnesium;azanide","IUPAC Name Preferred":"Magnesium;azanide","IUPAC Name Systematic":"Magnesium;azanide","IUPAC Name Traditional":"Magnesium;azanide",InChI:"1S/Mg.2H2N/h;2*1H2/q+2;2*-1",InChIKey:"PKMBLJNMKINMSK-UHFFFAOYSA-N","Exact Mass":56.0224898,"Molecular Formula":"H4MgN2","Molecular Weight":56.35,"Monoisotopic Mass":56.0224898,Charge:0,"Easy Name":"Magnesium diazanide","Easy Category":"Inorganic amides"},HSDB:{},ReducedFormula:"H4Mg1N2"},10219383:{PUBCHEM:{CID:"10219383","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltous;difluoride","IUPAC Name CAS-like Style":"Cobalt(2+);difluoride","IUPAC Name Markup":"Cobalt(2+);difluoride","IUPAC Name Preferred":"Cobalt(2+);difluoride","IUPAC Name Systematic":"Cobalt(2+);difluoride","IUPAC Name Traditional":"Cobaltous;difluoride",InChI:"1S/Co.2FH/h;2*1H/q+2;;/p-2",InChIKey:"YCYBZKSMUPTWEE-UHFFFAOYSA-L","Exact Mass":96.93,"Molecular Formula":"CoF2","Molecular Weight":96.93,"Monoisotopic Mass":96.93,Charge:0,"Easy Name":"Cobalt (II) fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Co1F2"},10219420:{PUBCHEM:{CID:"10219420","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;sulfide","IUPAC Name CAS-like Style":"Strontium;sulfide","IUPAC Name Markup":"Strontium;sulfide","IUPAC Name Preferred":"Strontium;sulfide","IUPAC Name Systematic":"Strontium;sulfide","IUPAC Name Traditional":"Strontium;sulfide",InChI:"1S/S.Sr/q-2;+2",InChIKey:"ZEGFMFQPWDMMEP-UHFFFAOYSA-N","Exact Mass":119.87768343,"Molecular Formula":"SSr","Molecular Weight":119.7,"Monoisotopic Mass":119.87768343,Charge:0,"Easy Name":"Strontium sulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"S1Sr1"},10219648:{PUBCHEM:{CID:"10219648","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Dipotassium;fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Dipotassium;fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Dipotassium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Dipotassium;fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Dipotassium;fluoro-keto-dioxido-phosphorane",InChI:"1S/FH2O3P.2K/c1-5(2,3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",InChIKey:"FXNRKXSSLJKNGH-UHFFFAOYSA-L","Exact Mass":175.88432199,"Molecular Formula":"FK2O3P","Molecular Weight":176.167,"Monoisotopic Mass":175.88432199,Charge:0,"Easy Name":"Dipotassium phosphorofluoridate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1K2O3P1"},10251906:{PUBCHEM:{CID:"10251906","Compound Complexity":331,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"2-(4-iodo-2,5-dimethoxy-phenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name CAS-like Style":"2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Markup":"2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Preferred":"2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Systematic":"2-(4-iodanyl-2,5-dimethoxy-phenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Traditional":"2-(4-iodo-2,5-dimethoxy-phenyl)ethyl-o-anisyl-amine",InChI:"1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3",InChIKey:"ZFUOLNAKPBFDIJ-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":427.06444,"Molecular Formula":"C18H22INO3","Molecular Weight":427.3,"Monoisotopic Mass":427.06444,Charge:0,"Easy Name":"25I-NBOMe","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C18H22I1N1O3"},10258888:{PUBCHEM:{CID:"10258888","Compound Complexity":1330,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":6,"Rotatable Bond":7,"IUPAC Name Allowed":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetoxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4-yl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4-yl] ester","IUPAC Name Markup":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4-yl] acetate","IUPAC Name Preferred":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4-yl] acetate","IUPAC Name Systematic":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(hydroxymethyl)-6-methyl-1,9-bis(oxidanyl)-8-oxidanylidene-6,7-dihydro-5H-xanthen-2-yl]-4a-(hydroxymethyl)-3-methyl-8,9-bis(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthen-4-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetoxy-1,9-dihydroxy-8-keto-6-methyl-10a-methylol-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-1-keto-3-methyl-4a-methylol-3,4-dihydro-2H-xanthen-4-yl] ester",InChI:"1S/C34H34O14/c1-13-9-19(39)25-29(43)23-21(47-33(25,11-35)31(13)45-15(3)37)7-5-17(27(23)41)18-6-8-22-24(28(18)42)30(44)26-20(40)10-14(2)32(46-16(4)38)34(26,12-36)48-22/h5-8,13-14,31-32,35-36,41-44H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1",InChIKey:"KMPJMYCHERZRLM-FNCICBJWSA-N","Log P":1.6,"Exact Mass":666.19485577,"Molecular Formula":"C34H34O14","Molecular Weight":666.6,"Monoisotopic Mass":666.19485577,Charge:0,"Easy Name":"Dicerandrol A","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C34H34O14"},10265873:{PUBCHEM:{CID:"10265873","Compound Complexity":263,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f]benzofuran-8-yl)ethanamine","IUPAC Name CAS-like Style":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f]benzofuran-8-yl)ethanamine","IUPAC Name Markup":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine","IUPAC Name Preferred":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine","IUPAC Name Systematic":"2-(4-bromanyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine","IUPAC Name Traditional":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f]benzofuran-8-yl)ethylamine",InChI:"1S/C12H14BrNO2/c13-10-9-3-6-15-11(9)7(1-4-14)8-2-5-16-12(8)10/h1-6,14H2",InChIKey:"YZDFADGMVOSVIX-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":283.02079,"Molecular Formula":"C12H14BrNO2","Molecular Weight":284.15,"Monoisotopic Mass":283.02079,Charge:0,"Easy Name":"2C-B-FLY","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C12H14N1O2"},10267191:{PUBCHEM:{CID:"10267191","Compound Complexity":168,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(4-iodo-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(4-iodo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Markup":"2-(4-iodo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-iodo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-iodanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-(4-iodo-2,5-dimethoxy-phenyl)ethylamine",InChI:"1S/C10H14INO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3",InChIKey:"PQHQBRJAAZQXHL-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":307.00693,"Molecular Formula":"C10H14INO2","Molecular Weight":307.13,"Monoisotopic Mass":307.00693,Charge:0,"Easy Name":"2C-I","Easy Category":"Organoiodine compound"},HSDB:{},ReducedFormula:"C10H14I1N1O2"},10285888:{PUBCHEM:{CID:"10285888","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Vanadium(2+);dibromide","IUPAC Name CAS-like Style":"Vanadium(2+);dibromide","IUPAC Name Markup":"Vanadium(2+);dibromide","IUPAC Name Preferred":"Vanadium(2+);dibromide","IUPAC Name Systematic":"Vanadium(2+);dibromide","IUPAC Name Traditional":"Vanadium(2+);dibromide",InChI:"1S/2BrH.V/h2*1H;/q;;+2/p-2",InChIKey:"WSJLOGNSKRVGAD-UHFFFAOYSA-L","Exact Mass":210.77858,"Molecular Formula":"Br2V","Molecular Weight":210.75,"Monoisotopic Mass":208.78063,Charge:0,"Easy Name":"Vanadium (II) bromide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Br2V1"},10290727:{PUBCHEM:{CID:"10290727","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dilithium;sulfide","IUPAC Name CAS-like Style":"Dilithium;sulfide","IUPAC Name Markup":"Dilithium;sulfide","IUPAC Name Preferred":"Dilithium;sulfide","IUPAC Name Systematic":"Dilithium;sulfide","IUPAC Name Traditional":"Dilithium;sulfide",InChI:"1S/2Li.S/q2*+1;-2",InChIKey:"GLNWILHOFOBOFD-UHFFFAOYSA-N","Exact Mass":46.00407805,"Molecular Formula":"Li2S","Molecular Weight":46,"Monoisotopic Mass":46.00407805,Charge:0,"Easy Name":"Lithium sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Li2S1"},10290740:{PUBCHEM:{CID:"10290740","Compound Complexity":15.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;azide","IUPAC Name CAS-like Style":"Potassium;azide","IUPAC Name Markup":"Potassium;azide","IUPAC Name Preferred":"Potassium;azide","IUPAC Name Systematic":"Potassium;azide","IUPAC Name Traditional":"Potassium;azide",InChI:"1S/K.N3/c;1-3-2/q+1;-1",InChIKey:"TZLVRPLSVNESQC-UHFFFAOYSA-N","Exact Mass":80.9729285,"Molecular Formula":"KN3","Molecular Weight":81.119,"Monoisotopic Mass":80.9729285,Charge:0,"Easy Name":"Potassium azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K1N3"},10290742:{PUBCHEM:{CID:"10290742","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;sulfide","IUPAC Name CAS-like Style":"Iron(2+);sulfide","IUPAC Name Markup":"Iron(2+);sulfide","IUPAC Name Preferred":"Iron(2+);sulfide","IUPAC Name Systematic":"Iron(2+);sulfide","IUPAC Name Traditional":"Ferrous;sulfide",InChI:"1S/Fe.S/q+2;-2",InChIKey:"GNVXPFBEZCSHQZ-UHFFFAOYSA-N","Exact Mass":87.907007,"Molecular Formula":"FeS","Molecular Weight":87.91,"Monoisotopic Mass":87.907007,Charge:0,"Easy Name":"Iron (II) sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1S1"},10290779:{PUBCHEM:{CID:"10290779","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;potassium;trifluoride","IUPAC Name CAS-like Style":"Magnesium;potassium;trifluoride","IUPAC Name Markup":"Magnesium;potassium;trifluoride","IUPAC Name Preferred":"Magnesium;potassium;trifluoride","IUPAC Name Systematic":"Magnesium;potassium;trifluoride","IUPAC Name Traditional":"Magnesium;potassium;trifluoride",InChI:"1S/3FH.K.Mg/h3*1H;;/q;;;+1;+2/p-3",InChIKey:"QGKQZUBNOZRZAH-UHFFFAOYSA-K","Exact Mass":119.9439577,"Molecular Formula":"F3KMg","Molecular Weight":120.399,"Monoisotopic Mass":119.9439577,Charge:0,"Easy Name":"Magnesium Potassium Fluoride","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F3K1Mg1"},10313046:{PUBCHEM:{CID:"10313046","Compound Complexity":15.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;azide","IUPAC Name CAS-like Style":"Ammonium;azide","IUPAC Name Markup":"Azanium;azide","IUPAC Name Preferred":"Azanium;azide","IUPAC Name Systematic":"Azanium;azide","IUPAC Name Traditional":"Ammonium;azide",InChI:"1S/N3.H3N/c1-3-2;/h;1H3/q-1;/p+1",InChIKey:"UAZDIGCOBKKMPU-UHFFFAOYSA-O","Exact Mass":60.043596147,"Molecular Formula":"H4N4","Molecular Weight":60.06,"Monoisotopic Mass":60.043596147,Charge:0,"Easy Name":"Ammonium azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H4N4"},10313194:{PUBCHEM:{CID:"10313194","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicuprous;oxygen(2-)","IUPAC Name CAS-like Style":"Copper(1+);oxygen(2-)","IUPAC Name Markup":"Copper(1+);oxygen(2-)","IUPAC Name Preferred":"Copper(1+);oxygen(2-)","IUPAC Name Systematic":"Copper(1+);oxygen(2-)","IUPAC Name Traditional":"Dicuprous;oxygen(2-)",InChI:"1S/2Cu.O/q2*+1;-2",InChIKey:"KRFJLUBVMFXRPN-UHFFFAOYSA-N","Exact Mass":141.854109,"Molecular Formula":"Cu2O","Molecular Weight":143.09,"Monoisotopic Mass":141.854109,Charge:0,"Easy Name":"Copper (I) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Cu2O1"},10313210:{PUBCHEM:{CID:"10313210","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Cadmium(2+);dihydroxide","IUPAC Name CAS-like Style":"Cadmium(2+);dihydroxide","IUPAC Name Markup":"Cadmium(2+);dihydroxide","IUPAC Name Preferred":"Cadmium(2+);dihydroxide","IUPAC Name Systematic":"Cadmium(2+);dihydroxide","IUPAC Name Traditional":"Cadmium(2+);dihydroxide",InChI:"1S/Cd.2H2O/h;2*1H2/q+2;;/p-2",InChIKey:"PLLZRTNVEXYBNA-UHFFFAOYSA-L","Exact Mass":147.908844,"Molecular Formula":"CdH2O2","Molecular Weight":146.43,"Monoisotopic Mass":147.908844,Charge:0,"Easy Name":"Cadmium hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Cd1H2O2"},10313406:{PUBCHEM:{CID:"10313406","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Yttrium(3+);phosphate","IUPAC Name CAS-like Style":"Yttrium(3+);phosphate","IUPAC Name Markup":"Yttrium(3+);phosphate","IUPAC Name Preferred":"Yttrium(3+);phosphate","IUPAC Name Systematic":"Yttrium(3+);phosphate","IUPAC Name Traditional":"Yttrium(3+);phosphate",InChI:"1S/H3O4P.Y/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",InChIKey:"UXBZSSBXGPYSIL-UHFFFAOYSA-K","Exact Mass":183.85926,"Molecular Formula":"O4PY","Molecular Weight":183.877,"Monoisotopic Mass":183.85926,Charge:0,"Easy Name":"Yttrium (III) phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O4P1Y1"},10328411:{PUBCHEM:{CID:"10328411","Compound Complexity":2170,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":5,"Rotatable Bond":1,InChI:"1S/C54H74N2O10/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-63-53(26)43(60)22-46(3,4)65-53)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,62)27(2)54(64-45)44(61)23-47(5,24-57)66-54/h14,19,26-32,34-35,41,43-45,57-58,60-62H,9-13,15-18,20-25H2,1-8H3/t26-,27-,28-,29-,30-,31+,32+,34-,35-,41+,43+,44+,45-,47-,48-,49-,50+,51+,52+,53+,54-/m0/s1",InChIKey:"HHBSFXFIMWLBAI-QEEYNDHBSA-N","Log P":3.7,"Exact Mass":910.53434659,"Molecular Formula":"C54H74N2O10","Molecular Weight":911.2,"Monoisotopic Mass":910.53434659,Charge:0,"Easy Name":"Cephalostatin 1","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C54H74N2O10"},10328417:{PUBCHEM:{CID:"10328417","Compound Complexity":2140,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":5,"Rotatable Bond":0,InChI:"1S/C54H76N2O10/c1-26-44-39(64-52(26)14-12-45(3,4)66-52)24-51(50(44,9)61)30-11-10-28-16-34-36(22-47(28,6)31(30)19-41(51)59)56-35-17-29-18-38(57)43-32(48(29,7)23-37(35)55-34)20-40(58)49(8)33(43)21-42-54(49,62)27(2)53(65-42)15-13-46(5,60)25-63-53/h21,26-32,38-40,42-44,57-58,60-62H,10-20,22-25H2,1-9H3/t26-,27+,28-,29+,30+,31-,32-,38-,39-,40+,42-,43+,44-,46-,47-,48-,49+,50-,51-,52+,53+,54+/m0/s1",InChIKey:"FHCSEAYKGLTPDJ-XWGAFCMZSA-N","Log P":3.9,"Exact Mass":912.54999666,"Molecular Formula":"C54H76N2O10","Molecular Weight":913.2,"Monoisotopic Mass":912.54999666,Charge:0,"Easy Name":" (1''S, 2S, 2''R, 3'S, 3a'S, 3a''S, 4'S, 4b''R, 5'R, 5''S, 5'''S, 6a'S, 6a''R, 9a''S, 9b''S, 12a''R, 14a''S, 17a''S, 17b''S, 19''R, 19a''R, 19b''S)-4', 5'', 5''', 19'', 19b''-Pentahydroxy-1'', 3', 4', 5, 5, 5''', 9a'', 17a'', 19a''-no namethyl-3''', 3a', 3a'', 4, 4', 4''', 4b'', 5, 5'', 5''', 6', 6'', 6''', 6a', 6a'', 7'', 9'', 9a'', 9b'', 10'', 12a'', 13'', 14'', 14a'', 15'', 17'', 17a'', 17b'', 18'', 19'', 19a'', 19b''-dotriacontahydro-3H, 3'H-trispiro[furan-2, 2'-cyclopenta[b]furan-5', 12''-furo[3'', 2'':3","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C54H76N2O10"},10339178:{PUBCHEM:{CID:"10339178","Compound Complexity":153,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;cyclobutane-1,1-dicarboxylate;platinum(2+)","IUPAC Name CAS-like Style":"Ammonia;cyclobutane-1,1-dicarboxylate;platinum(2+)","IUPAC Name Markup":"Azane;cyclobutane-1,1-dicarboxylate;platinum(2+)","IUPAC Name Preferred":"Azane;cyclobutane-1,1-dicarboxylate;platinum(2+)","IUPAC Name Systematic":"Azane;cyclobutane-1,1-dicarboxylate;platinum(2+)","IUPAC Name Traditional":"Ammonia;cyclobutane-1,1-dicarboxylate;platinum(2+)",InChI:"1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2",InChIKey:"OLESAACUTLOWQZ-UHFFFAOYSA-L","Exact Mass":371.044501,"Molecular Formula":"C6H12N2O4Pt","Molecular Weight":371.25,"Monoisotopic Mass":371.044501,Charge:0,"Easy Name":"Carboplatin","Easy Category":"Pharmaceutical drug"},HSDB:{"Color And Form":{Value:"White crystals"},Solubility:{Value:"Sol in water"},Uses:{Value:"Used in chemotherapy to treat cancer."}},ReducedFormula:"C6H12N2O4Pt1"},10362969:{PUBCHEM:{CID:"10362969","Compound Complexity":633,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"2,10-bis(3-methylbut-2-enyl)-6H-benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name CAS-like Style":"2,10-bis(3-methylbut-2-enyl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol","IUPAC Name Markup":"2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Preferred":"2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Systematic":"2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Traditional":"2,10-bis(3-methylbut-2-enyl)-6H-benzofuro[3,2-c]chromene-3,9-diol",InChI:"1S/C25H26O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,26-27H,7-8,13H2,1-4H3",InChIKey:"VNTSSLCFFUCTNP-UHFFFAOYSA-N","Log P":6.7,"Exact Mass":390.18310932,"Molecular Formula":"C25H26O4","Molecular Weight":390.5,"Monoisotopic Mass":390.18310932,Charge:0,"Easy Name":"Erycristagallin","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C25H26O4"},10382701:{PUBCHEM:{CID:"10382701","Compound Complexity":475,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"1-naphthyl-(1-pentylindol-3-yl)methanone","IUPAC Name CAS-like Style":"1-naphthalenyl-(1-pentyl-3-indolyl)methanone","IUPAC Name Markup":"Naphthalen-1-yl-(1-pentylindol-3-yl)methanone","IUPAC Name Preferred":"Naphthalen-1-yl-(1-pentylindol-3-yl)methanone","IUPAC Name Systematic":"Naphthalen-1-yl-(1-pentylindol-3-yl)methanone","IUPAC Name Traditional":"(1-amylindol-3-yl)-(1-naphthyl)methanone",InChI:"1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3",InChIKey:"JDNLPKCAXICMBW-UHFFFAOYSA-N","Log P":6.3,"Exact Mass":341.17796437,"Molecular Formula":"C24H23NO","Molecular Weight":341.4,"Monoisotopic Mass":341.17796437,Charge:0,"Easy Name":"JWH-018","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Melting Point":{Value:"54-60 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 4.31X10-3 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"4.08X10-10 mm Hg at 25 °C (est)"}},ReducedFormula:"C24H23N1O1"},10391477:{PUBCHEM:{CID:"10391477","Compound Complexity":696,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":6,"Rotatable Bond":7,"IUPAC Name Allowed":"(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-6-methoxy-tetralin-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol","IUPAC Name CAS-like Style":"(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol","IUPAC Name Markup":"(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol","IUPAC Name Preferred":"(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol","IUPAC Name Systematic":"(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-3-(hydroxymethyl)-6-methoxy-1-(3-methoxy-4-oxidanyl-phenyl)-7-oxidanyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyl-oxane-3,4,5-triol","IUPAC Name Traditional":"(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-3-methylol-tetralin-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol",InChI:"1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1",InChIKey:"FPJFPMQEUVMUKU-CDDCGRQRSA-N","Log P":1,"Exact Mass":506.21519729,"Molecular Formula":"C26H34O10","Molecular Weight":506.5,"Monoisotopic Mass":506.21519729,Charge:0,"Easy Name":"Aviculin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C26H34O10"},10404245:{PUBCHEM:{CID:"10404245","Compound Complexity":388,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol","IUPAC Name CAS-like Style":"4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol","IUPAC Name Markup":"4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol","IUPAC Name Preferred":"4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol","IUPAC Name Systematic":"4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol","IUPAC Name Traditional":"4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol",InChI:"1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1",InChIKey:"QDDILOVMGWUNGD-UONOGXRCSA-N","Log P":5.2,"Exact Mass":328.16745925,"Molecular Formula":"C20H24O4","Molecular Weight":328.4,"Monoisotopic Mass":328.16745925,Charge:0,"Easy Name":"Macelignan","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H24O4"},10410005:{PUBCHEM:{CID:"10410005","Compound Complexity":694,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"(6aS,11aS)-9-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a-diol","IUPAC Name CAS-like Style":"(6aS,11aS)-9-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c][1]benzopyran-3,6a-diol","IUPAC Name Markup":"(6aS,11aS)-9-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol","IUPAC Name Preferred":"(6aS,11aS)-9-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol","IUPAC Name Systematic":"(6aS,11aS)-9-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol","IUPAC Name Traditional":"(6aS,11aS)-9-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a-diol",InChI:"1S/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s1",InChIKey:"OOAXWUFECWLVEQ-IZZNHLLZSA-N","Log P":5.4,"Exact Mass":422.20932407,"Molecular Formula":"C26H30O5","Molecular Weight":422.5,"Monoisotopic Mass":422.20932407,Charge:0,"Easy Name":"Erystagallin A","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C26H30O5"},10436340:{PUBCHEM:{CID:"10436340","Compound Complexity":734,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"N,N-dimethyl-N'-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-quinolin-1-ium-2-yl]-N'-propyl-propane-1,3-diamine","IUPAC Name CAS-like Style":"N,N-dimethyl-N'-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-2-quinolin-1-iumyl]-N'-propylpropane-1,3-diamine","IUPAC Name Markup":"N,N-dimethyl-N'-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]-N'-propylpropane-1,3-diamine","IUPAC Name Preferred":"N,N-dimethyl-N'-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]-N'-propylpropane-1,3-diamine","IUPAC Name Systematic":"N,N-dimethyl-N'-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-quinolin-1-ium-2-yl]-N'-propyl-propane-1,3-diamine","IUPAC Name Traditional":"Dimethyl-[3-[[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-quinolin-1-ium-2-yl]-propyl-amino]propyl]amine",InChI:"1S/C32H37N4S/c1-5-20-35(22-13-21-33(2)3)31-23-25(24-32-34(4)29-18-11-12-19-30(29)37-32)27-16-9-10-17-28(27)36(31)26-14-7-6-8-15-26/h6-12,14-19,23-24H,5,13,20-22H2,1-4H3/q+1",InChIKey:"CGNLCCVKSWNSDG-UHFFFAOYSA-N","Log P":8.2,"Exact Mass":509.27389339,"Molecular Formula":"C32H37N4S+","Molecular Weight":509.7,"Monoisotopic Mass":509.27389339,Charge:1,"Easy Name":"SYBR Green I","Easy Category":"Amine"},HSDB:{},ReducedFormula:"+1C32H37N4S1"},10441651:{PUBCHEM:{CID:"10441651","Compound Complexity":24.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;hydrogen sulfite","IUPAC Name CAS-like Style":"Ammonium;hydrogen sulfite","IUPAC Name Markup":"Azanium;hydrogen sulfite","IUPAC Name Preferred":"Azanium;hydrogen sulfite","IUPAC Name Systematic":"Azanium;hydrogen sulfite","IUPAC Name Traditional":"Ammonium;bisulfite",InChI:"1S/H3N.H2O3S/c;1-4(2)3/h1H3;(H2,1,2,3)",InChIKey:"ZETCGWYACBNPIH-UHFFFAOYSA-N","Exact Mass":98.9990142,"Molecular Formula":"H5NO3S","Molecular Weight":99.11,"Monoisotopic Mass":98.9990142,Charge:0,"Easy Name":"Ammonium bisulfite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless crystals"},Density:{Value:"Sp gr: 2.03"},Solubility:{Value:"In water: 267 g/100 ml @ 10 °C, 620 G/100 ml @ 60 °C"},Uses:{Value:"SOURCE OF SULFUR IN FLUID FERTILIZERS."}},ReducedFormula:"H5N1O3S1"},10459879:{PUBCHEM:{CID:"10459879","Compound Complexity":977,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":6,"Rotatable Bond":3,"IUPAC Name Allowed":"(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name CAS-like Style":"(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name Markup":"(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name Preferred":"(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid","IUPAC Name Systematic":"(9S)-9-[(9R)-2-carboxy-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracene-2-carboxylic acid","IUPAC Name Traditional":"(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-keto-9H-anthracen-9-yl]-4,5-dihydroxy-10-keto-9H-anthracene-2-carboxylic acid",InChI:"1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+",InChIKey:"JPMRHWLJLNKRTJ-SZPZYZBQSA-N","Log P":4.8,"Exact Mass":538.08999678,"Molecular Formula":"C30H18O10","Molecular Weight":538.5,"Monoisotopic Mass":538.08999678,Charge:0,"Easy Name":"Sennidin B","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C30H18O10"},10865808:{PUBCHEM:{CID:"10865808","Compound Complexity":1720,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"2-[[(1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,24Z,27R,29S,33R,35S,37R,39R,41S,42S,44R,46S,48R,49Z)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enal","IUPAC Name CAS-like Style":"2-[[(1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,24Z,27R,29S,33R,35S,37R,39R,41S,42S,44R,46S,48R,49Z)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]-2-propenal","IUPAC Name Markup":"2-[[(1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,24Z,27R,29S,33R,35S,37R,39R,41S,42S,44R,46S,48R,49Z)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enal","IUPAC Name Preferred":"2-[[(1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,24Z,27R,29S,33R,35S,37R,39R,41S,42S,44R,46S,48R,49Z)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enal","IUPAC Name Systematic":"2-[[(1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,24Z,27R,29S,33R,35S,37R,39R,41S,42S,44R,46S,48R,49Z)-4,8,10,46-tetramethyl-41-oxidanyl-14-oxidanylidene-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enal","IUPAC Name Traditional":"2-[[(1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,24Z,27R,29S,33R,35S,37R,39R,41S,42S,44R,46S,48R,49Z)-41-hydroxy-14-keto-4,8,10,46-tetramethyl-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]acrolein",InChI:"1S/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-13,15-24H2,1,3-5H3/b7-6-,14-8-/t26-,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+,46-,47+,48-,49+/m1/s1",InChIKey:"MGVIMUPHKPHTKF-HQUFVKSZSA-N","Log P":5.3,"Exact Mass":866.48164231,"Molecular Formula":"C49H70O13","Molecular Weight":867.1,"Monoisotopic Mass":866.48164231,Charge:0,"Easy Name":"Brevetoxin A","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C49H70O13"},10865865:{PUBCHEM:{CID:"10865865","Compound Complexity":1940,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enal","IUPAC Name CAS-like Style":"2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]-2-propenal","IUPAC Name Markup":"2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enal","IUPAC Name Preferred":"2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enal","IUPAC Name Systematic":"2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-1,3,11,24,31,41,44-heptamethyl-12-oxidanyl-39-oxidanylidene-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enal","IUPAC Name Traditional":"2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-39-keto-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]acrolein",InChI:"1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1",InChIKey:"LYTCVQQGCSNFJU-FGRVLNGBSA-N","Log P":3.7,"Exact Mass":894.47655693,"Molecular Formula":"C50H70O14","Molecular Weight":895.1,"Monoisotopic Mass":894.47655693,Charge:0,"Easy Name":"Brevetoxin B","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C50H70O14"},10866624:{PUBCHEM:{CID:"10866624","Compound Complexity":64.2,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxotitanium(2+);sulfate","IUPAC Name CAS-like Style":"Oxotitanium(2+);sulfate","IUPAC Name Markup":"Oxotitanium(2+);sulfate","IUPAC Name Preferred":"Oxotitanium(2+);sulfate","IUPAC Name Systematic":"Oxidanylidenetitanium(2+);sulfate","IUPAC Name Traditional":"Ketotitanium(2+);sulfate",InChI:"1S/H2O4S.O.Ti/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2",InChIKey:"KADRTWZQWGIUGO-UHFFFAOYSA-L","Exact Mass":159.894585,"Molecular Formula":"O5STi","Molecular Weight":159.93,"Monoisotopic Mass":159.894585,Charge:0,"Easy Name":"Titanium (IV) Oxysulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O5S1Ti1"},10892861:{PUBCHEM:{CID:"10892861","Compound Complexity":10,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Carbon monoxide;osmium","IUPAC Name CAS-like Style":"Carbon monoxide;osmium","IUPAC Name Markup":"Carbon monoxide;osmium","IUPAC Name Preferred":"Carbon monoxide;osmium","IUPAC Name Systematic":"Carbon monoxide;osmium","IUPAC Name Traditional":"Carbon monoxide;osmium",InChI:"1S/5CO.Os/c5*1-2;",InChIKey:"RLUHVGZGDXPTEM-UHFFFAOYSA-N","Exact Mass":331.93605,"Molecular Formula":"C5O5Os","Molecular Weight":330.3,"Monoisotopic Mass":331.93605,Charge:0,"Easy Name":"Osmium Pentacarbonyl","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C5O5Os1"},10898650:{PUBCHEM:{CID:"10898650","Compound Complexity":46.3,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;methanidylbenzene","IUPAC Name CAS-like Style":"Lithium;methanidylbenzene","IUPAC Name Markup":"Lithium;methanidylbenzene","IUPAC Name Preferred":"Lithium;methanidylbenzene","IUPAC Name Systematic":"Lithium;methanidylbenzene","IUPAC Name Traditional":"Lithium;methanidylbenzene",InChI:"1S/C7H7.Li/c1-7-5-3-2-4-6-7;/h2-6H,1H2;/q-1;+1",InChIKey:"YNXURHRFIMQACJ-UHFFFAOYSA-N","Exact Mass":98.07077866,"Molecular Formula":"C7H7Li","Molecular Weight":98.1,"Monoisotopic Mass":98.07077866,Charge:0,"Easy Name":"Benzyllithium","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C7H7Li1"},10901658:{PUBCHEM:{CID:"10901658","Compound Complexity":208,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":1,InChI:"1S/2Na.H2O6S4/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",InChIKey:"TYSODIVRTHAMGD-UHFFFAOYSA-L","Exact Mass":269.83731098,"Molecular Formula":"Na2O6S4","Molecular Weight":270.2,"Monoisotopic Mass":269.83731098,Charge:0,"Easy Name":"Sodium tetrathionate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2O6S4"},10927841:{PUBCHEM:{CID:"10927841","Compound Complexity":19.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrabromomolybdenum","IUPAC Name CAS-like Style":"Tetrabromomolybdenum","IUPAC Name Markup":"Tetrabromomolybdenum","IUPAC Name Preferred":"Tetrabromomolybdenum","IUPAC Name Systematic":"Tetrakis(bromanyl)molybdenum","IUPAC Name Traditional":"Tetrabromomolybdenum",InChI:"1S/4BrH.Mo/h4*1H;/q;;;;+4/p-4",InChIKey:"WWJBJTBTXOHQAZ-UHFFFAOYSA-J","Exact Mass":417.57466,"Molecular Formula":"Br4Mo","Molecular Weight":415.6,"Monoisotopic Mass":413.57875,Charge:0,"Easy Name":"Molybdenum tetrabromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br4Mo1"},10932564:{PUBCHEM:{CID:"10932564","Compound Complexity":6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(sodiodiselanyl)sodium","IUPAC Name CAS-like Style":"(sodiodiselanyl)sodium","IUPAC Name Markup":"(sodiodiselanyl)sodium","IUPAC Name Preferred":"(sodiodiselanyl)sodium","IUPAC Name Systematic":"(sodiodiselanyl)sodium","IUPAC Name Traditional":"(sodiodiselanyl)sodium",InChI:"1S/2Na.Se2/c;;1-2/q2*+1;-2",InChIKey:"MQUNPMBEKMVOHA-UHFFFAOYSA-N","Exact Mass":205.81258,"Molecular Formula":"Na2Se2","Molecular Weight":203.9,"Monoisotopic Mass":205.81258,Charge:0,"Easy Name":"Disodium diselanediide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2Se2"},10937610:{PUBCHEM:{CID:"10937610","Compound Complexity":528,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate","IUPAC Name CAS-like Style":"1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylic acid diethyl ester","IUPAC Name Markup":"Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate","IUPAC Name Preferred":"Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate","IUPAC Name Systematic":"Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate","IUPAC Name Traditional":"1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid diethyl ester",InChI:"1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3",InChIKey:"OPGCOAPTHCZZIW-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":372.0643625,"Molecular Formula":"C16H18Cl2N2O4","Molecular Weight":373.2,"Monoisotopic Mass":372.0643625,Charge:0,"Easy Name":"Mefenpyr-diethyl","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C16Cl2H18N2O4"},10938769:{PUBCHEM:{CID:"10938769","Compound Complexity":622,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"(2-methyl-3-phenyl-phenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate","IUPAC Name CAS-like Style":"(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (2-methyl-3-phenylphenyl)methyl ester","IUPAC Name Markup":"(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Preferred":"(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Systematic":"(2-methyl-3-phenyl-phenyl)methyl (1S,3S)-3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate","IUPAC Name Traditional":"(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid (2-methyl-3-phenyl-benzyl) ester",InChI:"1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m1/s1",InChIKey:"OMFRMAHOUUJSGP-JHEGMOCKSA-N","Log P":6,"Exact Mass":422.1260421,"Molecular Formula":"C23H22ClF3O2","Molecular Weight":422.9,"Monoisotopic Mass":422.1260421,Charge:0,"Easy Name":"Bifenthrin","Easy Category":"Insecticide"},HSDB:{"Color And Form":{Value:"Light brown viscous oil"},"Melting Point":{Value:"69 °C"},Odor:{Value:"Very faint, slightly sweet odor"},Solubility:{Value:"In water, <1.0 ug/L /<1.0X10-3 mg/L/ at 20 °C"},Uses:{Value:"For bifenthrin (USEPA/OPP Pesticide Code: 128825) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.78X10-3 mPa at 20 °C /1.335X10-8 mm Hg/"}},ReducedFormula:"C23Cl1F3H22O2"},10942334:{PUBCHEM:{CID:"10942334","Compound Complexity":4.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;methanolate","IUPAC Name CAS-like Style":"Sodium;methanolate","IUPAC Name Markup":"Sodium;methanolate","IUPAC Name Preferred":"Sodium;methanolate","IUPAC Name Systematic":"Sodium;methanolate","IUPAC Name Traditional":"Sodium;methanolate",InChI:"1S/CH3O.Na/c1-2;/h1H3;/q-1;+1",InChIKey:"WQDUMFSSJAZKTM-UHFFFAOYSA-N","Exact Mass":54.008159,"Molecular Formula":"CH3NaO","Molecular Weight":54.024,"Monoisotopic Mass":54.008159,Charge:0,"Easy Name":"Sodium methoxide","Easy Category":"Alkoxide"},HSDB:{"Color And Form":{Value:"Amorphous, free flowing powder"},Solubility:{Value:"Soluble in ethanol, methanol"},Uses:{Value:"Alkaline catalyst used in the production of biodiesel grade methyl esters."}},ReducedFormula:"C1H3Na1O1"},10948757:{PUBCHEM:{CID:"10948757","Compound Complexity":499,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":6,"IUPAC Name Allowed":"(3R,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxy-phenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one","IUPAC Name CAS-like Style":"(3R,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone","IUPAC Name Markup":"(3R,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one","IUPAC Name Preferred":"(3R,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one","IUPAC Name Systematic":"(3R,4R)-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-[(S)-(3-methoxy-4-oxidanyl-phenyl)-oxidanyl-methyl]oxolan-2-one","IUPAC Name Traditional":"(3R,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxy-phenyl)methyl]-3-vanillyl-tetrahydrofuran-2-one",InChI:"1S/C20H22O7/c1-25-17-8-11(3-5-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-16(22)18(9-12)26-2/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1",InChIKey:"UKHWOLNMBQSCLJ-BIENJYKASA-N","Log P":2.1,"Exact Mass":374.13655305,"Molecular Formula":"C20H22O7","Molecular Weight":374.4,"Monoisotopic Mass":374.13655305,Charge:0,"Easy Name":"Hydroxymatairesinol","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C20H22O7"},10953689:{PUBCHEM:{CID:"10953689","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R,4R,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3R,4R,5R)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5+/m1/s1",InChIKey:"HMFHBZSHGGEWLO-LECHCGJUSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-D-Xylofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},10963591:{PUBCHEM:{CID:"10963591","Compound Complexity":2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond 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Name Allowed":"Magnesium;ethane;iodide","IUPAC Name CAS-like Style":"Magnesium;ethane;iodide","IUPAC Name Markup":"Magnesium;ethane;iodide","IUPAC Name Preferred":"Magnesium;ethane;iodide","IUPAC Name Systematic":"Magnesium;ethane;iodide","IUPAC Name Traditional":"Magnesium;ethane;iodide",InChI:"1S/C2H5.HI.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1",InChIKey:"STAZWYIIWZTYKT-UHFFFAOYSA-M","Exact Mass":179.92864,"Molecular Formula":"C2H5IMg","Molecular Weight":180.27,"Monoisotopic Mass":179.92864,Charge:0,"Easy Name":"Ethyl (iodo)magnesium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C2H5I1Mg1"},11019448:{PUBCHEM:{CID:"11019448","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3R,4R,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4-,5+,6-/m1/s1",InChIKey:"AVVWPBAENSWJCB-DGPNFKTASA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Galactofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},11049163:{PUBCHEM:{CID:"11049163","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;hexachloroiridium(2-)","IUPAC Name CAS-like Style":"Dipotassium;hexachloroiridium(2-)","IUPAC Name Markup":"Dipotassium;hexachloroiridium(2-)","IUPAC Name Preferred":"Dipotassium;hexachloroiridium(2-)","IUPAC Name Systematic":"Dipotassium;hexakis(chloranyl)iridium(2-)","IUPAC Name Traditional":"Dipotassium;hexachloroiridium(2-)",InChI:"1S/6ClH.Ir.2K/h6*1H;;;/q;;;;;;+4;2*+1/p-6",InChIKey:"WEKZJZDULNNSCD-UHFFFAOYSA-H","Exact Mass":482.7005,"Molecular Formula":"Cl6IrK2","Molecular Weight":483.1,"Monoisotopic Mass":480.70345,Charge:0,"Easy Name":"Dipotassium hexachloroiridate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6Ir1K2"},11051676:{PUBCHEM:{CID:"11051676","Compound Complexity":151,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"5-oxotetrahydrofuran-3-carboxylic acid","IUPAC Name CAS-like Style":"5-oxo-3-oxolanecarboxylic acid","IUPAC Name Markup":"5-oxooxolane-3-carboxylic acid","IUPAC Name Preferred":"5-oxooxolane-3-carboxylic acid","IUPAC Name Systematic":"5-oxidanylideneoxolane-3-carboxylic acid","IUPAC Name Traditional":"5-ketotetrahydrofuran-3-carboxylic acid",InChI:"1S/C5H6O4/c6-4-1-3(2-9-4)5(7)8/h3H,1-2H2,(H,7,8)",InChIKey:"ONSWFYLALGXCIQ-UHFFFAOYSA-N","Log P":-.6,"Exact Mass":130.026608672,"Molecular Formula":"C5H6O4","Molecular Weight":130.1,"Monoisotopic Mass":130.026608672,Charge:0,"Easy Name":"Paraconic Acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C5H6O4"},11057771:{PUBCHEM:{CID:"11057771","Compound Complexity":359,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"6-iodo-2-propoxy-3-propyl-quinazolin-4-one","IUPAC Name CAS-like Style":"6-iodo-2-propoxy-3-propyl-4-quinazolinone","IUPAC Name Markup":"6-iodo-2-propoxy-3-propylquinazolin-4-one","IUPAC Name Preferred":"6-iodo-2-propoxy-3-propylquinazolin-4-one","IUPAC Name Systematic":"6-iodanyl-2-propoxy-3-propyl-quinazolin-4-one","IUPAC Name Traditional":"6-iodo-2-propoxy-3-propyl-quinazolin-4-one",InChI:"1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3",InChIKey:"FLVBXVXXXMLMOX-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":372.03347,"Molecular Formula":"C14H17IN2O2","Molecular Weight":372.2,"Monoisotopic Mass":372.03347,Charge:0,"Easy Name":"Proquinazid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C14H17I1N2O2"},11061658:{PUBCHEM:{CID:"11061658","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodoiron","IUPAC Name CAS-like Style":"Triiodoiron","IUPAC Name Markup":"Triiodoiron","IUPAC Name Preferred":"Triiodoiron","IUPAC Name Systematic":"Tris(iodanyl)iron","IUPAC Name Traditional":"Triiodoiron",InChI:"1S/Fe.3HI/h;3*1H/q+3;;;/p-3",InChIKey:"HEJPGFRXUXOTGM-UHFFFAOYSA-K","Exact Mass":436.6484,"Molecular Formula":"FeI3","Molecular Weight":436.56,"Monoisotopic Mass":436.6484,Charge:0,"Easy Name":"Iron (III) iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1I3"},11062317:{PUBCHEM:{CID:"11062317","Compound Complexity":91.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Propa-1,2-diene-1,3-dithione","IUPAC Name CAS-like Style":"Propa-1,2-diene-1,3-dithione","IUPAC Name Markup":"Propa-1,2-diene-1,3-dithione","IUPAC Name Preferred":"Propa-1,2-diene-1,3-dithione","IUPAC Name Systematic":"Propa-1,2-diene-1,3-dithione","IUPAC Name Traditional":"Propa-1,2-diene-1,3-dithione",InChI:"1S/C3S2/c4-2-1-3-5",InChIKey:"RMCQREAPGZPWGK-UHFFFAOYSA-N","Log P":1.3,"Exact Mass":99.94414235,"Molecular Formula":"C3S2","Molecular Weight":100.17,"Monoisotopic Mass":99.94414235,Charge:0,"Easy Name":"Carbon subsulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"C3S2"},11064502:{PUBCHEM:{CID:"11064502","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;hexafluorotitanium(2-)","IUPAC Name CAS-like Style":"Dipotassium;hexafluorotitanium(2-)","IUPAC Name Markup":"Dipotassium;hexafluorotitanium(2-)","IUPAC Name Preferred":"Dipotassium;hexafluorotitanium(2-)","IUPAC Name Systematic":"Dipotassium;hexakis(fluoranyl)titanium(2-)","IUPAC Name Traditional":"Dipotassium;hexafluorotitanium(2-)",InChI:"1S/6FH.2K.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6",InChIKey:"RXCBCUJUGULOGC-UHFFFAOYSA-H","Exact Mass":239.865773,"Molecular Formula":"F6K2Ti","Molecular Weight":240.05,"Monoisotopic Mass":239.865773,Charge:0,"Easy Name":"Potassium hexafluorotitanate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F6K2Ti1"},11064683:{PUBCHEM:{CID:"11064683","Compound Complexity":234,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Ferrous;2-(carboxymethyl)-2-hydroxy-butanedioate","IUPAC Name CAS-like Style":"2-(carboxymethyl)-2-hydroxybutanedioate;iron(2+)","IUPAC Name Markup":"2-(carboxymethyl)-2-hydroxybutanedioate;iron(2+)","IUPAC Name Preferred":"2-(carboxymethyl)-2-hydroxybutanedioate;iron(2+)","IUPAC Name Systematic":"2-(2-hydroxy-2-oxoethyl)-2-oxidanyl-butanedioate;iron(2+)","IUPAC Name Traditional":"Ferrous;2-(carboxymethyl)-2-hydroxy-succinate",InChI:"1S/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2",InChIKey:"APVZWAOKZPNDNR-UHFFFAOYSA-L","Exact Mass":245.946288,"Molecular Formula":"C6H6FeO7","Molecular Weight":245.95,"Monoisotopic Mass":245.946288,Charge:0,"Easy Name":"Iron (II) citrate","Easy Category":"Organic salt"},HSDB:{Uses:{Value:"MEDICATION"}},ReducedFormula:"C6Fe1H6O7"},11073463:{PUBCHEM:{CID:"11073463","Compound Complexity":37.4,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitronium;tetrafluoroborate","IUPAC Name CAS-like Style":"Nitronium;tetrafluoroborate","IUPAC Name Markup":"Nitronium;tetrafluoroborate","IUPAC Name Preferred":"Nitronium;tetrafluoroborate","IUPAC Name Systematic":"Nitronium;tetrafluoroborate","IUPAC Name Traditional":"Nitronium;tetrafluoroborate",InChI:"1S/BF4.NO2/c2-1(3,4)5;2-1-3/q-1;+1",InChIKey:"RGVZMPONLYFINH-UHFFFAOYSA-N","Exact Mass":132.9958211,"Molecular Formula":"BF4NO2","Molecular Weight":132.81,"Monoisotopic Mass":132.9958211,Charge:0,"Easy Name":"Dioxoammonium tetrafluoroborate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"B1F4N1O2"},11074431:{PUBCHEM:{CID:"11074431","Compound Complexity":288,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;6-methyl-2,2-dioxo-1-oxa-2lambda6-thia-3-azanidacyclohex-5-en-4-one","IUPAC Name CAS-like Style":"Potassium;6-methyl-2,2-dioxo-1-oxa-2lambda6-thia-3-azanidacyclohex-5-en-4-one","IUPAC Name Markup":"Potassium;6-methyl-2,2-dioxo-1-oxa-2λ6-thia-3-azanidacyclohex-5-en-4-one","IUPAC Name Preferred":"Potassium;6-methyl-2,2-dioxo-1-oxa-2lambda6-thia-3-azanidacyclohex-5-en-4-one","IUPAC Name Systematic":"Potassium;6-methyl-2,2-bis(oxidanylidene)-1-oxa-2lambda6-thia-3-azanidacyclohex-5-en-4-one","IUPAC Name Traditional":"Potassium;2,2-diketo-6-methyl-1-oxa-2lambda6-thia-3-azanidacyclohex-5-en-4-one",InChI:"1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1",InChIKey:"WBZFUFAFFUEMEI-UHFFFAOYSA-M","Exact Mass":200.94981027,"Molecular Formula":"C4H4KNO4S","Molecular Weight":201.24,"Monoisotopic Mass":200.94981027,Charge:0,"Easy Name":"Acesulfame potassium","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C4H4K1N1O4S1"},11074693:{PUBCHEM:{CID:"11074693","Compound Complexity":2.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibromochromium","IUPAC Name CAS-like Style":"Dibromochromium","IUPAC Name Markup":"Dibromochromium","IUPAC Name Preferred":"Dibromochromium","IUPAC Name Systematic":"Bis(bromanyl)chromium","IUPAC Name Traditional":"Dibromochromium",InChI:"1S/2BrH.Cr/h2*1H;/q;;+2/p-2",InChIKey:"XZQOHYZUWTWZBL-UHFFFAOYSA-L","Exact Mass":211.77513,"Molecular Formula":"Br2Cr","Molecular Weight":211.8,"Monoisotopic Mass":209.77718,Charge:0,"Easy Name":"Chromium (II) bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br2Cr1"},11075786:{PUBCHEM:{CID:"11075786","Compound Complexity":90.7,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;fluoro sulfate","IUPAC Name CAS-like Style":"Cesium;fluoro sulfate","IUPAC Name Markup":"Cesium;fluoro sulfate","IUPAC Name Preferred":"Cesium;fluoro sulfate","IUPAC Name Systematic":"Cesium;fluoranyl sulfate","IUPAC Name Traditional":"Cesium;fluoro sulfate",InChI:"1S/Cs.FHO4S/c;1-5-6(2,3)4/h;(H,2,3,4)/q+1;/p-1",InChIKey:"ISLBSUZRYCRXSH-UHFFFAOYSA-M","Exact Mass":247.85558478,"Molecular Formula":"CsFO4S","Molecular Weight":247.97,"Monoisotopic Mass":247.85558478,Charge:0,"Easy Name":"Cesium fluoroxysulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs1F1O4S1"},11083833:{PUBCHEM:{CID:"11083833","Compound Complexity":102,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Hex-2-ynal","IUPAC Name CAS-like Style":"2-hexynal","IUPAC Name Markup":"Hex-2-ynal","IUPAC Name Preferred":"Hex-2-ynal","IUPAC Name Systematic":"Hex-2-ynal","IUPAC Name Traditional":"Hex-2-ynal",InChI:"1S/C6H8O/c1-2-3-4-5-6-7/h6H,2-3H2,1H3",InChIKey:"IUPHFACLDYMBNL-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":96.057514878,"Molecular Formula":"C6H8O","Molecular Weight":96.13,"Monoisotopic Mass":96.057514878,Charge:0,"Easy Name":"Hex-2-ynal","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C6H8O1"},11089628:{PUBCHEM:{CID:"11089628","Compound Complexity":95.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;oxido(trioxo)rhenium","IUPAC Name CAS-like Style":"Silver;oxido(trioxo)rhenium","IUPAC Name Markup":"Silver;oxido(trioxo)rhenium","IUPAC Name Preferred":"Silver;oxido(trioxo)rhenium","IUPAC Name Systematic":"Silver;oxidanidyl-tris(oxidanylidene)rhenium","IUPAC Name Traditional":"Silver;triketo(oxido)rhenium",InChI:"1S/Ag.4O.Re/q+1;;;;-1;",InChIKey:"JRISYOCHUNKJAV-UHFFFAOYSA-N","Exact Mass":357.8405,"Molecular Formula":"AgO4Re","Molecular Weight":358.07,"Monoisotopic Mass":357.8405,Charge:0,"Easy Name":"Silver perrhenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag1O4Re1"},11093875:{PUBCHEM:{CID:"11093875","Compound Complexity":1550,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":4,"Rotatable Bond":11,"IUPAC Name Allowed":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetoxy-10a-(acetoxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetoxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name CAS-like Style":"Acetic acid [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl ester","IUPAC Name Markup":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name Preferred":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate","IUPAC Name Systematic":"[(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-6-methyl-1,9-bis(oxidanyl)-8-oxidanylidene-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-3-methyl-8,9-bis(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthen-4a-yl]methyl ethanoate","IUPAC Name Traditional":"Acetic acid [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetoxy-10a-(acetoxymethyl)-1,9-dihydroxy-8-keto-6-methyl-6,7-dihydro-5H-xanthen-2-yl]-4-acetoxy-8,9-dihydroxy-1-keto-3-methyl-3,4-dihydro-2H-xanthen-4a-yl]methyl ester",InChI:"1S/C38H38O16/c1-15-11-23(43)29-33(47)27-25(53-37(29,13-49-17(3)39)35(15)51-19(5)41)9-7-21(31(27)45)22-8-10-26-28(32(22)46)34(48)30-24(44)12-16(2)36(52-20(6)42)38(30,54-26)14-50-18(4)40/h7-10,15-16,35-36,45-48H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1",InChIKey:"KYQPTDIMYDSMHS-ACMZUNAXSA-N","Log P":2.7,"Exact Mass":750.21598514,"Molecular Formula":"C38H38O16","Molecular Weight":750.7,"Monoisotopic Mass":750.21598514,Charge:0,"Easy Name":"Dicerandrol C","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C38H38O16"},11094547:{PUBCHEM:{CID:"11094547","Compound Complexity":64.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"(Z)-hex-4-enal","IUPAC Name CAS-like Style":"(Z)-4-hexenal","IUPAC Name Markup":"(Z)-hex-4-enal","IUPAC Name Preferred":"(Z)-hex-4-enal","IUPAC Name Systematic":"(Z)-hex-4-enal","IUPAC Name Traditional":"(Z)-hex-4-enal",InChI:"1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2-",InChIKey:"DPCMFIRORYQTCL-IHWYPQMZSA-N","Log P":1,"Exact Mass":98.073164942,"Molecular Formula":"C6H10O","Molecular Weight":98.14,"Monoisotopic Mass":98.073164942,Charge:0,"Easy Name":"Cis-4-Hexenal","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C6H10O1"},11099499:{PUBCHEM:{CID:"11099499","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxo(oxoceriooxy)cerium","IUPAC Name CAS-like Style":"Oxo(oxoceriooxy)cerium","IUPAC Name Markup":"Oxo(oxoceriooxy)cerium","IUPAC Name Preferred":"Oxo(oxoceriooxy)cerium","IUPAC Name Systematic":"Oxidanylidene(oxidanylideneceriooxy)cerium","IUPAC Name Traditional":"Keto(ketoceriooxy)cerium",InChI:"1S/2Ce.3O",InChIKey:"BMMGVYCKOGBVEV-UHFFFAOYSA-N","Exact Mass":327.79564,"Molecular Formula":"Ce2O3","Molecular Weight":328.23,"Monoisotopic Mass":327.79564,Charge:0,"Easy Name":"Cerium (III) oxide","Easy Category":"Oxide"},HSDB:{"Boiling Point":{Value:"3730 °C"},"Color And Form":{Value:"Yellow-green, cubic crystals"},Density:{Value:"6.2 g/cu cm"},"Melting Point":{Value:"2210 °C"},Solubility:{Value:"Insoluble in water; soluble in acid"},Uses:{Value:"... may be added to the support surface for improved performance of automotive catalytic convertors ..."}},ReducedFormula:"Ce2O3"},11105289:{PUBCHEM:{CID:"11105289","Compound Complexity":5250,"Hydrogen Bond Acceptor":55,"Hydrogen Bond Donor":45,"Rotatable Bond":80,"IUPAC Name Allowed":"(E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxy-pent-1-enyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylene-henicosa-3,5,12-trienyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-2,3-dihydroxy-butyl]-4,5-dihydroxy-tetrahydropyran-2-yl]-2,6,9,10-tetrahydroxy-3-methyl-dec-4-enyl]-3,4,5,6-tetrahydroxy-tetrahydropyran-2-yl]-8-hydroxy-nonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyl-dodecyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-2,5,8,9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-oxo-prop-1-enyl]-3,7-dimethyl-dec-6-enamide","IUPAC Name CAS-like Style":"(E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxy-2-oxolanyl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxy-2-oxanyl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methyleneheneicosa-3,5,12-trienyl]-3,4,5-trihydroxy-2-oxanyl]-2,3-dihydroxybutyl]-4,5-dihydroxy-2-oxanyl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxy-2-oxanyl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxy-2-oxanyl]-2,5,8,9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]-3,7-dimethyl-6-decenamide","IUPAC Name Markup":"(E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]-3,7-dimethyldec-6-enamide","IUPAC Name Preferred":"(E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]-3,7-dimethyldec-6-enamide","IUPAC Name Systematic":"(E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-oxidanyl-oxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-bis(oxidanyl)pent-1-enyl]-3,4,5-tris(oxidanyl)oxan-2-yl]-20-methyl-14-methylidene-2,8,9,10,17,18,19-heptakis(oxidanyl)henicosa-3,5,12-trienyl]-3,4,5-tris(oxidanyl)oxan-2-yl]-2,3-bis(oxidanyl)butyl]-4,5-bis(oxidanyl)oxan-2-yl]-3-methyl-2,6,9,10-tetrakis(oxidanyl)dec-4-enyl]-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]-8-oxidanyl-nonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-11-methyl-1,2,3,4,5-pentakis(oxidanyl)dodecyl]-3,4,5-tris(oxidanyl)oxan-2-yl]-3,7-dimethyl-2,5,8,9-tetrakis(oxidanyl)-N-[(E)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-enyl]dec-6-enamide","IUPAC Name Traditional":"(E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z)-14-[(3S,4R,5R,6R)-7-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxy-pent-1-enyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-3,4,5-trihydroxy-6-methyl-heptyl]-2,8,9,10-tetrahydroxy-pentadeca-3,5,12,14-tetraenyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-2,3-dihydroxy-butyl]-4,5-dihydroxy-tetrahydropyran-2-yl]-2,6,9,10-tetrahydroxy-3-methyl-dec-4-enyl]-3,4,5,6-tetrahydroxy-tetrahydropyran-2-yl]-8-hydroxy-nonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyl-dodecyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-2,5,8,9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-keto-prop-1-enyl]-3,7-dimethyl-dec-6-enamide",InChI:"1S/C129H223N3O54/c1-62(29-33-81(143)108(158)103(153)68(7)47-93-111(161)117(167)110(160)91(180-93)36-35-76(138)82(144)51-73-50-74-53-92(178-73)90(177-74)38-37-89-85(147)52-75(61-130)179-89)23-20-28-78(140)105(155)77(139)26-18-13-16-25-70(135)48-94-112(162)118(168)113(163)97(181-94)55-84(146)83(145)54-95-107(157)87(149)57-96(182-95)106(156)80(142)34-32-69(134)31-30-65(4)88(150)60-129(176)125(174)123(173)115(165)99(184-129)49-71(136)24-15-10-9-11-19-40-128-59-64(3)58-127(8,186-128)100(185-128)44-63(2)22-14-12-17-27-79(141)109(159)116(166)120(170)122(172)124-121(171)119(169)114(164)98(183-124)56-86(148)102(152)66(5)45-72(137)46-67(6)104(154)126(175)132-42-39-101(151)131-41-21-43-133/h13,16,18,20,23,25,30-31,35-36,39,42,45,63-65,67-100,102-125,133-150,152-174,176H,1,9-12,14-15,17,19,21-22,24,26-29,32-34,37-38,40-41,43-44,46-61,130H2,2-8H3,(H,131,151)(H,132,175)/b18-13+,23-20-,25-16-,31-30+,36-35-,42-39+,66-45+/t63-,64-,65-,67+,68+,69+,70+,71-,72-,73-,74+,75-,76+,77+,78+,79+,80+,81-,82+,83+,84+,85+,86-,87+,88-,89+,90+,91+,92-,93+,94-,95+,96-,97+,98+,99+,100+,102+,103+,104-,105-,106+,107-,108+,109-,110+,111-,112-,113+,114-,115-,116-,117-,118+,119+,120+,121-,122-,123+,124-,125+,127+,128-,129-/m0/s1",InChIKey:"CWODDUGJZSCNGB-HQNRRURTSA-N","Log P":-6.6,"Exact Mass":2679.4829485,"Molecular Formula":"C129H223N3O54","Molecular Weight":2680.1,"Monoisotopic Mass":2678.4795937,Charge:0,"Easy Name":"Palytoxin","Easy Category":"Heterocyclic compound"},HSDB:{"Color And Form":{Value:"Non-crystalline /solid/"},Solubility:{Value:"Water soluble substance"}},ReducedFormula:"C129H223N3O54"},11105942:{PUBCHEM:{CID:"11105942","Compound Complexity":162,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4S,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1",InChIKey:"RFSUNEUAIZKAJO-ZXXMMSQZSA-N","Log P":-2.3,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Alpha-D-fructofuranose","Easy Category":"Ketohexoses"},HSDB:{},ReducedFormula:"C6H12O6"},11107286:{PUBCHEM:{CID:"11107286","Compound Complexity":343,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde","IUPAC Name CAS-like Style":"2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde","IUPAC Name Markup":"2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde","IUPAC Name Preferred":"2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde","IUPAC Name Systematic":"2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethanal","IUPAC Name Traditional":"2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde",InChI:"1S/C16H26O/c1-12-6-5-7-14-15(12,3)9-8-13(2)16(14,4)10-11-17/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15+,16+/m1/s1",InChIKey:"MPWIIQYWQOBNKS-UGUYLWEFSA-N","Log P":4.2,"Exact Mass":234.19836546,"Molecular Formula":"C16H26O","Molecular Weight":234.38,"Monoisotopic Mass":234.19836546,Charge:0,"Easy Name":"Callicarpenal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C16H26O1"},11124994:{PUBCHEM:{CID:"11124994","Compound Complexity":801,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":25,"IUPAC Name Allowed":"(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]tridecyl]-2-methyl-2H-furan-5-one","IUPAC Name CAS-like Style":"(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]-2-oxolanyl]-2-oxolanyl]tridecyl]-2-methyl-2H-furan-5-one","IUPAC Name Markup":"(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one","IUPAC Name Preferred":"(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one","IUPAC Name Systematic":"(2S)-4-[(2R,13R)-2,13-bis(oxidanyl)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one","IUPAC Name Traditional":"(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]tridecyl]-2-methyl-2H-furan-5-one",InChI:"1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1",InChIKey:"MBABCNBNDNGODA-LUVUIASKSA-N","Log P":9.7,"Exact Mass":622.48085447,"Molecular Formula":"C37H66O7","Molecular Weight":622.9,"Monoisotopic Mass":622.48085447,Charge:0,"Easy Name":" (+)-Bullatacin","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C37H66O7"},11134193:{PUBCHEM:{CID:"11134193","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;hexachloroplatinum(2-)","IUPAC Name CAS-like Style":"Disodium;hexachloroplatinum(2-)","IUPAC Name Markup":"Disodium;hexachloroplatinum(2-)","IUPAC Name Preferred":"Disodium;hexachloroplatinum(2-)","IUPAC Name Systematic":"Disodium;hexakis(chloranyl)platinum(2-)","IUPAC Name Traditional":"Disodium;hexachloroplatinum(2-)",InChI:"1S/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6",InChIKey:"QGFSULIVEYGQQY-UHFFFAOYSA-H","Exact Mass":452.754499,"Molecular Formula":"Cl6Na2Pt","Molecular Weight":453.8,"Monoisotopic Mass":450.757449,Charge:0,"Easy Name":"Sodium hexachloroplatinate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6Na2Pt1"},11137142:{PUBCHEM:{CID:"11137142","Compound Complexity":29.1,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nitridooxonium;tetrafluoroborate","IUPAC Name CAS-like Style":"Nitrilooxonium;tetrafluoroborate","IUPAC Name Markup":"Azanylidyneoxidanium;tetrafluoroborate","IUPAC Name Preferred":"Azanylidyneoxidanium;tetrafluoroborate","IUPAC Name Systematic":"Azanylidyneoxidanium;tetrafluoroborate","IUPAC Name Traditional":"Nitrilooxonium;tetrafluoroborate",InChI:"1S/BF4.NO/c2-1(3,4)5;1-2/q-1;+1",InChIKey:"KGCNVGDHOSFKFT-UHFFFAOYSA-N","Exact Mass":117.0009064,"Molecular Formula":"BF4NO","Molecular Weight":116.81,"Monoisotopic Mass":117.0009064,Charge:0,"Easy Name":"Nitrosonium tetrafluoroborate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"B1F4N1O1"},11137711:{PUBCHEM:{CID:"11137711","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3R,4R,5R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1",InChIKey:"AVVWPBAENSWJCB-UKFBFLRUSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Glucofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},11142854:{PUBCHEM:{CID:"11142854","Compound Complexity":207,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;triphenyltin","IUPAC Name CAS-like Style":"Lithium;triphenyltin","IUPAC Name Markup":"Lithium;triphenyltin","IUPAC Name Preferred":"Lithium;triphenyltin","IUPAC Name Systematic":"Lithium;triphenyltin","IUPAC Name Traditional":"Lithium;triphenyltin",InChI:"1S/3C6H5.Li.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;;",InChIKey:"KRMGBEWSGHIXFU-UHFFFAOYSA-N","Exact Mass":358.035581,"Molecular Formula":"C18H15LiSn","Molecular Weight":357,"Monoisotopic Mass":358.035581,Charge:0,"Easy Name":" (Triphenylstannyl)lithium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"C18H15Li1Sn1"},11156985:{PUBCHEM:{CID:"11156985","Compound Complexity":1e3,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":7,"Rotatable Bond":6,"IUPAC Name Allowed":"(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-8-yl]oxy-3,5-dihydroxy-4-sulfooxy-tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3R,4S,5R,6S)-6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-8-yl]oxy]-3,5-dihydroxy-4-sulfooxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3R,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-8-yl]oxy-3,5-bis(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-8-yl]oxy-3,5-dihydroxy-4-sulfoxy-tetrahydropyran-2-carboxylic acid",InChI:"1S/C21H18O15S/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)16(17(13)33-12)34-21-15(27)18(36-37(30,31)32)14(26)19(35-21)20(28)29/h1-6,14-15,18-19,21-23,25-27H,(H,28,29)(H,30,31,32)/t14-,15+,18-,19-,21+/m0/s1",InChIKey:"RUJCBFMBNQPWBK-DLSLMLROSA-N","Log P":.4,"Exact Mass":542.03664105,"Molecular Formula":"C21H18O15S","Molecular Weight":542.4,"Monoisotopic Mass":542.03664105,Charge:0,"Easy Name":"Theograndin I","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H18O15S1"},11170867:{PUBCHEM:{CID:"11170867","Compound Complexity":2700,"Hydrogen Bond Acceptor":26,"Hydrogen Bond Donor":17,"Rotatable Bond":26,"IUPAC Name Allowed":"(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxy-butanoic acid","IUPAC Name CAS-like Style":"(2S,3R)-2-[[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-1-oxo-2-[[1-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethyl]amino]-3-phenylpropyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]amino]-3-hydroxybutanoic acid","IUPAC Name Markup":"(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid","IUPAC Name Preferred":"(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid","IUPAC Name Systematic":"(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-azanylbutyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-7-[(1R)-1-oxidanylethyl]-6,9,12,15,18-pentakis(oxidanylidene)-19-[[(2R)-3-phenyl-2-[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonylamino]-3-oxidanyl-butanoic acid","IUPAC Name Traditional":"(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaketo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carbonyl]amino]-3-hydroxy-butyric acid",InChI:"1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1",InChIKey:"QVFLVLMYXXNJDT-CSBVGUNJSA-N","Log P":-9.3,"Exact Mass":1434.59480909,"Molecular Formula":"C65H90N14O19S2","Molecular Weight":1435.6,"Monoisotopic Mass":1434.59480909,Charge:0,"Easy Name":"DOTA-TATE","Easy Category":"Peptide"},HSDB:{},ReducedFormula:"C65H90N14O19S2"},11171030:{PUBCHEM:{CID:"11171030","Compound Complexity":55.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"N,N-dichloro-2-methyl-propan-2-amine","IUPAC Name CAS-like Style":"N,N-dichloro-2-methyl-2-propanamine","IUPAC Name Markup":"N,N-dichloro-2-methylpropan-2-amine","IUPAC Name Preferred":"N,N-dichloro-2-methylpropan-2-amine","IUPAC Name Systematic":"N,N-bis(chloranyl)-2-methyl-propan-2-amine","IUPAC Name Traditional":"Tert-butyl(dichloro)amine",InChI:"1S/C4H9Cl2N/c1-4(2,3)7(5)6/h1-3H3",InChIKey:"UIBSAKCPWDWPLB-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":141.0112047,"Molecular Formula":"C4H9Cl2N","Molecular Weight":142.02,"Monoisotopic Mass":141.0112047,Charge:0,"Easy Name":"N, N-Dichloro-2-methyl-2-propanamine","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"C4Cl2H9N1"},11171195:{PUBCHEM:{CID:"11171195","Compound Complexity":18.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;sulfite","IUPAC Name CAS-like Style":"Strontium;sulfite","IUPAC Name Markup":"Strontium;sulfite","IUPAC Name Preferred":"Strontium;sulfite","IUPAC Name Systematic":"Strontium;sulfite","IUPAC Name Traditional":"Strontium;sulfite",InChI:"1S/H2O3S.Sr/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2",InChIKey:"VTBSJEPGLHXIIS-UHFFFAOYSA-L","Exact Mass":167.86242729,"Molecular Formula":"O3SSr","Molecular Weight":167.7,"Monoisotopic Mass":167.86242729,Charge:0,"Easy Name":"Strontium sulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O3S1Sr1"},11174599:{PUBCHEM:{CID:"11174599","Compound Complexity":562,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":8,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol","IUPAC Name CAS-like Style":"(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol","IUPAC Name Markup":"(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol","IUPAC Name Preferred":"(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol","IUPAC Name Systematic":"(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-azanyl-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol","IUPAC Name Traditional":"(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-methylol-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol",InChI:"1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1",InChIKey:"CFMYXEVWODSLAX-QOZOJKKESA-N","Log P":-5.9,"Exact Mass":319.10156452,"Molecular Formula":"C11H17N3O8","Molecular Weight":319.27,"Monoisotopic Mass":319.10156452,Charge:0,"Easy Name":"Tetrodotoxin","Easy Category":"Organic compound"},HSDB:{"Color And Form":{Value:"Crystals"},"Melting Point":{Value:"225 °C (decomposes)"},Solubility:{Value:"In water, 1.0X10+6 mg/L at 25 °C /miscible/ (est)"},Uses:{Value:"MEDICATION"}},ReducedFormula:"C11H17N3O8"},11194702:{PUBCHEM:{CID:"11194702","Compound Complexity":95.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;perbromate","IUPAC Name CAS-like Style":"Potassium;perbromate","IUPAC Name Markup":"Potassium;perbromate","IUPAC Name Preferred":"Potassium;perbromate","IUPAC Name Systematic":"Potassium;perbromate","IUPAC Name Traditional":"Potassium;perbromate",InChI:"1S/BrHO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"VXLUZERCXISKBW-UHFFFAOYSA-M","Exact Mass":181.8617,"Molecular Formula":"BrKO4","Molecular Weight":183,"Monoisotopic Mass":181.8617,Charge:0,"Easy Name":"Potassium perbromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1K1O4"},11224929:{PUBCHEM:{CID:"11224929","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Triammonium;hexachloroiridium(3-)","IUPAC Name CAS-like Style":"Triammonium;hexachloroiridium(3-)","IUPAC Name Markup":"Triazanium;hexachloroiridium(3-)","IUPAC Name Preferred":"Triazanium;hexachloroiridium(3-)","IUPAC Name Systematic":"Triazanium;hexakis(chloranyl)iridium(3-)","IUPAC Name Traditional":"Triammonium;hexachloroiridium(3-)",InChI:"1S/6ClH.Ir.3H3N/h6*1H;;3*1H3/q;;;;;;+3;;;/p-3",InChIKey:"AIDFGYMTQWWVES-UHFFFAOYSA-K","Exact Mass":458.87621,"Molecular Formula":"Cl6H12IrN3","Molecular Weight":459,"Monoisotopic Mass":456.87916,Charge:0,"Easy Name":"Ammonium hexachloroiridate (III)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6H12Ir1N3"},11224930:{PUBCHEM:{CID:"11224930","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexachloroiridium(3-)","IUPAC Name CAS-like Style":"Hexachloroiridium(3-)","IUPAC Name Markup":"Hexachloroiridium(3-)","IUPAC Name Preferred":"Hexachloroiridium(3-)","IUPAC Name Systematic":"Hexakis(chloranyl)iridium(3-)","IUPAC Name Traditional":"Hexachloroiridium(3-)",InChI:"1S/6ClH.Ir/h6*1H;/q;;;;;;+3/p-6",InChIKey:"BFRMIVGBOLXIGM-UHFFFAOYSA-H","Exact Mass":404.77309,"Molecular Formula":"Cl6Ir-3","Molecular Weight":404.9,"Monoisotopic Mass":402.77604,Charge:-3,"Easy Name":"Hexachloroiridate (III) anion","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-3Cl6Ir1"},11248716:{PUBCHEM:{CID:"11248716","Compound Complexity":683,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole","IUPAC Name CAS-like Style":"9-[4-[4-(9-carbazolyl)phenyl]phenyl]carbazole","IUPAC Name Markup":"9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole","IUPAC Name Preferred":"9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole","IUPAC Name Systematic":"9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole","IUPAC Name Traditional":"9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole",InChI:"1S/C36H24N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H",InChIKey:"VFUDMQLBKNMONU-UHFFFAOYSA-N","Log P":9.7,"Exact Mass":484.19394878,"Molecular Formula":"C36H24N2","Molecular Weight":484.6,"Monoisotopic Mass":484.19394878,Charge:0,"Easy Name":"4, 4′-bis (N-carbazolyl)biphenyl","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C36H24N2"},11264963:{PUBCHEM:{CID:"11264963","Compound Complexity":191,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1-nitro-4-(trichloromethyl)benzene","IUPAC Name CAS-like Style":"1-nitro-4-(trichloromethyl)benzene","IUPAC Name Markup":"1-nitro-4-(trichloromethyl)benzene","IUPAC Name Preferred":"1-nitro-4-(trichloromethyl)benzene","IUPAC Name Systematic":"1-nitro-4-(trichloromethyl)benzene","IUPAC Name Traditional":"1-nitro-4-(trichloromethyl)benzene",InChI:"1S/C7H4Cl3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H",InChIKey:"ZNUKSRFJVSGOTL-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":238.930761,"Molecular Formula":"C7H4Cl3NO2","Molecular Weight":240.5,"Monoisotopic Mass":238.930761,Charge:0,"Easy Name":"4-Nitrobenzotrichloride","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C7Cl3H4N1O2"},11266912:{PUBCHEM:{CID:"11266912","Compound Complexity":344,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"Ethyl 5-piperazin-1-ylbenzofuran-2-carboxylate;hydrochloride","IUPAC Name CAS-like Style":"5-(1-piperazinyl)-2-benzofurancarboxylic acid ethyl ester;hydrochloride","IUPAC Name Markup":"Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrochloride","IUPAC Name Preferred":"Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrochloride","IUPAC Name Systematic":"Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrochloride","IUPAC Name Traditional":"5-piperazinocoumarilic acid ethyl ester;hydrochloride",InChI:"1S/C15H18N2O3.ClH/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17;/h3-4,9-10,16H,2,5-8H2,1H3;1H",InChIKey:"IQUHEEPSXHVIPO-UHFFFAOYSA-N","Exact Mass":310.1084202,"Molecular Formula":"C15H19ClN2O3","Molecular Weight":310.77,"Monoisotopic Mass":310.1084202,Charge:0,"Easy Name":"5- (1-Piperazinyl)-2-benzofurancarboxylic acid ethyl ester monohydrochloride","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C15Cl1H19N2O3"},11272944:{PUBCHEM:{CID:"11272944","Compound Complexity":1040,"Hydrogen Bond Acceptor":16,"Hydrogen Bond Donor":8,"Rotatable Bond":6,"IUPAC Name Allowed":"(2S,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-8-yl]oxy-3,5-dihydroxy-4-sulfooxy-tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3R,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-8-yl]oxy]-3,5-dihydroxy-4-sulfooxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3R,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-8-yl]oxy-3,5-bis(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-8-yl]oxy-3,5-dihydroxy-4-sulfoxy-tetrahydropyran-2-carboxylic acid",InChI:"1S/C21H18O16S/c22-7-2-1-6(3-8(7)23)12-5-10(25)13-9(24)4-11(26)16(17(13)34-12)35-21-15(28)18(37-38(31,32)33)14(27)19(36-21)20(29)30/h1-5,14-15,18-19,21-24,26-28H,(H,29,30)(H,31,32,33)/t14-,15+,18-,19-,21+/m0/s1",InChIKey:"ZRZNGKWFMIBYEF-DLSLMLROSA-N","Log P":0,"Exact Mass":558.03155567,"Molecular Formula":"C21H18O16S","Molecular Weight":558.4,"Monoisotopic Mass":558.03155567,Charge:0,"Easy Name":"Theograndin II","Easy Category":"Antioxidant"},HSDB:{},ReducedFormula:"C21H18O16S1"},11309871:{PUBCHEM:{CID:"11309871","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3R,4R,5R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1",InChIKey:"AVVWPBAENSWJCB-QZABAPFNSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Glucofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},11326715:{PUBCHEM:{CID:"11326715","Compound Complexity":658,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide","IUPAC Name CAS-like Style":"(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide","IUPAC Name Markup":"(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide","IUPAC Name Preferred":"(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide","IUPAC Name Systematic":"(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-propanamide","IUPAC Name Traditional":"(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propionamide",InChI:"1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1",InChIKey:"JNGVJMBLXIUVRD-SFHVURJKSA-N","Log P":2.7,"Exact Mass":389.09872581,"Molecular Formula":"C19H14F3N3O3","Molecular Weight":389.3,"Monoisotopic Mass":389.09872581,Charge:0,"Easy Name":"Enobosarm","Easy Category":"Nitriles"},HSDB:{},ReducedFormula:"C19F3H14N3O3"},11337898:{PUBCHEM:{CID:"11337898","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;tetrachlorogold(1-)","IUPAC Name CAS-like Style":"Potassium;tetrachlorogold(1-)","IUPAC Name Markup":"Potassium;tetrachlorogold(1-)","IUPAC Name Preferred":"Potassium;tetrachlorogold(1-)","IUPAC Name Systematic":"Potassium;tetrakis(chloranyl)gold(1-)","IUPAC Name Traditional":"Potassium;tetrachlorogold(1-)",InChI:"1S/Au.4ClH.K/h;4*1H;/q+3;;;;;+1/p-4",InChIKey:"JMONCQYBAMKVQQ-UHFFFAOYSA-J","Exact Mass":377.802737,"Molecular Formula":"AuCl4K","Molecular Weight":377.9,"Monoisotopic Mass":375.805687,Charge:0,"Easy Name":"Potassium tetrachloroaurate (1-)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1Cl4K1"},11390146:{PUBCHEM:{CID:"11390146","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Titanium(2+);dibromide","IUPAC Name CAS-like Style":"Titanium(2+);dibromide","IUPAC Name Markup":"Titanium(2+);dibromide","IUPAC Name Preferred":"Titanium(2+);dibromide","IUPAC Name Systematic":"Titanium(2+);dibromide","IUPAC Name Traditional":"Titanium(2+);dibromide",InChI:"1S/2BrH.Ti/h2*1H;/q;;+2/p-2",InChIKey:"AUZMWGNTACEWDV-UHFFFAOYSA-L","Exact Mass":207.78257,"Molecular Formula":"Br2Ti","Molecular Weight":207.67,"Monoisotopic Mass":205.78462,Charge:0,"Easy Name":"Titanium (2+) dibromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br2Ti1"},11395057:{PUBCHEM:{CID:"11395057","Compound Complexity":485,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"(2R,3R)-7-allyl-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine","IUPAC Name CAS-like Style":"(2R,3R)-5-methoxy-3-methyl-7-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin","IUPAC Name Markup":"(2R,3R)-5-methoxy-3-methyl-7-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine","IUPAC Name Preferred":"(2R,3R)-5-methoxy-3-methyl-7-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine","IUPAC Name Systematic":"(2R,3R)-5-methoxy-3-methyl-7-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine","IUPAC Name Traditional":"(2R,3R)-7-allyl-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin",InChI:"1S/C22H26O6/c1-7-8-14-9-16(23-3)22-19(10-14)28-20(13(2)27-22)15-11-17(24-4)21(26-6)18(12-15)25-5/h7,9-13,20H,1,8H2,2-6H3/t13-,20+/m1/s1",InChIKey:"BVNKWNRETUIZFZ-XCLFUZPHSA-N","Log P":4.6,"Exact Mass":386.17293856,"Molecular Formula":"C22H26O6","Molecular Weight":386.4,"Monoisotopic Mass":386.17293856,Charge:0,"Easy Name":"Eusiderin","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C22H26O6"},11423554:{PUBCHEM:{CID:"11423554","Compound Complexity":7.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;chlorite","IUPAC Name CAS-like Style":"Lithium;chlorite","IUPAC Name Markup":"Lithium;chlorite","IUPAC Name Preferred":"Lithium;chlorite","IUPAC Name Systematic":"Lithium;chlorite","IUPAC Name Traditional":"Lithium;chlorite",InChI:"1S/ClHO2.Li/c2-1-3;/h(H,2,3);/q;+1/p-1",InChIKey:"KAGBQTDQNWOCND-UHFFFAOYSA-M","Exact Mass":73.9746854,"Molecular Formula":"ClLiO2","Molecular Weight":74.4,"Monoisotopic Mass":73.9746854,Charge:0,"Easy Name":"Lithium chlorite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1Li1O2"},11457652:{PUBCHEM:{CID:"11457652","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Aminoammonium;chloride","IUPAC Name CAS-like Style":"Aminoammonium;chloride","IUPAC Name Markup":"Aminoazanium;chloride","IUPAC Name Preferred":"Aminoazanium;chloride","IUPAC Name Systematic":"Azanylazanium;chloride","IUPAC Name Traditional":"Aminoammonium;chloride",InChI:"1S/ClH.H4N2/c;1-2/h1H;1-2H2",InChIKey:"BIVUUOPIAYRCAP-UHFFFAOYSA-N","Exact Mass":68.0141259,"Molecular Formula":"ClH5N2","Molecular Weight":68.51,"Monoisotopic Mass":68.0141259,Charge:0,"Easy Name":"Hydrazinium chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1H5N2"},11493434:{PUBCHEM:{CID:"11493434","Compound Complexity":458,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"[(2S,3S,4S)-3,4,5-triacetoxytetrahydrofuran-2-yl]methyl acetate","IUPAC Name CAS-like Style":"Acetic acid [(2S,3S,4S)-3,4,5-triacetyloxy-2-oxolanyl]methyl ester","IUPAC Name Markup":"[(2S,3S,4S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate","IUPAC Name Preferred":"[(2S,3S,4S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate","IUPAC Name Systematic":"[(2S,3S,4S)-3,4,5-triacetyloxyoxolan-2-yl]methyl ethanoate","IUPAC Name Traditional":"Acetic acid [(2S,3S,4S)-3,4,5-triacetoxytetrahydrofuran-2-yl]methyl ester",InChI:"1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13?/m0/s1",InChIKey:"IHNHAHWGVLXCCI-TXRDPFJMSA-N","Log P":.7,"Exact Mass":318.09508216,"Molecular Formula":"C13H18O9","Molecular Weight":318.28,"Monoisotopic Mass":318.09508216,Charge:0,"Easy Name":"Tetraacetylribofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C13H18O9"},11521105:{PUBCHEM:{CID:"11521105","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R,4R,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3R,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3R,4R,5R)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5-/m1/s1",InChIKey:"HMFHBZSHGGEWLO-KKQCNMDGSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Β-D-Xylofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},11546269:{PUBCHEM:{CID:"11546269","Compound Complexity":679,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"1-methoxy-2,8-bis(3-methylbut-2-enyl)-6H-benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name CAS-like Style":"1-methoxy-2,8-bis(3-methylbut-2-enyl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol","IUPAC Name Markup":"1-methoxy-2,8-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Preferred":"1-methoxy-2,8-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Systematic":"1-methoxy-2,8-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","IUPAC Name Traditional":"1-methoxy-2,8-bis(3-methylbut-2-enyl)-6H-benzofuro[3,2-c]chromene-3,9-diol",InChI:"1S/C26H28O5/c1-14(2)6-8-16-10-18-19-13-30-23-12-21(28)17(9-7-15(3)4)25(29-5)24(23)26(19)31-22(18)11-20(16)27/h6-7,10-12,27-28H,8-9,13H2,1-5H3",InChIKey:"CBPFOSMNDISZLV-UHFFFAOYSA-N","Log P":6.6,"Exact Mass":420.193674,"Molecular Formula":"C26H28O5","Molecular Weight":420.5,"Monoisotopic Mass":420.193674,Charge:0,"Easy Name":"Glycyrrhizol A","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C26H28O5"},11604108:{PUBCHEM:{CID:"11604108","Compound Complexity":485,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"4-[(3R,3aS,6R,6aS)-6-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenol","IUPAC Name CAS-like Style":"4-[(3R,3aS,6R,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol","IUPAC Name Markup":"4-[(3R,3aS,6R,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol","IUPAC Name Preferred":"4-[(3R,3aS,6R,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol","IUPAC Name Systematic":"4-[(3R,3aS,6R,6aS)-6-(3,5-dimethoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenol","IUPAC Name Traditional":"4-[(3R,3aS,6R,6aS)-6-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenol",InChI:"1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m1/s1",InChIKey:"KOWMJRJXZMEZLD-WRMVBYCNSA-N","Log P":2.2,"Exact Mass":418.1627678,"Molecular Formula":"C22H26O8","Molecular Weight":418.4,"Monoisotopic Mass":418.1627678,Charge:0,"Easy Name":" (-)-Syringaresinol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C22H26O8"},11643925:{PUBCHEM:{CID:"11643925","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxygen(2-);titanium(4+);difluoride","IUPAC Name CAS-like Style":"Oxygen(2-);titanium(4+);difluoride","IUPAC Name Markup":"Oxygen(2-);titanium(4+);difluoride","IUPAC Name Preferred":"Oxygen(2-);titanium(4+);difluoride","IUPAC Name Systematic":"Oxygen(2-);titanium(4+);difluoride","IUPAC Name Traditional":"Oxygen(2-);titanium(4+);difluoride",InChI:"1S/2FH.O.Ti/h2*1H;;/q;;-2;+4/p-2",InChIKey:"OHWOBLVRAJXODS-UHFFFAOYSA-L","Exact Mass":101.939662,"Molecular Formula":"F2OTi","Molecular Weight":101.86,"Monoisotopic Mass":101.939662,Charge:0,"Easy Name":"Titanium oxyfluoride","Easy Category":"Oxohalides"},HSDB:{},ReducedFormula:"F2O1Ti1"},11651651:{PUBCHEM:{CID:"11651651","Compound Complexity":36.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxocobalt;oxo(oxocobaltiooxy)cobalt","IUPAC Name CAS-like Style":"Oxocobalt;oxo(oxocobaltiooxy)cobalt","IUPAC Name Markup":"Oxocobalt;oxo(oxocobaltiooxy)cobalt","IUPAC Name Preferred":"Oxocobalt;oxo(oxocobaltiooxy)cobalt","IUPAC Name Systematic":"Oxidanylidenecobalt;oxidanylidene(oxidanylidenecobaltiooxy)cobalt","IUPAC Name Traditional":"Ketocobalt;keto(ketocobaltiooxy)cobalt",InChI:"1S/3Co.4O",InChIKey:"LBFUKZWYPLNNJC-UHFFFAOYSA-N","Exact Mass":240.77924,"Molecular Formula":"Co3O4","Molecular Weight":240.797,"Monoisotopic Mass":240.77924,Charge:0,"Easy Name":"Cobalt (II, III) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Co3O4"},11674147:{PUBCHEM:{CID:"11674147","Compound Complexity":357,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"(E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-dec-6-enamide","IUPAC Name CAS-like Style":"(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-decenamide","IUPAC Name Markup":"(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide","IUPAC Name Preferred":"(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide","IUPAC Name Systematic":"(E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-dec-6-enamide","IUPAC Name Traditional":"(E)-8-methyl-N-vanillyl-dec-6-enamide",InChI:"1S/C19H29NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+",InChIKey:"MLJGZARGNROKAC-VQHVLOKHSA-N","Log P":4.1,"Exact Mass":319.2147438,"Molecular Formula":"C19H29NO3","Molecular Weight":319.4,"Monoisotopic Mass":319.2147438,Charge:0,"Easy Name":"Homocapsaicin II","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C19H29N1O3"},11679808:{PUBCHEM:{CID:"11679808","Compound Complexity":36.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonium;chlorate","IUPAC Name CAS-like Style":"Ammonium;chlorate","IUPAC Name Markup":"Azanium;chlorate","IUPAC Name Preferred":"Azanium;chlorate","IUPAC Name Systematic":"Azanium;chlorate","IUPAC Name Traditional":"Ammonium;chlorate",InChI:"1S/ClHO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3",InChIKey:"KHPLPBHMTCTCHA-UHFFFAOYSA-N","Exact Mass":100.9879707,"Molecular Formula":"ClH4NO3","Molecular Weight":101.49,"Monoisotopic Mass":100.9879707,Charge:0,"Easy Name":"Ammonium chlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1H4N1O3"},11684767:{PUBCHEM:{CID:"11684767","Compound Complexity":62.2,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":6,"Rotatable Bond":0,"IUPAC Name Allowed":"Triferric;potassium;hexahydroxide;disulfate","IUPAC Name CAS-like Style":"Potassium;iron(3+);hexahydroxide;disulfate","IUPAC Name Markup":"Potassium;iron(3+);hexahydroxide;disulfate","IUPAC Name Preferred":"Potassium;iron(3+);hexahydroxide;disulfate","IUPAC Name Systematic":"Potassium;iron(3+);hexahydroxide;disulfate","IUPAC Name Traditional":"Triferric;potassium;hexahydroxide;disulfate",InChI:"1S/3Fe.K.2H2O4S.6H2O/c;;;;2*1-5(2,3)4;;;;;;/h;;;;2*(H2,1,2,3,4);6*1H2/q3*+3;+1;;;;;;;;/p-10",InChIKey:"ZDRXNBQZPSLMJH-UHFFFAOYSA-D","Exact Mass":500.688411,"Molecular Formula":"Fe3H6KO14S2","Molecular Weight":500.8,"Monoisotopic Mass":500.688411,Charge:0,"Easy Name":"Iron (3+) potassium hydroxide sulfate (3:1:6:2)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe3H6K1O14S2"},11694431:{PUBCHEM:{CID:"11694431","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltic;trinitrate","IUPAC Name CAS-like Style":"Cobalt(3+);trinitrate","IUPAC Name Markup":"Cobalt(3+);trinitrate","IUPAC Name Preferred":"Cobalt(3+);trinitrate","IUPAC Name Systematic":"Cobalt(3+);trinitrate","IUPAC Name Traditional":"Cobaltic;trinitrate",InChI:"1S/Co.3NO3/c;3*2-1(3)4/q+3;3*-1",InChIKey:"JGDIMKGYTAZXOY-UHFFFAOYSA-N","Exact Mass":244.896647,"Molecular Formula":"CoN3O9","Molecular Weight":244.95,"Monoisotopic Mass":244.896647,Charge:0,"Easy Name":"Cobalt (III) nitrate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Co1N3O9"},11735495:{PUBCHEM:{CID:"11735495","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetraiodogold(1-)","IUPAC Name CAS-like Style":"Tetraiodogold(1-)","IUPAC Name Markup":"Tetraiodogold(1-)","IUPAC Name Preferred":"Tetraiodogold(1-)","IUPAC Name Systematic":"Tetrakis(iodanyl)gold(1-)","IUPAC Name Traditional":"Tetraiodogold(1-)",InChI:"1S/Au.4HI/h;4*1H/q+3;;;;/p-4",InChIKey:"VEDRDPAEYDFPLJ-UHFFFAOYSA-J","Exact Mass":704.5845,"Molecular Formula":"AuI4-","Molecular Weight":704.584,"Monoisotopic Mass":704.5845,Charge:-1,"Easy Name":"Tetraiodoaurate (1-)","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1Au1I4"},11764524:{PUBCHEM:{CID:"11764524","Compound Complexity":1110,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":3,"Rotatable Bond":53,"IUPAC Name Allowed":"2,3-bis[[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z,12R)-12-hydroxyoctadec-9-enoate","IUPAC Name CAS-like Style":"(Z,12R)-12-hydroxy-9-octadecenoic acid 2,3-bis[(Z,12R)-12-hydroxy-1-oxooctadec-9-enoxy]propyl ester","IUPAC Name Markup":"2,3-bis[[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z,12R)-12-hydroxyoctadec-9-enoate","IUPAC Name Preferred":"2,3-bis[[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z,12R)-12-hydroxyoctadec-9-enoate","IUPAC Name Systematic":"2,3-bis[[(Z,12R)-12-oxidanyloctadec-9-enoyl]oxy]propyl (Z,12R)-12-oxidanyloctadec-9-enoate","IUPAC Name Traditional":"(Z,12R)-12-hydroxyoctadec-9-enoic acid 2,3-bis[[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxy]propyl ester",InChI:"1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-/t51-,52-,53-/m1/s1",InChIKey:"ZEMPKEQAKRGZGQ-VBJOUPRGSA-N","Log P":17.8,"Exact Mass":932.76803493,"Molecular Formula":"C57H104O9","Molecular Weight":933.4,"Monoisotopic Mass":932.76803493,Charge:0,"Easy Name":"Ricinolein","Easy Category":"Triglyceride"},HSDB:{},ReducedFormula:"C57H104O9"},11768666:{PUBCHEM:{CID:"11768666","Compound Complexity":176,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-2-amino-3-[(1R)-2-methylenecyclopropyl]propanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-3-[(1R)-2-methylenecyclopropyl]propanoic acid","IUPAC Name Markup":"(2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid","IUPAC Name Preferred":"(2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-3-[(1R)-2-methylidenecyclopropyl]propanoic acid","IUPAC Name Traditional":"(2S)-2-amino-3-[(1R)-2-methylenecyclopropyl]propionic acid",InChI:"1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6+/m1/s1",InChIKey:"OOJZCXFXPZGUBJ-RITPCOANSA-N","Log P":-2.5,"Exact Mass":141.0789786,"Molecular Formula":"C7H11NO2","Molecular Weight":141.17,"Monoisotopic Mass":141.0789786,Charge:0,"Easy Name":"Hypoglycin A","Easy Category":"Amino acids"},HSDB:{"Color And Form":{Value:"Yellow plates from methanol + water"},"Melting Point":{Value:"280-284 °C"}},ReducedFormula:"C7H11N1O2"},11769948:{PUBCHEM:{CID:"11769948","Compound Complexity":76,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;hydrogen sulfate","IUPAC Name CAS-like Style":"Magnesium;hydrogen sulfate","IUPAC Name Markup":"Magnesium;hydrogen sulfate","IUPAC Name Preferred":"Magnesium;hydrogen sulfate","IUPAC Name Systematic":"Magnesium;hydrogen sulfate","IUPAC Name Traditional":"Magnesium;dibisulfate",InChI:"1S/Mg.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+2;;/p-2",InChIKey:"FXBYOMANNHFNQV-UHFFFAOYSA-L","Exact Mass":217.9041511,"Molecular Formula":"H2MgO8S2","Molecular Weight":218.5,"Monoisotopic Mass":217.9041511,Charge:0,"Easy Name":"Magnesium hydrogen sulfate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"H2Mg1O8S2"},11788284:{PUBCHEM:{CID:"11788284","Compound Complexity":55.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"3-ethylpentanal","IUPAC Name CAS-like Style":"3-ethylpentanal","IUPAC Name Markup":"3-ethylpentanal","IUPAC Name Preferred":"3-ethylpentanal","IUPAC Name Systematic":"3-ethylpentanal","IUPAC Name Traditional":"3-ethylvaleraldehyde",InChI:"1S/C7H14O/c1-3-7(4-2)5-6-8/h6-7H,3-5H2,1-2H3",InChIKey:"HIJLVHXVBWTMEV-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":114.10446507,"Molecular Formula":"C7H14O","Molecular Weight":114.19,"Monoisotopic Mass":114.10446507,Charge:0,"Easy Name":"3-Ethylpentanal","Easy Category":"Aldehyde"},HSDB:{},ReducedFormula:"C7H14O1"},11788321:{PUBCHEM:{CID:"11788321","Compound Complexity":18.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;sulfite","IUPAC Name CAS-like Style":"Iron(2+);sulfite","IUPAC Name Markup":"Iron(2+);sulfite","IUPAC Name Preferred":"Iron(2+);sulfite","IUPAC Name Systematic":"Iron(2+);sulfite","IUPAC Name Traditional":"Ferrous;sulfite",InChI:"1S/Fe.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",InChIKey:"FPNCFEPWJLGURZ-UHFFFAOYSA-L","Exact Mass":135.891751,"Molecular Formula":"FeO3S","Molecular Weight":135.91,"Monoisotopic Mass":135.891751,Charge:0,"Easy Name":"Iron (II) sulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1O3S1"},11805084:{PUBCHEM:{CID:"11805084","Compound Complexity":114,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(trioxo)technetium","IUPAC Name CAS-like Style":"Hydroxy(trioxo)technetium","IUPAC Name Markup":"Hydroxy(trioxo)technetium","IUPAC Name Preferred":"Hydroxy(trioxo)technetium","IUPAC Name Systematic":"Oxidanyl-tris(oxidanylidene)technetium","IUPAC Name Traditional":"Hydroxy(triketo)technetium",InChI:"1S/H2O.3O.Tc/h1H2;;;;/q;;;;+1/p-1",InChIKey:"UTQISYNNAQMRBN-UHFFFAOYSA-M","Exact Mass":162.89469,"Molecular Formula":"HO4Tc","Molecular Weight":162.913,"Monoisotopic Mass":162.89469,Charge:0,"Easy Name":"Pertechnetic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H1O4Tc1"},11807053:{PUBCHEM:{CID:"11807053","Compound Complexity":54.9,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloro(trifluoro)-lambda5-stibane","IUPAC Name CAS-like Style":"Dichloro(trifluoro)stiborane","IUPAC Name Markup":"Dichloro(trifluoro)-λ5-stibane","IUPAC Name Preferred":"Dichloro(trifluoro)-lambda5-stibane","IUPAC Name Systematic":"Bis(chloranyl)-tris(fluoranyl)-lambda5-stibane","IUPAC Name Traditional":"Dichloro(trifluoro)stiborane",InChI:"1S/2ClH.3FH.Sb/h5*1H;/q;;;;;+5/p-5",InChIKey:"NBTDHPWTBVPOSY-UHFFFAOYSA-I","Exact Mass":247.83672,"Molecular Formula":"Cl2F3Sb","Molecular Weight":249.66,"Monoisotopic Mass":247.83672,Charge:0,"Easy Name":"Dichloro (trifluoro)stiborane","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Cl2F3Sb1"},11831840:{PUBCHEM:{CID:"11831840","Compound Complexity":303,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene","IUPAC Name CAS-like Style":"Hexacyclo[11.5.2.04,17.07,16.010,15.014,18]eicosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene","IUPAC Name Markup":"Hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene","IUPAC Name Preferred":"Hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene","IUPAC Name Systematic":"Hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene","IUPAC Name Traditional":"Hexacyclo[11.5.2.04,17.07,16.010,15.014,18]eicosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene",InChI:"1S/C20H10/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16/h1-10H",InChIKey:"VXRUJZQPKRBJKH-UHFFFAOYSA-N","Log P":6,"Exact Mass":250.078250322,"Molecular Formula":"C20H10","Molecular Weight":250.3,"Monoisotopic Mass":250.078250322,Charge:0,"Easy Name":"Corannulene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C20H10"},11833005:{PUBCHEM:{CID:"11833005","Compound Complexity":158,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,7-dibromonaphthalene","IUPAC Name CAS-like Style":"1,7-dibromonaphthalene","IUPAC Name Markup":"1,7-dibromonaphthalene","IUPAC Name Preferred":"1,7-dibromonaphthalene","IUPAC Name Systematic":"1,7-bis(bromanyl)naphthalene","IUPAC Name Traditional":"1,7-dibromonaphthalene",InChI:"1S/C10H6Br2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6H",InChIKey:"LTFFDNPPMQALBV-UHFFFAOYSA-N","Log P":4.7,"Exact Mass":285.88158,"Molecular Formula":"C10H6Br2","Molecular Weight":285.96,"Monoisotopic Mass":283.88363,Charge:0,"Easy Name":"1, 7-Dibromonaphthalene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br2C10H6"},11857532:{PUBCHEM:{CID:"11857532","Compound Complexity":1290,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":2,"Rotatable Bond":30,"IUPAC Name Allowed":"6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-N-[3-[2-[2-[3-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide;diiodide","IUPAC Name CAS-like Style":"6-[3,6-bis(dimethylamino)-10-acridin-10-iumyl]-N-[3-[2-[2-[3-[[6-[3,6-bis(dimethylamino)-10-acridin-10-iumyl]-1-oxohexyl]amino]propoxy]ethoxy]ethoxy]propyl]hexanamide;diiodide","IUPAC Name Markup":"6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-N-[3-[2-[2-[3-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide;diiodide","IUPAC Name Preferred":"6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-N-[3-[2-[2-[3-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide;diiodide","IUPAC Name Systematic":"6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-N-[3-[2-[2-[3-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide;diiodide","IUPAC Name Traditional":"6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-N-[3-[2-[2-[3-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide;diiodide",InChI:"1S/C56H78N8O5.2HI/c1-59(2)47-23-19-43-37-44-20-24-48(60(3)4)40-52(44)63(51(43)39-47)29-13-9-11-17-55(65)57-27-15-31-67-33-35-69-36-34-68-32-16-28-58-56(66)18-12-10-14-30-64-53-41-49(61(5)6)25-21-45(53)38-46-22-26-50(62(7)8)42-54(46)64;;/h19-26,37-42H,9-18,27-36H2,1-8H3;2*1H",InChIKey:"TWYVVGMYFLAQMU-UHFFFAOYSA-N","Exact Mass":1198.43411,"Molecular Formula":"C56H80I2N8O5","Molecular Weight":1199.1,"Monoisotopic Mass":1198.43411,Charge:0,"Easy Name":"GelGreen","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C56H80I2N8O5"},11953895:{PUBCHEM:{CID:"11953895","Compound Complexity":119,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;iron(4+);nitroxyl anion;pentacyanide;dihydrate","IUPAC Name CAS-like Style":"Disodium;iron(4+);nitroxyl anion;pentacyanide;dihydrate","IUPAC Name Markup":"Disodium;iron(4+);nitroxyl anion;pentacyanide;dihydrate","IUPAC Name Preferred":"Disodium;iron(4+);nitroxyl anion;pentacyanide;dihydrate","IUPAC Name Systematic":"Disodium;iron(4+);oxoazanide;pentacyanide;dihydrate","IUPAC Name Traditional":"Disodium;iron(4+);nitroxyl anion;pentacyanide;dihydrate",InChI:"1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+4;-1;2*+1;;",InChIKey:"XRKMNJXYOFSTBE-UHFFFAOYSA-N","Exact Mass":297.948962,"Molecular Formula":"C5H4FeN6Na2O3","Molecular Weight":297.95,"Monoisotopic Mass":297.948962,Charge:0,"Easy Name":"Sodium nitroprusside","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C5Fe1H4N6Na2O3"},11954193:{PUBCHEM:{CID:"11954193","Compound Complexity":564,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(1S,6S,13S)-6-isopropenyl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol","IUPAC Name CAS-like Style":"(1S,6S,13S)-6-(1-methylethenyl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]eicosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol","IUPAC Name Markup":"(1S,6S,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol","IUPAC Name Preferred":"(1S,6S,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol","IUPAC Name Systematic":"(1S,6S,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol","IUPAC Name Traditional":"(1S,6S,13S)-6-isopropenyl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]eicosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol",InChI:"1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1",InChIKey:"MIYTVBARXCVVHZ-RYGJVYDSSA-N","Log P":2.9,"Exact Mass":338.11542368,"Molecular Formula":"C20H18O5","Molecular Weight":338.4,"Monoisotopic Mass":338.11542368,Charge:0,"Easy Name":"Glyceollin III","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C20H18O5"},11955372:{PUBCHEM:{CID:"11955372","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromous;sulfide","IUPAC Name CAS-like Style":"Chromium(2+);sulfide","IUPAC Name Markup":"Chromium(2+);sulfide","IUPAC Name Preferred":"Chromium(2+);sulfide","IUPAC Name Systematic":"Chromium(2+);sulfide","IUPAC Name Traditional":"Chromous;sulfide",InChI:"1S/Cr.S/q+2;-2",InChIKey:"LXEAUGDQDABWTN-UHFFFAOYSA-N","Exact Mass":83.912576,"Molecular Formula":"CrS","Molecular Weight":84.06,"Monoisotopic Mass":83.912576,Charge:0,"Easy Name":"Chromium (2+) sulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cr1S1"},11956646:{PUBCHEM:{CID:"11956646","Compound Complexity":672,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":5,"Rotatable Bond":4,"IUPAC Name Allowed":"N,N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;trihydrochloride","IUPAC Name CAS-like Style":"N,N-dimethyl-4-[6-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;trihydrochloride","IUPAC Name Markup":"N,N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;trihydrochloride","IUPAC Name Preferred":"N,N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;trihydrochloride","IUPAC Name Systematic":"N,N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;trihydrochloride","IUPAC Name Traditional":"Dimethyl-[4-[6-[6-(4-methylpiperazino)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenyl]amine;trihydrochloride",InChI:"1S/C27H29N7.3ClH/c1-32(2)20-7-4-18(5-8-20)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-9-21(17-25(23)31-27)34-14-12-33(3)13-15-34;;;/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)(H,29,31);3*1H",InChIKey:"IPMZLKUUQSFUTA-UHFFFAOYSA-N","Exact Mass":559.178477,"Molecular Formula":"C27H32Cl3N7","Molecular Weight":560.9,"Monoisotopic Mass":559.178477,Charge:0,"Easy Name":"Hoechst 34580","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C27Cl3H32N7"},11960345:{PUBCHEM:{CID:"11960345","Compound Complexity":194,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;sulfonato sulfate","IUPAC Name CAS-like Style":"Diammonium;sulfonato sulfate","IUPAC Name Markup":"Diazanium;sulfonato sulfate","IUPAC Name Preferred":"Diazanium;sulfonato sulfate","IUPAC Name Systematic":"Diazanium;sulfonato sulfate","IUPAC Name Traditional":"Diammonium;sulfonato sulfate",InChI:"1S/2H3N.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)",InChIKey:"OYLGLPVAKCEIKU-UHFFFAOYSA-N","Exact Mass":211.97729295,"Molecular Formula":"H8N2O7S2","Molecular Weight":212.21,"Monoisotopic Mass":211.97729295,Charge:0,"Easy Name":"Diammonium disulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H8N2O7S2"},11963580:{PUBCHEM:{CID:"11963580","Compound Complexity":127,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrapotassium;iron(6+);hexacyanide","IUPAC Name CAS-like Style":"Tetrapotassium;iron(6+);hexacyanide","IUPAC Name Markup":"Tetrapotassium;iron(6+);hexacyanide","IUPAC Name Preferred":"Tetrapotassium;iron(6+);hexacyanide","IUPAC Name Systematic":"Tetrapotassium;iron(6+);hexacyanide","IUPAC Name Traditional":"Tetrapotassium;iron(6+);hexacyanide",InChI:"1S/6CN.Fe.4K/c6*1-2;;;;;/q6*-1;+6;4*+1",InChIKey:"AWDBHOZBRXWRKS-UHFFFAOYSA-N","Exact Mass":367.808206,"Molecular Formula":"C6FeK4N6+4","Molecular Weight":368.34,"Monoisotopic Mass":367.808206,Charge:4,"Easy Name":"Potassium ferrocyanide","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"+4C6Fe1K4N6"},11968241:{PUBCHEM:{CID:"11968241","Compound Complexity":286,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":2,InChI:"1S/8O.3U",InChIKey:"IQWPWKFTJFECBS-UHFFFAOYSA-N","Exact Mass":842.11168,"Molecular Formula":"O8U3","Molecular Weight":842.08,"Monoisotopic Mass":842.11168,Charge:0,"Easy Name":"Triuranium octoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O8U3"},11969527:{PUBCHEM:{CID:"11969527","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicopper;chloride;trihydroxide","IUPAC Name CAS-like Style":"Dicopper;chloride;trihydroxide","IUPAC Name Markup":"Dicopper;chloride;trihydroxide","IUPAC Name Preferred":"Dicopper;chloride;trihydroxide","IUPAC Name Systematic":"Dicopper;chloride;trihydroxide","IUPAC Name Traditional":"Dicupric;chloride;trihydroxide",InChI:"1S/ClH.2Cu.3H2O/h1H;;;3*1H2/q;2*+2;;;/p-4",InChIKey:"SKQUUKNCBWILCD-UHFFFAOYSA-J","Exact Mass":211.836266,"Molecular Formula":"ClCu2H3O3","Molecular Weight":213.57,"Monoisotopic Mass":211.836266,Charge:0,"Easy Name":"Copper oxychloride","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"GREEN, ORTHORHOMBIC CRYSTALS"},Density:{Value:"3.76-3.78"},Solubility:{Value:"Practically insol in water; less than 0.00001 mg/l (pH 7 at 20 °C); insoluble in organic solvents, soluble in dilute acids, forming copper(II) salts, soluble in ammonium hydroxide, forming complex ion."},Uses:{Value:"For Copper chloride hydroxide (USEPA/OPP Pesticide Code: 023501) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cl1Cu2H3O3"},11969548:{PUBCHEM:{CID:"11969548","Compound Complexity":1100,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":3,"Rotatable Bond":8,"IUPAC Name Allowed":"(2R,3S,10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone","IUPAC Name CAS-like Style":"(2R,3S,10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone","IUPAC Name Markup":"(2R,3S,10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone","IUPAC Name Preferred":"(2R,3S,10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone","IUPAC Name Systematic":"(2R,3S,10S)-2-oxidanyl-3-[(1R)-1-oxidanylheptyl]-10-[(S)-oxidanyl-[(2S)-6-oxidanylidene-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone","IUPAC Name Traditional":"(2R,3S,10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-keto-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-diquinone",InChI:"1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1",InChIKey:"ZJTBTDVZNGBSNG-RETZLTROSA-N","Log P":2,"Exact Mass":518.17881178,"Molecular Formula":"C26H30O11","Molecular Weight":518.5,"Monoisotopic Mass":518.17881178,Charge:0,"Easy Name":"Rubratoxin B","Easy Category":"Lactone"},HSDB:{"Color And Form":{Value:"CRYSTALIZES FROM DIETHYL ETHER AS ROSETTES OF NEEDLES; FROM BENZENE & ETHYL ACETATE AS LONG LATHES; HEXAGONAL PLATES FROM AMYL ACETATE"},"Melting Point":{Value:"168-170 °C (dec.)"}},ReducedFormula:"C26H30O11"},11970367:{PUBCHEM:{CID:"11970367","Compound Complexity":7.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;formate","IUPAC Name CAS-like Style":"Silver;formate","IUPAC Name Markup":"Silver;formate","IUPAC Name Preferred":"Silver;formate","IUPAC Name Systematic":"Silver;methanoate","IUPAC Name Traditional":"Silver;formate",InChI:"1S/CH2O2.Ag/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",InChIKey:"FTNNQMMAOFBTNJ-UHFFFAOYSA-M","Exact Mass":151.90275,"Molecular Formula":"CHAgO2","Molecular Weight":152.886,"Monoisotopic Mass":151.90275,Charge:0,"Easy Name":"Silver formate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Ag1C1H1O2"},11984615:{PUBCHEM:{CID:"11984615","Compound Complexity":10.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxido(oxo)ammonium;chloride","IUPAC Name CAS-like Style":"Oxido(oxo)ammonium;chloride","IUPAC Name Markup":"Oxido(oxo)azanium;chloride","IUPAC Name Preferred":"Oxido(oxo)azanium;chloride","IUPAC Name Systematic":"Oxidanidyl(oxidanylidene)azanium;chloride","IUPAC Name Traditional":"Keto(oxido)ammonium;chloride",InChI:"1S/ClH.HNO2/c;2-1-3/h1H;1H/p-1",InChIKey:"HSSFHZJIMRUXDM-UHFFFAOYSA-M","Exact Mass":81.969581,"Molecular Formula":"ClHNO2-","Molecular Weight":82.47,"Monoisotopic Mass":81.969581,Charge:-1,"Easy Name":"Nitryl Chloride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-1Cl1H1N1O2"},11988275:{PUBCHEM:{CID:"11988275","Compound Complexity":180,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclotetradecaheptaene","IUPAC Name CAS-like Style":"Cyclotetradecaheptaene","IUPAC Name Markup":"Cyclotetradecaheptaene","IUPAC Name Preferred":"Cyclotetradecaheptaene","IUPAC Name Systematic":"Cyclotetradecaheptaene","IUPAC Name Traditional":"Cyclotetradecaheptaene",InChI:"1S/C14H14/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H",InChIKey:"RYQWRHUSMUEYST-UHFFFAOYSA-N","Log P":4.7,"Exact Mass":182.10955045,"Molecular Formula":"C14H14","Molecular Weight":182.26,"Monoisotopic Mass":182.10955045,Charge:0,"Easy Name":"Cyclotetradecaheptaene","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C14H14"},12003287:{PUBCHEM:{CID:"12003287","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(3S,4R,5S,6S)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(3S,4R,5S,6S)-6-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m0/s1",InChIKey:"WQZGKKKJIJFFOK-DHVFOXMCSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"L-Galactose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},12003646:{PUBCHEM:{CID:"12003646","Compound Complexity":35.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,1-dibromopentane","IUPAC Name CAS-like Style":"1,1-dibromopentane","IUPAC Name Markup":"1,1-dibromopentane","IUPAC Name Preferred":"1,1-dibromopentane","IUPAC Name Systematic":"1,1-bis(bromanyl)pentane","IUPAC Name Traditional":"1,1-dibromopentane",InChI:"1S/C5H10Br2/c1-2-3-4-5(6)7/h5H,2-4H2,1H3",InChIKey:"QBLPUSMNBSNAHZ-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":229.91288,"Molecular Formula":"C5H10Br2","Molecular Weight":229.94,"Monoisotopic Mass":227.91493,Charge:0,"Easy Name":"1, 1-dibromopentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"Br2C5H10"},12063257:{PUBCHEM:{CID:"12063257","Compound Complexity":216,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"2-(4-butylsulfanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-[4-(butylthio)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Markup":"2-(4-butylsulfanyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-butylsulfanyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-butylsulfanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-[4-(butylthio)-2,5-dimethoxy-phenyl]ethylamine",InChI:"1S/C14H23NO2S/c1-4-5-8-18-14-10-12(16-2)11(6-7-15)9-13(14)17-3/h9-10H,4-8,15H2,1-3H3",InChIKey:"LGUVDOBGXUFUAJ-UHFFFAOYSA-N","Log P":3,"Exact Mass":269.14495016,"Molecular Formula":"C14H23NO2S","Molecular Weight":269.4,"Monoisotopic Mass":269.14495016,Charge:0,"Easy Name":"2C-T-19","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C14H23N1O2S1"},12063400:{PUBCHEM:{CID:"12063400","Compound Complexity":233,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-(4-ethynyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(4-ethynyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Markup":"2-(4-ethynyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-ethynyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-ethynyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-(4-ethynyl-2,5-dimethoxy-phenyl)ethylamine",InChI:"1S/C12H15NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h1,7-8H,5-6,13H2,2-3H3",InChIKey:"MLJHHYIJBZVUEA-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":205.11027873,"Molecular Formula":"C12H15NO2","Molecular Weight":205.25,"Monoisotopic Mass":205.11027873,Charge:0,"Easy Name":"2C-YN","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12H15N1O2"},12074193:{PUBCHEM:{CID:"12074193","Compound Complexity":192,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"2-(4-ethylsulfanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-[4-(ethylthio)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Markup":"2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-ethylsulfanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-[4-(ethylthio)-2,5-dimethoxy-phenyl]ethylamine",InChI:"1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3",InChIKey:"HCWQGDLBIKOJPM-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":241.11365003,"Molecular Formula":"C12H19NO2S","Molecular Weight":241.35,"Monoisotopic Mass":241.11365003,Charge:0,"Easy Name":"2C-T-2","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12H19N1O2S1"},12130759:{PUBCHEM:{CID:"12130759","Compound Complexity":6.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;azanidylidenezinc","IUPAC Name CAS-like Style":"Zinc;azanidylidenezinc","IUPAC Name Markup":"Zinc;azanidylidenezinc","IUPAC Name Preferred":"Zinc;azanidylidenezinc","IUPAC Name Systematic":"Zinc;azanidylidenezinc","IUPAC Name Traditional":"Zinc;amidylidenezinc",InChI:"1S/2N.3Zn/q2*-1;;;+2",InChIKey:"AKJVMGQSGCSQBU-UHFFFAOYSA-N","Exact Mass":221.79047,"Molecular Formula":"N2Zn3","Molecular Weight":224.2,"Monoisotopic Mass":219.79357,Charge:0,"Easy Name":"Zinc nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"N2Zn3"},12182421:{PUBCHEM:{CID:"12182421","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4S,5S)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4S,5S)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5-/m0/s1",InChIKey:"HMFHBZSHGGEWLO-QTBDOELSSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Β-L-Xylofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},12199014:{PUBCHEM:{CID:"12199014","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"N-methylmethanamine;hydrobromide","IUPAC Name CAS-like Style":"N-methylmethanamine;hydrobromide","IUPAC Name Markup":"N-methylmethanamine;hydrobromide","IUPAC Name Preferred":"N-methylmethanamine;hydrobromide","IUPAC Name Systematic":"N-methylmethanamine;hydrobromide","IUPAC Name Traditional":"Dimethylamine;hydrobromide",InChI:"1S/C2H7N.BrH/c1-3-2;/h3H,1-2H3;1H",InChIKey:"FFJMLWSZNCJCSZ-UHFFFAOYSA-N","Exact Mass":124.98401,"Molecular Formula":"C2H8BrN","Molecular Weight":126,"Monoisotopic Mass":124.98401,Charge:0,"Easy Name":"Dimethylamine hydrobromide","Easy Category":"Amine"},HSDB:{},ReducedFormula:"Br1C2H8N1"},12205453:{PUBCHEM:{CID:"12205453","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Titanium(2+);dihydroxide","IUPAC Name CAS-like Style":"Titanium(2+);dihydroxide","IUPAC Name Markup":"Titanium(2+);dihydroxide","IUPAC Name Preferred":"Titanium(2+);dihydroxide","IUPAC Name Systematic":"Titanium(2+);dihydroxide","IUPAC Name Traditional":"Titanium(2+);dihydroxide",InChI:"1S/2H2O.Ti/h2*1H2;/q;;+2/p-2",InChIKey:"RCFVAODLMSHDAW-UHFFFAOYSA-L","Exact Mass":81.95342,"Molecular Formula":"H2O2Ti","Molecular Weight":81.88,"Monoisotopic Mass":81.95342,Charge:0,"Easy Name":"Titanium (II) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2O2Ti1"},12228454:{PUBCHEM:{CID:"12228454","Compound Complexity":20.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R)-1,2-dibromopropane","IUPAC Name CAS-like Style":"(2R)-1,2-dibromopropane","IUPAC Name Markup":"(2R)-1,2-dibromopropane","IUPAC Name Preferred":"(2R)-1,2-dibromopropane","IUPAC Name Systematic":"(2R)-1,2-bis(bromanyl)propane","IUPAC Name Traditional":"(2R)-1,2-dibromopropane",InChI:"1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m1/s1",InChIKey:"XFNJYAKDBJUJAJ-GSVOUGTGSA-N","Log P":2.2,"Exact Mass":201.88158,"Molecular Formula":"C3H6Br2","Molecular Weight":201.89,"Monoisotopic Mass":199.88363,Charge:0,"Easy Name":" (R)-1, 2-Dibromopropane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C3H6"},12236140:{PUBCHEM:{CID:"12236140","Compound Complexity":19.6,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S)-2-bromobutane","IUPAC Name CAS-like Style":"(2S)-2-bromobutane","IUPAC Name Markup":"(2S)-2-bromobutane","IUPAC Name Preferred":"(2S)-2-bromobutane","IUPAC Name Systematic":"(2S)-2-bromanylbutane","IUPAC Name Traditional":"(2S)-2-bromobutane",InChI:"1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3/t4-/m0/s1",InChIKey:"UPSXAPQYNGXVBF-BYPYZUCNSA-N","Log P":2.3,"Exact Mass":135.98876,"Molecular Formula":"C4H9Br","Molecular Weight":137.02,"Monoisotopic Mass":135.98876,Charge:0,"Easy Name":" (2S)-2-bromobutane","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C4H9"},12304112:{PUBCHEM:{CID:"12304112","Compound Complexity":329,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"4-methoxy-1,3-benzodioxole-5,6-dicarboxylic acid","IUPAC Name CAS-like Style":"4-methoxy-1,3-benzodioxole-5,6-dicarboxylic acid","IUPAC Name Markup":"4-methoxy-1,3-benzodioxole-5,6-dicarboxylic acid","IUPAC Name Preferred":"4-methoxy-1,3-benzodioxole-5,6-dicarboxylic acid","IUPAC Name Systematic":"4-methoxy-1,3-benzodioxole-5,6-dicarboxylic acid","IUPAC Name Traditional":"4-methoxy-1,3-benzodioxole-5,6-dicarboxylic acid",InChI:"1S/C10H8O7/c1-15-8-6(10(13)14)4(9(11)12)2-5-7(8)17-3-16-5/h2H,3H2,1H3,(H,11,12)(H,13,14)",InChIKey:"KRFPWKWNPJEPMG-UHFFFAOYSA-N","Log P":.8,"Exact Mass":240.0270026,"Molecular Formula":"C10H8O7","Molecular Weight":240.17,"Monoisotopic Mass":240.0270026,Charge:0,"Easy Name":"Cotarnic acid","Easy Category":"Heterocyclic compounds (2 rings)"},HSDB:{},ReducedFormula:"C10H8O7"},12304687:{PUBCHEM:{CID:"12304687","Compound Complexity":615,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"[(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","IUPAC Name CAS-like Style":"(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]-1-cyclopent-2-enyl] ester","IUPAC Name Markup":"[(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate","IUPAC Name Preferred":"[(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate","IUPAC Name Systematic":"[(1S)-2-methyl-4-oxidanylidene-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate","IUPAC Name Traditional":"(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid [(1S)-4-keto-2-methyl-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] ester",InChI:"1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1",InChIKey:"NZKIRHFOLVYKFT-VUMXUWRFSA-N","Log P":5.4,"Exact Mass":330.21949483,"Molecular Formula":"C21H30O3","Molecular Weight":330.5,"Monoisotopic Mass":330.21949483,Charge:0,"Easy Name":"Jasmolin I","Easy Category":"Pyrethrin"},HSDB:{},ReducedFormula:"C21H30O3"},12304690:{PUBCHEM:{CID:"12304690","Compound Complexity":723,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"[(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate","IUPAC Name CAS-like Style":"(1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]-1-cyclopent-2-enyl] ester","IUPAC Name Markup":"[(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Preferred":"[(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate","IUPAC Name Systematic":"[(1S)-2-methyl-4-oxidanylidene-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate","IUPAC Name Traditional":"(1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid [(1S)-4-keto-2-methyl-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] ester",InChI:"1S/C22H30O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1",InChIKey:"WKNSDDMJXANVMK-XIGJTORUSA-N","Log P":4.5,"Exact Mass":374.20932407,"Molecular Formula":"C22H30O5","Molecular Weight":374.5,"Monoisotopic Mass":374.20932407,Charge:0,"Easy Name":"Jasmolin II","Easy Category":"Pyrethrin"},HSDB:{},ReducedFormula:"C22H30O5"},12306012:{PUBCHEM:{CID:"12306012","Compound Complexity":162,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1",InChIKey:"RFSUNEUAIZKAJO-VANKVMQKSA-N","Log P":-2.3,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Tagatofuranose","Easy Category":"Ketohexoses"},HSDB:{},ReducedFormula:"C6H12O6"},12306013:{PUBCHEM:{CID:"12306013","Compound Complexity":162,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4+,5+,6-/m1/s1",InChIKey:"RFSUNEUAIZKAJO-DPYQTVNSSA-N","Log P":-2.3,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Tagatofuranose","Easy Category":"Ketohexoses"},HSDB:{},ReducedFormula:"C6H12O6"},12306040:{PUBCHEM:{CID:"12306040","Compound Complexity":1160,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2Z)-7-amino-8-(2,4-dihydroxy-6-methyl-phenyl)-2-(2-hydroxy-6-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,9-dimethyl-10H-phenoxazin-3-one","IUPAC Name CAS-like Style":"(2Z)-7-amino-8-(2,4-dihydroxy-6-methylphenyl)-2-(2-hydroxy-6-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1,9-dimethyl-10H-phenoxazin-3-one","IUPAC Name Markup":"(2Z)-7-amino-8-(2,4-dihydroxy-6-methylphenyl)-2-(2-hydroxy-6-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,9-dimethyl-10H-phenoxazin-3-one","IUPAC Name Preferred":"(2Z)-7-amino-8-(2,4-dihydroxy-6-methylphenyl)-2-(2-hydroxy-6-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,9-dimethyl-10H-phenoxazin-3-one","IUPAC Name Systematic":"(2Z)-7-azanyl-1,9-dimethyl-8-[2-methyl-4,6-bis(oxidanyl)phenyl]-2-(2-methyl-6-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-10H-phenoxazin-3-one","IUPAC Name Traditional":"(2Z)-7-amino-8-(2,4-dihydroxy-6-methyl-phenyl)-2-(2-hydroxy-4-keto-6-methyl-cyclohexa-2,5-dien-1-ylidene)-1,9-dimethyl-10H-phenoxazin-3-one",InChI:"1S/C28H24N2O6/c1-11-5-15(31)7-18(33)23(11)25-13(3)27-21(9-17(25)29)36-22-10-20(35)26(14(4)28(22)30-27)24-12(2)6-16(32)8-19(24)34/h5-10,30-31,33-34H,29H2,1-4H3/b26-24-",InChIKey:"CQIPNFIAUAAUAT-LCUIJRPUSA-N","Log P":2.4,"Exact Mass":484.1634365,"Molecular Formula":"C28H24N2O6","Molecular Weight":484.5,"Monoisotopic Mass":484.1634365,Charge:0,"Easy Name":"Β-amino orcein","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C28H24N2O6"},12308816:{PUBCHEM:{CID:"12308816","Compound Complexity":520,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,2S,5R,9S,10S,13R)-19-hydroxy-5-methyl-16-azapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-7-one","IUPAC Name CAS-like Style":"(1R,2S,5R,9S,10S,13R)-19-hydroxy-5-methyl-16-azapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-7-one","IUPAC Name Markup":"(1R,2S,5R,9S,10S,13R)-19-hydroxy-5-methyl-16-azapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-7-one","IUPAC Name Preferred":"(1R,2S,5R,9S,10S,13R)-19-hydroxy-5-methyl-16-azapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-7-one","IUPAC Name Systematic":"(1R,2S,5R,9S,10S,13R)-5-methyl-19-oxidanyl-16-azapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-7-one","IUPAC Name Traditional":"(1R,2S,5R,9S,10S,13R)-19-hydroxy-5-methyl-16-azapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-7-one",InChI:"1S/C19H29NO2/c1-18-6-4-15-14(16(18)10-13(21)11-18)3-2-12-5-8-20-9-7-19(12,15)17(20)22/h12,14-17,22H,2-11H2,1H3/t12-,14-,15+,16+,17?,18-,19-/m1/s1",InChIKey:"LRUMKNAUAUCYRL-SETHQWEZSA-N","Log P":3,"Exact Mass":303.21982918,"Molecular Formula":"C19H29NO2","Molecular Weight":303.4,"Monoisotopic Mass":303.21982918,Charge:0,"Easy Name":"Cycloneosamandione","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C19H29N1O2"},12312598:{PUBCHEM:{CID:"12312598","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4R,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4R,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4R,5R)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4+,5+/m1/s1",InChIKey:"HMFHBZSHGGEWLO-STGXQOJASA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-D-Lyxofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},12312599:{PUBCHEM:{CID:"12312599","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R,4S,5S)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3R,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3R,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3R,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3R,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3R,4S,5S)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4+,5+/m0/s1",InChIKey:"HMFHBZSHGGEWLO-NRXMZTRTSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Α-L-Lyxofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},12312600:{PUBCHEM:{CID:"12312600","Compound Complexity":117,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3R,4S,5S)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3R,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3R,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3R,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3R,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3R,4S,5S)-5-methyloltetrahydrofuran-2,3,4-triol",InChI:"1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4+,5-/m0/s1",InChIKey:"HMFHBZSHGGEWLO-RSJOWCBRSA-N","Log P":-2,"Exact Mass":150.05282342,"Molecular Formula":"C5H10O5","Molecular Weight":150.13,"Monoisotopic Mass":150.05282342,Charge:0,"Easy Name":"Β-L-Lyxofuranose","Easy Category":"Aldopentoses"},HSDB:{},ReducedFormula:"C5H10O5"},12313776:{PUBCHEM:{CID:"12313776","Compound Complexity":85.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2H-oxazine","IUPAC Name CAS-like Style":"2H-oxazine","IUPAC Name Markup":"2H-oxazine","IUPAC Name Preferred":"2H-oxazine","IUPAC Name Systematic":"2H-1,2-oxazine","IUPAC Name Traditional":"2H-oxazine",InChI:"1S/C4H5NO/c1-2-4-6-5-3-1/h1-5H",InChIKey:"BCHZICNRHXRCHY-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":83.037113785,"Molecular Formula":"C4H5NO","Molecular Weight":83.09,"Monoisotopic Mass":83.037113785,Charge:0,"Easy Name":"2H-oxazine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H5N1O1"},12314983:{PUBCHEM:{CID:"12314983","Compound Complexity":352,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"5-[(2R,3S)-3,7-dihydroxychroman-2-yl]benzene-1,2,3-triol","IUPAC Name CAS-like Style":"5-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]benzene-1,2,3-triol","IUPAC Name Markup":"5-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]benzene-1,2,3-triol","IUPAC Name Preferred":"5-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]benzene-1,2,3-triol","IUPAC Name Systematic":"5-[(2R,3S)-3,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,2,3-triol","IUPAC Name Traditional":"5-[(2R,3S)-3,7-dihydroxychroman-2-yl]pyrogallol",InChI:"1S/C15H14O6/c16-9-2-1-7-3-12(19)15(21-13(7)6-9)8-4-10(17)14(20)11(18)5-8/h1-2,4-6,12,15-20H,3H2/t12-,15+/m0/s1",InChIKey:"GMPPKSLKMRADRM-SWLSCSKDSA-N","Log P":.4,"Exact Mass":290.07903817,"Molecular Formula":"C15H14O6","Molecular Weight":290.27,"Monoisotopic Mass":290.07903817,Charge:0,"Easy Name":"Robinetinidol","Easy Category":"Flavonoid"},HSDB:{},ReducedFormula:"C15H14O6"},12315228:{PUBCHEM:{CID:"12315228","Compound Complexity":520,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,2S,3S,6R,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one","IUPAC Name CAS-like Style":"(1R,2S,3S,6R,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one","IUPAC Name Markup":"(1R,2S,3S,6R,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one","IUPAC Name Preferred":"(1R,2S,3S,6R,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one","IUPAC Name Systematic":"(1R,2S,3S,6R,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one","IUPAC Name Traditional":"(1R,2S,3S,6R,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one",InChI:"1S/C19H29NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11,13-17,20H,3-10H2,1-2H3/t11-,13-,14+,15+,16+,17+,18-,19+/m1/s1",InChIKey:"XWTQFFNBWQHSFL-ZZOJTZHCSA-N","Log P":3.3,"Exact Mass":303.21982918,"Molecular Formula":"C19H29NO2","Molecular Weight":303.4,"Monoisotopic Mass":303.21982918,Charge:0,"Easy Name":"Samandarone","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C19H29N1O2"},12315231:{PUBCHEM:{CID:"12315231","Compound Complexity":410,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"(1S,2S,8R,11S,12S,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol","IUPAC Name CAS-like Style":"(1S,2S,8R,11S,12S,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol","IUPAC Name Markup":"(1S,2S,8R,11S,12S,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol","IUPAC Name Preferred":"(1S,2S,8R,11S,12S,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol","IUPAC Name Systematic":"(1S,2S,8R,11S,12S,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol","IUPAC Name Traditional":"(1S,2S,8R,11S,12S,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol",InChI:"1S/C19H33NO/c1-18-7-5-16-15(17(18)11-14(21)12-18)4-3-13-6-9-20-10-8-19(13,16)2/h13-17,20-21H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+/m1/s1",InChIKey:"SWERVVWWNZOXPV-TVRUUFEMSA-N","Log P":4.2,"Exact Mass":291.25621469,"Molecular Formula":"C19H33NO","Molecular Weight":291.5,"Monoisotopic Mass":291.25621469,Charge:0,"Easy Name":"Samanine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C19H33N1O1"},12315927:{PUBCHEM:{CID:"12315927","Compound Complexity":180,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-(2,5-dimethoxy-4-methylsulfanyl-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-[2,5-dimethoxy-4-(methylthio)phenyl]ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxy-4-methylsulfanyl-phenyl)ethanamine","IUPAC Name Traditional":"2-[2,5-dimethoxy-4-(methylthio)phenyl]ethylamine",InChI:"1S/C11H17NO2S/c1-13-9-7-11(15-3)10(14-2)6-8(9)4-5-12/h6-7H,4-5,12H2,1-3H3",InChIKey:"UPZMYCMLLQTYEM-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":227.09799997,"Molecular Formula":"C11H17NO2S","Molecular Weight":227.33,"Monoisotopic Mass":227.09799997,Charge:0,"Easy Name":"2C-T","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C11H17N1O2S1"},12338919:{PUBCHEM:{CID:"12338919","Compound Complexity":244,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(5-methoxy-7-methyl-1H-indol-3-yl)-N,N-dimethyl-ethanamine","IUPAC Name CAS-like Style":"2-(5-methoxy-7-methyl-1H-indol-3-yl)-N,N-dimethylethanamine","IUPAC Name Markup":"2-(5-methoxy-7-methyl-1H-indol-3-yl)-N,N-dimethylethanamine","IUPAC Name Preferred":"2-(5-methoxy-7-methyl-1H-indol-3-yl)-N,N-dimethylethanamine","IUPAC Name Systematic":"2-(5-methoxy-7-methyl-1H-indol-3-yl)-N,N-dimethyl-ethanamine","IUPAC Name Traditional":"2-(5-methoxy-7-methyl-1H-indol-3-yl)ethyl-dimethyl-amine",InChI:"1S/C14H20N2O/c1-10-7-12(17-4)8-13-11(5-6-16(2)3)9-15-14(10)13/h7-9,15H,5-6H2,1-4H3",InChIKey:"YGAOMGVUIWNFMD-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":232.15756327,"Molecular Formula":"C14H20N2O","Molecular Weight":232.32,"Monoisotopic Mass":232.15756327,Charge:0,"Easy Name":"2- (5-Methoxy-7-methyl-1H-indol-3-yl)-N, N-dimethylethanamine","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C14H20N2O1"},12413271:{PUBCHEM:{CID:"12413271","Compound Complexity":80.7,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;dithiocyanate","IUPAC Name CAS-like Style":"Calcium;dithiocyanate","IUPAC Name Markup":"Calcium;dithiocyanate","IUPAC Name Preferred":"Calcium;dithiocyanate","IUPAC Name Systematic":"Calcium;dithiocyanate","IUPAC Name Traditional":"Calcium;dithiocyanate",InChI:"1S/2CHNS.Ca/c2*2-1-3;/h2*3H;/q;;+2/p-2",InChIKey:"RLDQYSHDFVSAPL-UHFFFAOYSA-L","Exact Mass":155.9128812,"Molecular Formula":"C2CaN2S2","Molecular Weight":156.2,"Monoisotopic Mass":155.9128812,Charge:0,"Easy Name":"Calcium Thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C2Ca1N2S2"},12444286:{PUBCHEM:{CID:"12444286","Compound Complexity":106,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thiepine","IUPAC Name CAS-like Style":"Thiepin","IUPAC Name Markup":"Thiepine","IUPAC Name Preferred":"Thiepine","IUPAC Name Systematic":"Thiepine","IUPAC Name Traditional":"Thiepin",InChI:"1S/C6H6S/c1-2-4-6-7-5-3-1/h1-6H",InChIKey:"BISQTCXKVNCDDA-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":110.01902137,"Molecular Formula":"C6H6S","Molecular Weight":110.18,"Monoisotopic Mass":110.01902137,Charge:0,"Easy Name":"Thiepine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C6H6S1"},12476329:{PUBCHEM:{CID:"12476329","Compound Complexity":95.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;benzene","IUPAC Name CAS-like Style":"Silver;benzene","IUPAC Name Markup":"Silver;benzene","IUPAC Name Preferred":"Silver;benzene","IUPAC Name Systematic":"Silver;benzene","IUPAC Name Traditional":"Silver;benzene",InChI:"1S/C6H5.Ag/c1-2-4-6-5-3-1;/h1-5H;/q-1;+1",InChIKey:"APUVPJCKRFJPND-UHFFFAOYSA-N","Exact Mass":183.94422,"Molecular Formula":"C6H5Ag","Molecular Weight":184.97,"Monoisotopic Mass":183.94422,Charge:0,"Easy Name":"Phenylsilver","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"Ag1C6H5"},12624732:{PUBCHEM:{CID:"12624732","Compound Complexity":15.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloromethanone;gold(1+)","IUPAC Name CAS-like Style":"Chloromethanone;gold(1+)","IUPAC Name Markup":"Chloromethanone;gold(1+)","IUPAC Name Preferred":"Chloromethanone;gold(1+)","IUPAC Name Systematic":"Chloranylmethanone;gold(1+)","IUPAC Name Traditional":"Chloromethanone;gold(1+)",InChI:"1S/CClO.Au/c2-1-3;/q-1;+1",InChIKey:"GTLIHFWOYWDOMK-UHFFFAOYSA-N","Exact Mass":259.930337,"Molecular Formula":"CAuClO","Molecular Weight":260.43,"Monoisotopic Mass":259.930337,Charge:0,"Easy Name":"Chloromethanone;gold (1+)","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"Au1C1Cl1O1"},12956798:{PUBCHEM:{CID:"12956798","Compound Complexity":106,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Acetyl propanoate","IUPAC Name CAS-like Style":"Propanoic acid acetyl ester","IUPAC Name Markup":"Acetyl propanoate","IUPAC Name Preferred":"Acetyl propanoate","IUPAC Name Systematic":"Ethanoyl propanoate","IUPAC Name Traditional":"Propionic acid acetyl ester",InChI:"1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3",InChIKey:"KLUDQUOLAFVLOL-UHFFFAOYSA-N","Log P":.4,"Exact Mass":116.047344117,"Molecular Formula":"C5H8O3","Molecular Weight":116.11,"Monoisotopic Mass":116.047344117,Charge:0,"Easy Name":"Acetic propanoic anhydride","Easy Category":"Acid anhydride"},HSDB:{},ReducedFormula:"C5H8O3"},12961638:{PUBCHEM:{CID:"12961638","Compound Complexity":645,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;2',4',5',7'-tetraiodo-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name CAS-like Style":"Disodium;2',4',5',7'-tetraiodo-3-oxospiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name Markup":"Disodium;2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name Preferred":"Disodium;2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name Systematic":"Disodium;2',4',5',7'-tetrakis(iodanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate","IUPAC Name Traditional":"Disodium;2',4',5',7'-tetraiodo-3-keto-spiro[phthalan-1,9'-xanthene]-3',6'-diolate",InChI:"1S/C20H8I4O5.2Na/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h1-6,25-26H;;/q;2*+1/p-2",InChIKey:"RAGZEDHHTPQLAI-UHFFFAOYSA-L","Exact Mass":879.6189,"Molecular Formula":"C20H6I4Na2O5","Molecular Weight":879.9,"Monoisotopic Mass":879.6189,Charge:0,"Easy Name":"Erythrosine","Easy Category":"Organoiodine compound"},HSDB:{"Color And Form":{Value:"Brown powder"},Density:{Value:"0.8-1.0 kg/cu m (limit)"},"Melting Point":{Value:">250 °C"},Odor:{Value:"Odorless"},pH:{Value:"pH 7-9 in aqueous solution"},Solubility:{Value:"In water, 70 g/L at 20 °C"}},ReducedFormula:"C20H6I4Na2O5"},12984320:{PUBCHEM:{CID:"12984320","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Triiodorhenium","IUPAC Name CAS-like Style":"Triiodorhenium","IUPAC Name Markup":"Triiodorhenium","IUPAC Name Preferred":"Triiodorhenium","IUPAC Name Systematic":"Tris(iodanyl)rhenium","IUPAC Name Traditional":"Triiodorhenium",InChI:"1S/3HI.Re/h3*1H;/q;;;+3/p-3",InChIKey:"DDMQJDMHHOTHKW-UHFFFAOYSA-K","Exact Mass":567.6692,"Molecular Formula":"I3Re","Molecular Weight":566.92,"Monoisotopic Mass":567.6692,Charge:0,"Easy Name":"Rhenium (III) Iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I3Re1"},13010395:{PUBCHEM:{CID:"13010395","Compound Complexity":184,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"(2,3-dimethyl-4-phenyl-butyl)benzene","IUPAC Name CAS-like Style":"(2,3-dimethyl-4-phenylbutyl)benzene","IUPAC Name Markup":"(2,3-dimethyl-4-phenylbutyl)benzene","IUPAC Name Preferred":"(2,3-dimethyl-4-phenylbutyl)benzene","IUPAC Name Systematic":"(2,3-dimethyl-4-phenyl-butyl)benzene","IUPAC Name Traditional":"(2,3-dimethyl-4-phenyl-butyl)benzene",InChI:"1S/C18H22/c1-15(13-17-9-5-3-6-10-17)16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3",InChIKey:"FJBQYOWYDLEAKI-UHFFFAOYSA-N","Log P":5.7,"Exact Mass":238.17215071,"Molecular Formula":"C18H22","Molecular Weight":238.4,"Monoisotopic Mass":238.17215071,Charge:0,"Easy Name":" (2, 3-dimethyl-4-phenylbutyl)benzene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C18H22"},13047632:{PUBCHEM:{CID:"13047632","Compound Complexity":50,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"2,2-dibromopentane","IUPAC Name CAS-like Style":"2,2-dibromopentane","IUPAC Name Markup":"2,2-dibromopentane","IUPAC Name Preferred":"2,2-dibromopentane","IUPAC Name Systematic":"2,2-bis(bromanyl)pentane","IUPAC Name Traditional":"2,2-dibromopentane",InChI:"1S/C5H10Br2/c1-3-4-5(2,6)7/h3-4H2,1-2H3",InChIKey:"VTSZZPZLEFDFOF-UHFFFAOYSA-N","Log P":3.3,"Exact Mass":229.91288,"Molecular Formula":"C5H10Br2","Molecular Weight":229.94,"Monoisotopic Mass":227.91493,Charge:0,"Easy Name":"2, 2-dibromopentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"Br2C5H10"},13094115:{PUBCHEM:{CID:"13094115","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hafnium(4+);disulfate","IUPAC Name CAS-like Style":"Hafnium(4+);disulfate","IUPAC Name Markup":"Hafnium(4+);disulfate","IUPAC Name Preferred":"Hafnium(4+);disulfate","IUPAC Name Systematic":"Hafnium(4+);disulfate","IUPAC Name Traditional":"Hafnium(4+);disulfate",InChI:"1S/Hf.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+4;;/p-4",InChIKey:"NXKAMHRHVYEHER-UHFFFAOYSA-J","Exact Mass":371.85002,"Molecular Formula":"HfO8S2","Molecular Weight":370.6,"Monoisotopic Mass":371.85002,Charge:0,"Easy Name":"Hafnium (IV) sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Hf1O8S2"},13152769:{PUBCHEM:{CID:"13152769","Compound Complexity":27.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/FHO2S/c1-4(2)3/h(H,2,3)/p-1",InChIKey:"HMKJMFKGFGKCPL-UHFFFAOYSA-M","Log P":-.6,"Exact Mass":82.96030358,"Molecular Formula":"FO2S-","Molecular Weight":83.06,"Monoisotopic Mass":82.96030358,Charge:-1,"Easy Name":"Fluorosulfite","Easy Category":"Anion"},HSDB:{},ReducedFormula:"-1F1O2S1"},13152770:{PUBCHEM:{CID:"13152770","Compound Complexity":33,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,InChI:"1S/FHO2S/c1-4(2)3/h(H,2,3)",InChIKey:"HMKJMFKGFGKCPL-UHFFFAOYSA-N","Log P":0,"Exact Mass":83.96812861,"Molecular Formula":"FHO2S","Molecular Weight":84.07,"Monoisotopic Mass":83.96812861,Charge:0,"Easy Name":"Sulfurofluoridous acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"F1H1O2S1"},13338925:{PUBCHEM:{CID:"13338925","Compound Complexity":620,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"7,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,14,18,20-heptaen-6-ol","IUPAC Name CAS-like Style":"7,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]heneicosa-1(13),4,6,8,14,18,20-heptaen-6-ol","IUPAC Name Markup":"7,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,14,18,20-heptaen-6-ol","IUPAC Name Preferred":"7,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,14,18,20-heptaen-6-ol","IUPAC Name Systematic":"7,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,14,18,20-heptaen-6-ol","IUPAC Name Traditional":"7,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]heneicosa-1(13),4,6,8,14,18,20-heptaen-6-ol",InChI:"1S/C22H22O6/c1-22(2)6-5-11-16(28-22)9-18-19(20(11)25-4)21-13(10-26-18)12-7-17(24-3)14(23)8-15(12)27-21/h5-9,13,21,23H,10H2,1-4H3",InChIKey:"CEAWIMABVSITMV-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":382.14163843,"Molecular Formula":"C22H22O6","Molecular Weight":382.4,"Monoisotopic Mass":382.14163843,Charge:0,"Easy Name":"Desmodin","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C22H22O6"},13353137:{PUBCHEM:{CID:"13353137","Compound Complexity":199,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1-nitro-3-(tribromomethyl)benzene","IUPAC Name CAS-like Style":"1-nitro-3-(tribromomethyl)benzene","IUPAC Name Markup":"1-nitro-3-(tribromomethyl)benzene","IUPAC Name Preferred":"1-nitro-3-(tribromomethyl)benzene","IUPAC Name Systematic":"1-nitro-3-[tris(bromanyl)methyl]benzene","IUPAC Name Traditional":"1-nitro-3-(tribromomethyl)benzene",InChI:"1S/C7H4Br3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H",InChIKey:"PSWIHVGVWXIIOJ-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":372.77717,"Molecular Formula":"C7H4Br3NO2","Molecular Weight":373.82,"Monoisotopic Mass":370.77922,Charge:0,"Easy Name":"1-nitro-3- (tribromomethyl)benzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br3C7H4N1O2"},13555730:{PUBCHEM:{CID:"13555730","Compound Complexity":44,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"3,3-dibromopentane","IUPAC Name CAS-like Style":"3,3-dibromopentane","IUPAC Name Markup":"3,3-dibromopentane","IUPAC Name Preferred":"3,3-dibromopentane","IUPAC Name Systematic":"3,3-bis(bromanyl)pentane","IUPAC Name Traditional":"3,3-dibromopentane",InChI:"1S/C5H10Br2/c1-3-5(6,7)4-2/h3-4H2,1-2H3",InChIKey:"NTIGNJOEVBTPJJ-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":229.91288,"Molecular Formula":"C5H10Br2","Molecular Weight":229.94,"Monoisotopic Mass":227.91493,Charge:0,"Easy Name":"3, 3-dibromopentane","Easy Category":"Alkane"},HSDB:{},ReducedFormula:"Br2C5H10"},13628982:{PUBCHEM:{CID:"13628982","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicesium;oxalate","IUPAC Name CAS-like Style":"Dicesium;oxalate","IUPAC Name Markup":"Dicesium;oxalate","IUPAC Name Preferred":"Dicesium;oxalate","IUPAC Name Systematic":"Dicesium;ethanedioate","IUPAC Name Traditional":"Dicesium;oxalate",InChI:"1S/C2H2O4.2Cs/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",InChIKey:"HEQUOWMMDQTGCX-UHFFFAOYSA-L","Exact Mass":353.7905624,"Molecular Formula":"C2Cs2O4","Molecular Weight":353.83,"Monoisotopic Mass":353.7905624,Charge:0,"Easy Name":"Cesium Oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2Cs2O4"},13633097:{PUBCHEM:{CID:"13633097","Compound Complexity":265,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"2-chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1S)-2-methoxy-1-methyl-ethyl]acetamide","IUPAC Name CAS-like Style":"2-chloro-N-(2,4-dimethyl-3-thiophenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide","IUPAC Name Markup":"2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide","IUPAC Name Preferred":"2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide","IUPAC Name Systematic":"2-chloranyl-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]ethanamide","IUPAC Name Traditional":"2-chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1S)-2-methoxy-1-methyl-ethyl]acetamide",InChI:"1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m0/s1",InChIKey:"JLYFCTQDENRSOL-VIFPVBQESA-N","Log P":2.6,"Exact Mass":275.0746777,"Molecular Formula":"C12H18ClNO2S","Molecular Weight":275.8,"Monoisotopic Mass":275.0746777,Charge:0,"Easy Name":"Dimethenamid-P","Easy Category":"Herbicide"},HSDB:{"Boiling Point":{Value:">= 280 °C"},"Color And Form":{Value:"Faintly yellow viscous liquid"},Density:{Value:"1.195 at 25 °C"},"Melting Point":{Value:"<-50 °C"},Odor:{Value:"Aromatic"},pH:{Value:"pH = 3.83 (1% solution)"},Solubility:{Value:"In water, 1449 mg/L at 25 °C"},"Vapor Pressure":{Value:"1.83X10-5 mm Hg /2.51 mPa/ at 25 °C"},Viscosity:{Value:"25.6 cPs at 25 °C"}},ReducedFormula:"C12Cl1H18N1O2S1"},13644148:{PUBCHEM:{CID:"13644148","Compound Complexity":118,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"Diammonium;2-hydroxybutanedioate","IUPAC Name CAS-like Style":"Diammonium;2-hydroxybutanedioate","IUPAC Name Markup":"Diazanium;2-hydroxybutanedioate","IUPAC Name Preferred":"Diazanium;2-hydroxybutanedioate","IUPAC Name Systematic":"Diazanium;2-oxidanylbutanedioate","IUPAC Name Traditional":"Diammonium;2-hydroxysuccinate",InChI:"1S/C4H6O5.2H3N/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);2*1H3",InChIKey:"KGECWXXIGSTYSQ-UHFFFAOYSA-N","Exact Mass":168.07462149,"Molecular Formula":"C4H12N2O5","Molecular Weight":168.15,"Monoisotopic Mass":168.07462149,Charge:0,"Easy Name":"Ammonium malate","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C4H12N2O5"},13652393:{PUBCHEM:{CID:"13652393","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;tellurate","IUPAC Name CAS-like Style":"Disodium;tellurate","IUPAC Name Markup":"Disodium;tellurate","IUPAC Name Preferred":"Disodium;tellurate","IUPAC Name Systematic":"Disodium;tellurate","IUPAC Name Traditional":"Disodium;tellurate",InChI:"1S/2Na.H2O4Te/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",InChIKey:"XERQTZLDFHNZIC-UHFFFAOYSA-L","Exact Mass":239.8654198,"Molecular Formula":"Na2O4Te","Molecular Weight":237.6,"Monoisotopic Mass":239.8654198,Charge:0,"Easy Name":"Sodium Tellurate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2O4Te1"},13685813:{PUBCHEM:{CID:"13685813","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;potassium;disulfate","IUPAC Name CAS-like Style":"Potassium;iron(3+);disulfate","IUPAC Name Markup":"Potassium;iron(3+);disulfate","IUPAC Name Preferred":"Potassium;iron(3+);disulfate","IUPAC Name Systematic":"Potassium;iron(3+);disulfate","IUPAC Name Traditional":"Ferric;potassium;disulfate",InChI:"1S/Fe.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",InChIKey:"RZEWPBTZTSBBAK-UHFFFAOYSA-J","Exact Mass":286.802101,"Molecular Formula":"FeKO8S2","Molecular Weight":287.1,"Monoisotopic Mass":286.802101,Charge:0,"Easy Name":"Iron (3+) potassium sulfate (1:1:2)","Easy Category":"Double salt"},HSDB:{},ReducedFormula:"Fe1K1O8S2"},13685913:{PUBCHEM:{CID:"13685913","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Titanium(3+);trihydroxide","IUPAC Name CAS-like Style":"Titanium(3+);trihydroxide","IUPAC Name Markup":"Titanium(3+);trihydroxide","IUPAC Name Preferred":"Titanium(3+);trihydroxide","IUPAC Name Systematic":"Titanium(3+);trihydroxide","IUPAC Name Traditional":"Titanium(3+);trihydroxide",InChI:"1S/3H2O.Ti/h3*1H2;/q;;;+3/p-3",InChIKey:"OKCGHURFTRSMMX-UHFFFAOYSA-K","Exact Mass":98.95616,"Molecular Formula":"H3O3Ti","Molecular Weight":98.89,"Monoisotopic Mass":98.95616,Charge:0,"Easy Name":"Titanium (3+);trihydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H3O3Ti1"},13710577:{PUBCHEM:{CID:"13710577","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);sulfide","IUPAC Name CAS-like Style":"Rubidium(1+);sulfide","IUPAC Name Markup":"Rubidium(1+);sulfide","IUPAC Name Preferred":"Rubidium(1+);sulfide","IUPAC Name Systematic":"Rubidium(1+);sulfide","IUPAC Name Traditional":"Rubidium(1+);sulfide",InChI:"1S/2Rb.S/q2*+1;-2",InChIKey:"AHKSSQDILPRNLA-UHFFFAOYSA-N","Exact Mass":201.7956506,"Molecular Formula":"Rb2S","Molecular Weight":203,"Monoisotopic Mass":201.7956506,Charge:0,"Easy Name":"Rubidium sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Rb2S1"},13725980:{PUBCHEM:{CID:"13725980","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chloro hypochlorite;hafnium","IUPAC Name CAS-like Style":"Hafnium;hypochlorous acid chloro ester","IUPAC Name Markup":"Chloro hypochlorite;hafnium","IUPAC Name Preferred":"Chloro hypochlorite;hafnium","IUPAC Name Systematic":"Chloranyl hypochlorite;hafnium","IUPAC Name Traditional":"Hafnium;hypochlorous acid chloro ester",InChI:"1S/Cl2O.Hf/c1-3-2;",InChIKey:"FLVFLHZPYDNHJE-UHFFFAOYSA-N","Exact Mass":265.87918,"Molecular Formula":"Cl2HfO","Molecular Weight":265.4,"Monoisotopic Mass":265.87918,Charge:0,"Easy Name":"Hafnium Oxychloride","Easy Category":"Oxohalides"},HSDB:{},ReducedFormula:"Cl2Hf1O1"},13726205:{PUBCHEM:{CID:"13726205","Compound Complexity":49.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);dihydrogen phosphate","IUPAC Name CAS-like Style":"Barium(2+);dihydrogen phosphate","IUPAC Name Markup":"Barium(2+);dihydrogen phosphate","IUPAC Name Preferred":"Barium(2+);dihydrogen phosphate","IUPAC Name Systematic":"Barium(2+);dihydrogen phosphate","IUPAC Name Traditional":"Barium(2+);dihydrogen phosphate",InChI:"1S/Ba.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",InChIKey:"IOPOLWHQYJSKCT-UHFFFAOYSA-L","Exact Mass":331.843388,"Molecular Formula":"BaH4O8P2","Molecular Weight":331.3,"Monoisotopic Mass":331.843388,Charge:0,"Easy Name":"Barium dihydrogen phosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1H4O8P2"},13879587:{PUBCHEM:{CID:"13879587","Compound Complexity":82.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Ethyl(tripropyl)ammonium;bromide","IUPAC Name CAS-like Style":"Ethyl(tripropyl)ammonium;bromide","IUPAC Name Markup":"Ethyl(tripropyl)azanium;bromide","IUPAC Name Preferred":"Ethyl(tripropyl)azanium;bromide","IUPAC Name Systematic":"Ethyl(tripropyl)azanium;bromide","IUPAC Name Traditional":"Ethyl(tripropyl)ammonium;bromide",InChI:"1S/C11H26N.BrH/c1-5-9-12(8-4,10-6-2)11-7-3;/h5-11H2,1-4H3;1H/q+1;/p-1",InChIKey:"AXGSHZVAGVXBJN-UHFFFAOYSA-M","Exact Mass":251.12486,"Molecular Formula":"C11H26BrN","Molecular Weight":252.23,"Monoisotopic Mass":251.12486,Charge:0,"Easy Name":"Ethyltripropylammonium bromide","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"Br1C11H26N1"},13879826:{PUBCHEM:{CID:"13879826","Compound Complexity":0,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Manganese;oxygen(2-)","IUPAC Name CAS-like Style":"Manganese;oxygen(2-)","IUPAC Name Markup":"Manganese;oxygen(2-)","IUPAC Name Preferred":"Manganese;oxygen(2-)","IUPAC Name Systematic":"Manganese;oxygen(2-)","IUPAC Name Traditional":"Manganese;oxygen(2-)",InChI:"1S/2Mn.7O/q;;7*-2",InChIKey:"ZEFXULJEOUCCOQ-UHFFFAOYSA-N","Exact Mass":221.840489,"Molecular Formula":"Mn2O7-14","Molecular Weight":221.87,"Monoisotopic Mass":221.840489,Charge:-14,"Easy Name":"Manganese heptoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"-14Mn2O7"},13887805:{PUBCHEM:{CID:"13887805","Compound Complexity":999,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(9R,14S,17S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione","IUPAC Name CAS-like Style":"(9R,14S,17S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione","IUPAC Name Markup":"(9R,14S,17S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione","IUPAC Name Preferred":"(9R,14S,17S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione","IUPAC Name Systematic":"(9R,14S,17S,23R,24S)-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-23,24-bis(oxidanyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione","IUPAC Name Traditional":"(9R,14S,17S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-quinone",InChI:"1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1",InChIKey:"LRXYHMMJJCTUMY-GWXUGYLUSA-N","Log P":1.8,"Exact Mass":511.23185041,"Molecular Formula":"C27H33N3O7","Molecular Weight":511.6,"Monoisotopic Mass":511.23185041,Charge:0,"Easy Name":"Verruculogen","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C27H33N3O7"},13892272:{PUBCHEM:{CID:"13892272","Compound Complexity":920,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate","IUPAC Name CAS-like Style":"Acetic acid [(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-5,12-dihydroxy-5,7,14-trimethyl-13-methylene-18-oxo-16-(phenylmethyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] ester","IUPAC Name Markup":"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate","IUPAC Name Preferred":"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate","IUPAC Name Systematic":"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-5,7,14-trimethyl-13-methylidene-5,12-bis(oxidanyl)-18-oxidanylidene-16-(phenylmethyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-18-keto-5,7,14-trimethyl-13-methylene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] ester",InChI:"1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30+/m0/s1",InChIKey:"NAEWXXDGBKTIMN-OWTACEMYSA-N","Log P":3.4,"Exact Mass":493.28282336,"Molecular Formula":"C30H39NO5","Molecular Weight":493.6,"Monoisotopic Mass":493.28282336,Charge:0,"Easy Name":"Cytochalasin H","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C30H39N1O5"},13908655:{PUBCHEM:{CID:"13908655","Compound Complexity":30.6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dibromo(difluoro)silane","IUPAC Name CAS-like Style":"Dibromo(difluoro)silane","IUPAC Name Markup":"Dibromo(difluoro)silane","IUPAC Name Preferred":"Dibromo(difluoro)silane","IUPAC Name Systematic":"Bis(bromanyl)-bis(fluoranyl)silane","IUPAC Name Traditional":"Dibromo(difluoro)silane",InChI:"1S/Br2F2Si/c1-5(2,3)4",InChIKey:"GRQCZRXBNBNXHM-UHFFFAOYSA-N","Exact Mass":225.80836,"Molecular Formula":"Br2F2Si","Molecular Weight":225.89,"Monoisotopic Mass":223.81041,Charge:0,"Easy Name":"Dibromo (difluoro)silane","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Br2F2Si1"},13932016:{PUBCHEM:{CID:"13932016","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tetrachloro-lambda4-sulfane","IUPAC Name CAS-like Style":"Tetrachloro-lambda4-sulfane","IUPAC Name Markup":"Tetrachloro-λ4-sulfane","IUPAC Name Preferred":"Tetrachloro-lambda4-sulfane","IUPAC Name Systematic":"Tetrakis(chloranyl)-lambda4-sulfane","IUPAC Name Traditional":"Tetrachlorosulfurane",InChI:"1S/Cl4S/c1-5(2,3)4",InChIKey:"JMPVZWBJWHQJDD-UHFFFAOYSA-N","Log P":4,"Exact Mass":173.844532,"Molecular Formula":"Cl4S","Molecular Weight":173.9,"Monoisotopic Mass":171.847482,Charge:0,"Easy Name":"Sulfur tetrachloride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cl4S1"},13932268:{PUBCHEM:{CID:"13932268","Compound Complexity":8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trifluoro-lambda3-iodane","IUPAC Name CAS-like Style":"Trifluoro-lambda3-iodane","IUPAC Name Markup":"Trifluoro-λ3-iodane","IUPAC Name Preferred":"Trifluoro-lambda3-iodane","IUPAC Name Systematic":"Tris(fluoranyl)-lambda3-iodane","IUPAC Name Traditional":"Trifluoro-lambda3-iodane",InChI:"1S/F3I/c1-4(2)3",InChIKey:"VJUJMLSNVYZCDT-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":183.89968,"Molecular Formula":"F3I","Molecular Weight":183.8997,"Monoisotopic Mass":183.89968,Charge:0,"Easy Name":"Iodine trifluoride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"F3I1"},13932566:{PUBCHEM:{CID:"13932566","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iridium(3+);trisulfate","IUPAC Name CAS-like Style":"Iridium(3+);trisulfate","IUPAC Name Markup":"Iridium(3+);trisulfate","IUPAC Name Preferred":"Iridium(3+);trisulfate","IUPAC Name Systematic":"Iridium(3+);trisulfate","IUPAC Name Traditional":"Iridium(3+);trisulfate",InChI:"1S/2Ir.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"VNVQLDDPGAWSSB-UHFFFAOYSA-H","Exact Mass":671.7787,"Molecular Formula":"Ir2O12S3","Molecular Weight":672.6,"Monoisotopic Mass":673.78104,Charge:0,"Easy Name":"Diiridium (3+) Trisulphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ir2O12S3"},13955568:{PUBCHEM:{CID:"13955568","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxalate;rubidium(1+)","IUPAC Name CAS-like Style":"Oxalate;rubidium(1+)","IUPAC Name Markup":"Oxalate;rubidium(1+)","IUPAC Name Preferred":"Oxalate;rubidium(1+)","IUPAC Name Systematic":"Ethanedioate;rubidium(1+)","IUPAC Name Traditional":"Oxalate;rubidium(1+)",InChI:"1S/C2H2O4.2Rb/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",InChIKey:"DUXDETQJUQZYEX-UHFFFAOYSA-L","Exact Mass":257.803238,"Molecular Formula":"C2O4Rb2","Molecular Weight":258.95,"Monoisotopic Mass":257.803238,Charge:0,"Easy Name":"Dirubidium oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2O4Rb2"},14029325:{PUBCHEM:{CID:"14029325","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;chloride;hydroxide","IUPAC Name CAS-like Style":"Magnesium;chloride;hydroxide","IUPAC Name Markup":"Magnesium;chloride;hydroxide","IUPAC Name Preferred":"Magnesium;chloride;hydroxide","IUPAC Name Systematic":"Magnesium;chloride;hydroxide","IUPAC Name Traditional":"Magnesium;chloride;hydroxide",InChI:"1S/ClH.Mg.H2O/h1H;;1H2/q;+2;/p-2",InChIKey:"RNDIHDKIZRODRW-UHFFFAOYSA-L","Exact Mass":75.956634,"Molecular Formula":"ClHMgO","Molecular Weight":76.76,"Monoisotopic Mass":75.956634,Charge:0,"Easy Name":"Magnesium chloride hydroxide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1H1Mg1O1"},14092088:{PUBCHEM:{CID:"14092088","Compound Complexity":101,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,2-trifluorocyclohexane","IUPAC Name CAS-like Style":"1,1,2-trifluorocyclohexane","IUPAC Name Markup":"1,1,2-trifluorocyclohexane","IUPAC Name Preferred":"1,1,2-trifluorocyclohexane","IUPAC Name Systematic":"1,1,2-tris(fluoranyl)cyclohexane","IUPAC Name Traditional":"1,1,2-trifluorocyclohexane",InChI:"1S/C6H9F3/c7-5-3-1-2-4-6(5,8)9/h5H,1-4H2",InChIKey:"FPPBYJBOHUMXJN-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":138.06563478,"Molecular Formula":"C6H9F3","Molecular Weight":138.13,"Monoisotopic Mass":138.06563478,Charge:0,"Easy Name":"1, 1, 2-trifluorocyclohexane","Easy Category":"Organofluorides"},HSDB:{},ReducedFormula:"C6F3H9"},14108443:{PUBCHEM:{CID:"14108443","Compound Complexity":466,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyl-tricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid","IUPAC Name CAS-like Style":"(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyl-10-tricyclo[6.3.0.03,6]undec-1-enecarboxylic acid","IUPAC Name Markup":"(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid","IUPAC Name Preferred":"(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid","IUPAC Name Systematic":"(3R,6S,8R,10S)-2,6,10-trimethyl-3-oxidanyl-tricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid","IUPAC Name Traditional":"(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyl-tricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid",InChI:"1S/C15H22O3/c1-9-11-8-13(2,12(16)17)6-10(11)7-14(3)4-5-15(9,14)18/h10,18H,4-8H2,1-3H3,(H,16,17)/t10-,13-,14-,15-/m0/s1",InChIKey:"PQUVTIVCCBHWFH-HJPIBITLSA-N","Log P":1.1,"Exact Mass":250.15689457,"Molecular Formula":"C15H22O3","Molecular Weight":250.33,"Monoisotopic Mass":250.15689457,Charge:0,"Easy Name":" (+)-Sterpuric Acid","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C15H22O3"},14178438:{PUBCHEM:{CID:"14178438","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tripotassium;arsorate","IUPAC Name CAS-like Style":"Tripotassium;arsorate","IUPAC Name Markup":"Tripotassium;arsorate","IUPAC Name Preferred":"Tripotassium;arsorate","IUPAC Name Systematic":"Tripotassium;arsorate","IUPAC Name Traditional":"Tripotassium;arsorate",InChI:"1S/AsH3O4.3K/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;/q;3*+1/p-3",InChIKey:"QLFYYVADGRLXQS-UHFFFAOYSA-K","Exact Mass":255.792373,"Molecular Formula":"AsK3O4","Molecular Weight":256.214,"Monoisotopic Mass":255.792373,Charge:0,"Easy Name":"Tripotassium arsenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"As1K3O4"},14178442:{PUBCHEM:{CID:"14178442","Compound Complexity":76,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;hydrogen sulfate","IUPAC Name CAS-like Style":"Calcium;hydrogen sulfate","IUPAC Name Markup":"Calcium;hydrogen sulfate","IUPAC Name Preferred":"Calcium;hydrogen sulfate","IUPAC Name Systematic":"Calcium;hydrogen sulfate","IUPAC Name Traditional":"Calcium;dibisulfate",InChI:"1S/Ca.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+2;;/p-2",InChIKey:"JXRVKYBCWUJJBP-UHFFFAOYSA-L","Exact Mass":233.8817002,"Molecular Formula":"CaH2O8S2","Molecular Weight":234.2,"Monoisotopic Mass":233.8817002,Charge:0,"Easy Name":"Calcium Bisulfate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"Ca1H2O8S2"},14194109:{PUBCHEM:{CID:"14194109","Compound Complexity":876,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S,4aR,6aR,7R,10aS,10bS)-2-(3-furyl)-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione","IUPAC Name CAS-like Style":"(2S,4aR,6aR,7R,10aS,10bS)-2-(3-furanyl)-6a,10b-dimethyl-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,4a,5,6,7,10a-hexahydro-1H-benzo[f][2]benzopyran-4,10-dione","IUPAC Name Markup":"(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione","IUPAC Name Preferred":"(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione","IUPAC Name Systematic":"(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-7-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6a,10b-dimethyl-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione","IUPAC Name Traditional":"(2S,4aR,6aR,7R,10aS,10bS)-2-(3-furyl)-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2,4a,5,6,7,10a-hexahydro-1H-benz[f]isochromene-4,10-quinone",InChI:"1S/C25H32O10/c1-24-7-5-13-22(31)33-15(12-6-8-32-11-12)9-25(13,2)21(24)14(27)3-4-17(24)35-23-20(30)19(29)18(28)16(10-26)34-23/h3-4,6,8,11,13,15-21,23,26,28-30H,5,7,9-10H2,1-2H3/t13-,15-,16+,17+,18+,19-,20+,21+,23-,24-,25+/m0/s1",InChIKey:"ZXHPKYMQXNHREV-LZLOTQJESA-N","Log P":.2,"Exact Mass":492.19954723,"Molecular Formula":"C25H32O10","Molecular Weight":492.5,"Monoisotopic Mass":492.19954723,Charge:0,"Easy Name":"Tinosporaside","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C25H32O10"},14202443:{PUBCHEM:{CID:"14202443","Compound Complexity":15.5,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"1-bromoethanol","IUPAC Name CAS-like Style":"1-bromoethanol","IUPAC Name Markup":"1-bromoethanol","IUPAC Name Preferred":"1-bromoethanol","IUPAC Name Systematic":"1-bromanylethanol","IUPAC Name Traditional":"1-bromoethanol",InChI:"1S/C2H5BrO/c1-2(3)4/h2,4H,1H3",InChIKey:"ZLGXEEAGBLFFTB-UHFFFAOYSA-N","Log P":.8,"Exact Mass":123.95238,"Molecular Formula":"C2H5BrO","Molecular Weight":124.96,"Monoisotopic Mass":123.95238,Charge:0,"Easy Name":"1-Bromoethanol","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br1C2H5O1"},14228785:{PUBCHEM:{CID:"14228785","Compound Complexity":18.8,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":6,"Rotatable Bond":0,"IUPAC Name Allowed":"Cobaltic;ammonia;trinitrate","IUPAC Name CAS-like Style":"Ammonia;cobalt(3+);trinitrate","IUPAC Name Markup":"Azane;cobalt(3+);trinitrate","IUPAC Name Preferred":"Azane;cobalt(3+);trinitrate","IUPAC Name Systematic":"Azane;cobalt(3+);trinitrate","IUPAC Name Traditional":"Cobaltic;ammonia;trinitrate",InChI:"1S/Co.3NO3.6H3N/c;3*2-1(3)4;;;;;;/h;;;;6*1H3/q+3;3*-1;;;;;;",InChIKey:"PYJCKRIHWNYBPQ-UHFFFAOYSA-N","Exact Mass":347.055942,"Molecular Formula":"CoH18N9O9","Molecular Weight":347.13,"Monoisotopic Mass":347.055942,Charge:0,"Easy Name":"Hexaamminecobalt (III) nitrate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Co1H18N9O9"},14313946:{PUBCHEM:{CID:"14313946","Compound Complexity":246,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"N-methyl-N-[(1R,3S,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide","IUPAC Name CAS-like Style":"N-methyl-N-[(1R,3S,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide","IUPAC Name Markup":"N-methyl-N-[(1R,3S,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide","IUPAC Name Preferred":"N-methyl-N-[(1R,3S,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide","IUPAC Name Systematic":"N-methyl-N-[(1R,3S,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]methanamide","IUPAC Name Traditional":"N-methyl-N-[(1R,3S,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide",InChI:"1S/C9H14N2O2/c1-10(5-12)8-7-4-11-3-2-6(13-7)9(8)11/h5-9H,2-4H2,1H3/t6-,7+,8-,9+/m0/s1",InChIKey:"YHLKXYXFUCTURZ-UYXSQOIJSA-N","Log P":-.4,"Exact Mass":182.1055277,"Molecular Formula":"C9H14N2O2","Molecular Weight":182.22,"Monoisotopic Mass":182.1055277,Charge:0,"Easy Name":"N-Formylloline","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C9H14N2O2"},14408225:{PUBCHEM:{CID:"14408225","Compound Complexity":162,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Markup":"(2R,3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Preferred":"(2R,3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Systematic":"(2R,3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","IUPAC Name Traditional":"(2R,3S,4S,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",InChI:"1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6-/m1/s1",InChIKey:"LKDRXBCSQODPBY-DPYQTVNSSA-N","Log P":-2.8,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Tagatopyranose","Easy Category":"Ketohexoses"},HSDB:{},ReducedFormula:"C6H12O6"},14419876:{PUBCHEM:{CID:"14419876","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Copper;ethanolate","IUPAC Name CAS-like Style":"Copper;ethanolate","IUPAC Name Markup":"Copper;ethanolate","IUPAC Name Preferred":"Copper;ethanolate","IUPAC Name Systematic":"Copper;ethanolate","IUPAC Name Traditional":"Cupric;ethanolate",InChI:"1S/2C2H5O.Cu/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2",InChIKey:"CRCKGIUJMFFISH-UHFFFAOYSA-N","Exact Mass":152.997677,"Molecular Formula":"C4H10CuO2","Molecular Weight":153.67,"Monoisotopic Mass":152.997677,Charge:0,"Easy Name":"Copper (II) ethoxide","Easy Category":"Alkoxide"},HSDB:{},ReducedFormula:"C4Cu1H10O2"},14420980:{PUBCHEM:{CID:"14420980","Compound Complexity":28.4,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tribromo(fluoro)silane","IUPAC Name CAS-like Style":"Tribromo(fluoro)silane","IUPAC Name Markup":"Tribromo(fluoro)silane","IUPAC Name Preferred":"Tribromo(fluoro)silane","IUPAC Name Systematic":"Tris(bromanyl)-fluoranyl-silane","IUPAC Name Traditional":"Tribromo(fluoro)silane",InChI:"1S/Br3FSi/c1-5(2,3)4",InChIKey:"OLMQZEWHTMEUDA-UHFFFAOYSA-N","Exact Mass":285.72829,"Molecular Formula":"Br3FSi","Molecular Weight":286.8,"Monoisotopic Mass":283.73034,Charge:0,"Easy Name":"Tribromo (fluoro)silane","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Br3F1Si1"},14496547:{PUBCHEM:{CID:"14496547","Compound Complexity":420,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(3,4-dihydroxy-5-methoxy-phenyl)-5-methoxy-chromenylium-3,7-diol","IUPAC Name CAS-like Style":"2-(3,4-dihydroxy-5-methoxyphenyl)-5-methoxy-1-benzopyrylium-3,7-diol","IUPAC Name Markup":"2-(3,4-dihydroxy-5-methoxyphenyl)-5-methoxychromenylium-3,7-diol","IUPAC Name Preferred":"2-(3,4-dihydroxy-5-methoxyphenyl)-5-methoxychromenylium-3,7-diol","IUPAC Name Systematic":"5-methoxy-2-[3-methoxy-4,5-bis(oxidanyl)phenyl]chromenylium-3,7-diol","IUPAC Name Traditional":"2-(3,4-dihydroxy-5-methoxy-phenyl)-5-methoxy-1-benzopyrylium-3,7-diol",InChI:"1S/C17H14O7/c1-22-13-5-9(18)6-14-10(13)7-12(20)17(24-14)8-3-11(19)16(21)15(4-8)23-2/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",InChIKey:"XJXMPIWHBIOJSH-UHFFFAOYSA-O","Exact Mass":331.08177782,"Molecular Formula":"C17H15O7+","Molecular Weight":331.3,"Monoisotopic Mass":331.08177782,Charge:1,"Easy Name":"Europinidin","Easy Category":"Anthocyanin"},HSDB:{},ReducedFormula:"+1C17H15O7"},14496896:{PUBCHEM:{CID:"14496896","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicesium;sulfide","IUPAC Name CAS-like Style":"Dicesium;sulfide","IUPAC Name Markup":"Dicesium;sulfide","IUPAC Name Preferred":"Dicesium;sulfide","IUPAC Name Systematic":"Dicesium;sulfide","IUPAC Name Traditional":"Dicesium;sulfide",InChI:"1S/2Cs.S/q2*+1;-2",InChIKey:"QTNDMWXOEPGHBT-UHFFFAOYSA-N","Exact Mass":297.7829751,"Molecular Formula":"Cs2S","Molecular Weight":297.88,"Monoisotopic Mass":297.7829751,Charge:0,"Easy Name":"Caesium sulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Cs2S1"},14496924:{PUBCHEM:{CID:"14496924","Compound Complexity":301,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"Ammonium;tetraphenylboranuide","IUPAC Name CAS-like Style":"Ammonium;tetraphenylboranuide","IUPAC Name Markup":"Azanium;tetraphenylboranuide","IUPAC Name Preferred":"Azanium;tetraphenylboranuide","IUPAC Name Systematic":"Azanium;tetraphenylboranuide","IUPAC Name Traditional":"Ammonium;tetraphenylboranuide",InChI:"1S/C24H20B.H3N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H3/q-1;/p+1",InChIKey:"ZWFYDLYRTYMBIL-UHFFFAOYSA-O","Exact Mass":337.2001799,"Molecular Formula":"C24H24BN","Molecular Weight":337.3,"Monoisotopic Mass":337.2001799,Charge:0,"Easy Name":"Tetraphenylboron ammonium","Easy Category":"Organoboron compounds"},HSDB:{},ReducedFormula:"B1C24H24N1"},14550468:{PUBCHEM:{CID:"14550468","Compound Complexity":1520,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":3,"Rotatable Bond":6,"IUPAC Name Allowed":"Disodium;2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfonatophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate","IUPAC Name CAS-like Style":"Disodium;2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfonatophenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonate","IUPAC Name Markup":"Disodium;2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfonatophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate","IUPAC Name Preferred":"Disodium;2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfonatophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate","IUPAC Name Systematic":"Disodium;2-azanyl-3-methyl-5-[[4-(4-sulfonatophenyl)iminocyclohexa-2,5-dien-1-ylidene]-[4-[(4-sulfophenyl)amino]phenyl]methyl]benzenesulfonate","IUPAC Name Traditional":"Disodium;2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfonatophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]besylate",InChI:"1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",InChIKey:"XOSXWYQMOYSSKB-UHFFFAOYSA-L","Exact Mass":737.05483148,"Molecular Formula":"C32H25N3Na2O9S3","Molecular Weight":737.7,"Monoisotopic Mass":737.05483148,Charge:0,"Easy Name":"Water blue","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C32H25N3Na2O9S3"},14592589:{PUBCHEM:{CID:"14592589","Compound Complexity":97,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,4,2-dithiazole-5-thione","IUPAC Name CAS-like Style":"1,4,2-dithiazole-5-thione","IUPAC Name Markup":"1,4,2-dithiazole-5-thione","IUPAC Name Preferred":"1,4,2-dithiazole-5-thione","IUPAC Name Systematic":"1,4,2-dithiazole-5-thione","IUPAC Name Traditional":"1,4,2-dithiazole-5-thione",InChI:"1S/C2HNS3/c4-2-5-1-3-6-2/h1H",InChIKey:"BORXJHBABJTFCD-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":134.92711256,"Molecular Formula":"C2HNS3","Molecular Weight":135.2,"Monoisotopic Mass":134.92711256,Charge:0,"Easy Name":"1, 4, 2-dithiazole-5-thione","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C2H1N1S3"},14921715:{PUBCHEM:{CID:"14921715","Compound Complexity":191,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1-nitro-4-(tribromomethyl)benzene","IUPAC Name CAS-like Style":"1-nitro-4-(tribromomethyl)benzene","IUPAC Name Markup":"1-nitro-4-(tribromomethyl)benzene","IUPAC Name Preferred":"1-nitro-4-(tribromomethyl)benzene","IUPAC Name Systematic":"1-nitro-4-[tris(bromanyl)methyl]benzene","IUPAC Name Traditional":"1-nitro-4-(tribromomethyl)benzene",InChI:"1S/C7H4Br3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H",InChIKey:"IXZRLXWDWGAGBH-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":372.77717,"Molecular Formula":"C7H4Br3NO2","Molecular Weight":373.82,"Monoisotopic Mass":370.77922,Charge:0,"Easy Name":"1-nitro-4- (tribromomethyl)benzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br3C7H4N1O2"},15100753:{PUBCHEM:{CID:"15100753","Compound Complexity":284,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1-[1-(4-methoxyphenyl)cyclohexyl]piperidine","IUPAC Name CAS-like Style":"1-[1-(4-methoxyphenyl)cyclohexyl]piperidine","IUPAC Name Markup":"1-[1-(4-methoxyphenyl)cyclohexyl]piperidine","IUPAC Name Preferred":"1-[1-(4-methoxyphenyl)cyclohexyl]piperidine","IUPAC Name Systematic":"1-[1-(4-methoxyphenyl)cyclohexyl]piperidine","IUPAC Name Traditional":"1-[1-(4-methoxyphenyl)cyclohexyl]piperidine",InChI:"1S/C18H27NO/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19/h8-11H,2-7,12-15H2,1H3",InChIKey:"MUZGGFNYVLGUFS-UHFFFAOYSA-N","Log P":3.6,"Exact Mass":273.20926449,"Molecular Formula":"C18H27NO","Molecular Weight":273.4,"Monoisotopic Mass":273.20926449,Charge:0,"Easy Name":"4-MeO-PCP","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C18H27N1O1"},15215479:{PUBCHEM:{CID:"15215479","Compound Complexity":599,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,4aR,6aR,7R,10aS,10bS)-2-(3-furyl)-7-hydroxy-6a,10b-dimethyl-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione","IUPAC Name CAS-like Style":"(2S,4aR,6aR,7R,10aS,10bS)-2-(3-furanyl)-7-hydroxy-6a,10b-dimethyl-2,4a,5,6,7,10a-hexahydro-1H-benzo[f][2]benzopyran-4,10-dione","IUPAC Name Markup":"(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione","IUPAC Name Preferred":"(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione","IUPAC Name Systematic":"(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-7-oxidanyl-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione","IUPAC Name Traditional":"(2S,4aR,6aR,7R,10aS,10bS)-2-(3-furyl)-7-hydroxy-6a,10b-dimethyl-2,4a,5,6,7,10a-hexahydro-1H-benz[f]isochromene-4,10-quinone",InChI:"1S/C19H22O5/c1-18-7-5-12-17(22)24-14(11-6-8-23-10-11)9-19(12,2)16(18)13(20)3-4-15(18)21/h3-4,6,8,10,12,14-16,21H,5,7,9H2,1-2H3/t12-,14-,15+,16+,18-,19+/m0/s1",InChIKey:"RKUPDDZLTBYXDN-RSDLCGCGSA-N","Log P":1.8,"Exact Mass":330.14672381,"Molecular Formula":"C19H22O5","Molecular Weight":330.4,"Monoisotopic Mass":330.14672381,Charge:0,"Easy Name":"Tinosponone","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C19H22O5"},15251597:{PUBCHEM:{CID:"15251597","Compound Complexity":6.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Azanidylidenebarium;barium(2+)","IUPAC Name CAS-like Style":"Azanidylidenebarium;barium(2+)","IUPAC Name Markup":"Azanidylidenebarium;barium(2+)","IUPAC Name Preferred":"Azanidylidenebarium;barium(2+)","IUPAC Name Systematic":"Azanidylidenebarium;barium(2+)","IUPAC Name Traditional":"Amidylidenebarium;barium(2+)",InChI:"1S/3Ba.2N/q;;+2;2*-1",InChIKey:"LHQHQVFOMOBERP-UHFFFAOYSA-N","Exact Mass":441.72189,"Molecular Formula":"Ba3N2","Molecular Weight":440,"Monoisotopic Mass":441.72189,Charge:0,"Easy Name":"Barium nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"Ba3N2"},15403643:{PUBCHEM:{CID:"15403643","Compound Complexity":445,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(ethylamino)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one","IUPAC Name CAS-like Style":"2-(ethylamino)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one","IUPAC Name Markup":"2-(ethylamino)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one","IUPAC Name Preferred":"2-(ethylamino)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one","IUPAC Name Systematic":"2-(ethylamino)-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one","IUPAC Name Traditional":"2-(ethylamino)-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one",InChI:"1S/C12H17N5O4/c1-2-13-12-15-10-9(11(20)16-12)14-5-17(10)8-3-6(19)7(4-18)21-8/h5-8,18-19H,2-4H2,1H3,(H2,13,15,16,20)/t6-,7+,8+/m0/s1",InChIKey:"VOKQFDULHQUWAV-XLPZGREQSA-N","Log P":-.5,"Exact Mass":295.12805405,"Molecular Formula":"C12H17N5O4","Molecular Weight":295.29,"Monoisotopic Mass":295.12805405,Charge:0,"Easy Name":"2'-deoxy-N-ethylguanosine","Easy Category":"Nucleoside"},HSDB:{},ReducedFormula:"C12H17N5O4"},15429212:{PUBCHEM:{CID:"15429212","Compound Complexity":294,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate","IUPAC Name CAS-like Style":"Acetic acid [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] ester","IUPAC Name Markup":"[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate","IUPAC Name Preferred":"[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate","IUPAC Name Systematic":"[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] ethanoate","IUPAC Name Traditional":"Acetic acid [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] ester",InChI:"1S/C14H18N2O2/c1-10(17)18-13-6-4-5-12-14(13)11(9-15-12)7-8-16(2)3/h4-6,9,15H,7-8H2,1-3H3",InChIKey:"RTLRUOSYLFOFHV-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":246.13682783,"Molecular Formula":"C14H18N2O2","Molecular Weight":246.3,"Monoisotopic Mass":246.13682783,Charge:0,"Easy Name":"O-Acetylpsilocin","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C14H18N2O2"},15430595:{PUBCHEM:{CID:"15430595","Compound Complexity":82.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;dioxido-oxo-thioxo-lambda6-sulfane","IUPAC Name CAS-like Style":"Dioxido-oxo-sulfanylidene-lambda6-sulfane;iron(2+)","IUPAC Name Markup":"Dioxido-oxo-sulfanylidene-λ6-sulfane;iron(2+)","IUPAC Name Preferred":"Dioxido-oxo-sulfanylidene-lambda6-sulfane;iron(2+)","IUPAC Name Systematic":"Bis(oxidanidyl)-oxidanylidene-sulfanylidene-lambda6-sulfane;iron(2+)","IUPAC Name Traditional":"Ferrous;keto-dioxido-thioxo-lambda6-sulfane",InChI:"1S/Fe.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",InChIKey:"XALJLKNTPLIEGK-UHFFFAOYSA-L","Exact Mass":167.863822,"Molecular Formula":"FeO3S2","Molecular Weight":168,"Monoisotopic Mass":167.863822,Charge:0,"Easy Name":"Iron (II) Thiosulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1O3S2"},15559065:{PUBCHEM:{CID:"15559065","Compound Complexity":71.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2-dioxine","IUPAC Name CAS-like Style":"1,2-dioxine","IUPAC Name Markup":"1,2-dioxine","IUPAC Name Preferred":"1,2-dioxine","IUPAC Name Systematic":"1,2-dioxine","IUPAC Name Traditional":"O-dioxin",InChI:"1S/C4H4O2/c1-2-4-6-5-3-1/h1-4H",InChIKey:"VCZQYTJRWNRPHF-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":84.021129368,"Molecular Formula":"C4H4O2","Molecular Weight":84.07,"Monoisotopic Mass":84.021129368,Charge:0,"Easy Name":"1, 2-Dioxin","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H4O2"},15560225:{PUBCHEM:{CID:"15560225","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4S,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4+,5+,6+/m1/s1",InChIKey:"AVVWPBAENSWJCB-URLGYRAOSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Idofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},15560226:{PUBCHEM:{CID:"15560226","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4S,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4+,5+,6-/m1/s1",InChIKey:"AVVWPBAENSWJCB-QBFJYBIGSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Idofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},15560227:{PUBCHEM:{CID:"15560227","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4S,5R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",InChIKey:"AVVWPBAENSWJCB-FPRJBGLDSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Altrofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},15560228:{PUBCHEM:{CID:"15560228","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4R,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",InChIKey:"AVVWPBAENSWJCB-PQMKYFCFSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Talofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},15560229:{PUBCHEM:{CID:"15560229","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4R,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1",InChIKey:"AVVWPBAENSWJCB-RWOPYEJCSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Talofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},15568012:{PUBCHEM:{CID:"15568012","Compound Complexity":2.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"N-aminohydroxylamine","IUPAC Name CAS-like Style":"N-aminohydroxylamine","IUPAC Name Markup":"N-aminohydroxylamine","IUPAC Name Preferred":"N-aminohydroxylamine","IUPAC Name Systematic":"N-azanylhydroxylamine","IUPAC Name Traditional":"N-aminohydroxylamine",InChI:"1S/H4N2O/c1-2-3/h2-3H,1H2",InChIKey:"GASFVSRUEBGMDI-UHFFFAOYSA-N","Log P":-1.4,"Exact Mass":48.032362757,"Molecular Formula":"H4N2O","Molecular Weight":48.045,"Monoisotopic Mass":48.032362757,Charge:0,"Easy Name":"Hydroxyhydrazine","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"H4N2O1"},15719509:{PUBCHEM:{CID:"15719509","Compound Complexity":2080,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":3,"Rotatable Bond":17,"IUPAC Name Allowed":"Ferrous;3-[18-(2-carboxyethyl)-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl]-3,8,13,17-tetramethyl-7-vinyl-porphyrin-21,23-diid-2-yl]propanoic acid","IUPAC Name CAS-like Style":"3-[18-(2-carboxyethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid;iron(2+)","IUPAC Name Markup":"3-[18-(2-carboxyethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)","IUPAC Name Preferred":"3-[18-(2-carboxyethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)","IUPAC Name Systematic":"3-[7-ethenyl-18-(3-hydroxy-3-oxopropyl)-3,8,13,17-tetramethyl-12-[(4E,8E)-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]porphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)","IUPAC Name Traditional":"Ferrous;3-[18-(2-carboxyethyl)-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl]-3,8,13,17-tetramethyl-7-vinyl-porphine-21,23-diid-2-yl]propionic acid",InChI:"1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24?,39-25?,40-26?,41-24?,42-25?,43-27?,44-27?,45-26?;",InChIKey:"FISPASSVCDRERW-BSMVMXCYSA-L","Exact Mass":838.375657,"Molecular Formula":"C49H58FeN4O5","Molecular Weight":838.9,"Monoisotopic Mass":838.375657,Charge:0,"Easy Name":"Heme O","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"C49Fe1H58N4O5"},15789245:{PUBCHEM:{CID:"15789245","Compound Complexity":85.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"2H-thiazine","IUPAC Name CAS-like Style":"2H-thiazine","IUPAC Name Markup":"2H-thiazine","IUPAC Name Preferred":"2H-thiazine","IUPAC Name Systematic":"2H-1,2-thiazine","IUPAC Name Traditional":"2H-thiazine",InChI:"1S/C4H5NS/c1-2-4-6-5-3-1/h1-5H",InChIKey:"AGIJRRREJXSQJR-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":99.01427034,"Molecular Formula":"C4H5NS","Molecular Weight":99.16,"Monoisotopic Mass":99.01427034,Charge:0,"Easy Name":"2H-1, 2-Thiazine","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C4H5N1S1"},15857753:{PUBCHEM:{CID:"15857753","Compound Complexity":67.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"3-methyloxiran-2-one","IUPAC Name CAS-like Style":"3-methyl-2-oxiranone","IUPAC Name Markup":"3-methyloxiran-2-one","IUPAC Name Preferred":"3-methyloxiran-2-one","IUPAC Name Systematic":"3-methyloxiran-2-one","IUPAC Name Traditional":"3-methyloxiran-2-one",InChI:"1S/C3H4O2/c1-2-3(4)5-2/h2H,1H3",InChIKey:"YCHXNMPJFFEIJG-UHFFFAOYSA-N","Log P":.3,"Exact Mass":72.021129368,"Molecular Formula":"C3H4O2","Molecular Weight":72.06,"Monoisotopic Mass":72.021129368,Charge:0,"Easy Name":"Alpha-Propiolactone","Easy Category":"Lactone"},HSDB:{},ReducedFormula:"C3H4O2"},15942890:{PUBCHEM:{CID:"15942890","Compound Complexity":721,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":8,"Rotatable Bond":19,"IUPAC Name Allowed":"(2S)-2-amino-6-[4-[(4S)-4-amino-4-carboxy-butyl]-3,5-bis[(3S)-3-amino-3-carboxy-propyl]pyridin-1-ium-1-yl]hexanoic acid","IUPAC Name CAS-like Style":"(2S)-2-amino-6-[4-[(4S)-4-amino-4-carboxybutyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]-1-pyridin-1-iumyl]hexanoic acid","IUPAC Name Markup":"(2S)-2-amino-6-[4-[(4S)-4-amino-4-carboxybutyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridin-1-ium-1-yl]hexanoic acid","IUPAC Name Preferred":"(2S)-2-amino-6-[4-[(4S)-4-amino-4-carboxybutyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridin-1-ium-1-yl]hexanoic acid","IUPAC Name Systematic":"(2S)-2-azanyl-6-[3,5-bis[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-4-[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]pyridin-1-ium-1-yl]hexanoic acid","IUPAC Name Traditional":"(2S)-2-amino-6-[4-[(4S)-4-amino-4-carboxy-butyl]-3,5-bis[(3S)-3-amino-3-carboxy-propyl]pyridin-1-ium-1-yl]hexanoic acid",InChI:"1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t17-,18-,19-,20-/m0/s1",InChIKey:"VEVRNHHLCPGNDU-MUGJNUQGSA-O","Log P":-10.2,"Exact Mass":526.28768827,"Molecular Formula":"C24H40N5O8+","Molecular Weight":526.6,"Monoisotopic Mass":526.28768827,Charge:1,"Easy Name":"Desmosine","Easy Category":"Amino acids"},HSDB:{},ReducedFormula:"+1C24H40N5O8"},15975309:{PUBCHEM:{CID:"15975309","Compound Complexity":31.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;fulminate","IUPAC Name CAS-like Style":"Potassium;oxidonitriliomethane","IUPAC Name Markup":"Potassium;oxidoazaniumylidynemethane","IUPAC Name Preferred":"Potassium;oxidoazaniumylidynemethane","IUPAC Name Systematic":"Potassium;oxidanidylazaniumylidynemethane","IUPAC Name Traditional":"Potassium;fulminate",InChI:"1S/CNO.K/c1-2-3;/q-1;+1",InChIKey:"LOMWRVTZROPEGG-UHFFFAOYSA-N","Exact Mass":80.96169511,"Molecular Formula":"CKNO","Molecular Weight":81.115,"Monoisotopic Mass":80.96169511,Charge:0,"Easy Name":"Potassium fulminate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1K1N1O1"},15975392:{PUBCHEM:{CID:"15975392","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;bromide;chloride","IUPAC Name CAS-like Style":"Magnesium;bromide;chloride","IUPAC Name Markup":"Magnesium;bromide;chloride","IUPAC Name Preferred":"Magnesium;bromide;chloride","IUPAC Name Systematic":"Magnesium;bromide;chloride","IUPAC Name Traditional":"Magnesium;bromide;chloride",InChI:"1S/BrH.ClH.Mg/h2*1H;/q;;+2/p-2",InChIKey:"SGZHLLQPCVCEDC-UHFFFAOYSA-L","Exact Mass":137.87223,"Molecular Formula":"BrClMg","Molecular Weight":139.66,"Monoisotopic Mass":137.87223,Charge:0,"Easy Name":"Magnesium bromide chloride (1:1:1)","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"Br1Cl1Mg1"},16076883:{PUBCHEM:{CID:"16076883","Compound Complexity":1470,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":3,"Rotatable Bond":14,"IUPAC Name Allowed":"Tert-butyl N-[(1S)-1-[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate","IUPAC Name CAS-like Style":"N-[(2S)-1-[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester","IUPAC Name Markup":"tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate","IUPAC Name Preferred":"Tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate","IUPAC Name Systematic":"Tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloranyl-4-methoxy-isoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate","IUPAC Name Traditional":"N-[(1S)-1-[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester",InChI:"1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1",InChIKey:"XRWSZZJLZRKHHD-WVWIJVSJSA-N","Log P":4.9,"Exact Mass":747.270477,"Molecular Formula":"C35H46ClN5O9S","Molecular Weight":748.3,"Monoisotopic Mass":747.270477,Charge:0,"Easy Name":"Asunaprevir","Easy Category":"Sulfonamide"},HSDB:{},ReducedFormula:"C35Cl1H46N5O9S1"},16129646:{PUBCHEM:{CID:"16129646","Compound Complexity":6,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;dihydroxyphosphanide","IUPAC Name CAS-like Style":"Sodium;dihydroxyphosphanide","IUPAC Name Markup":"Sodium;dihydroxyphosphanide","IUPAC Name Preferred":"Sodium;dihydroxyphosphanide","IUPAC Name Systematic":"Sodium;bis(oxidanyl)phosphanide","IUPAC Name Traditional":"Sodium;dihydroxyphosphanide",InChI:"1S/Na.H2O2P/c;1-3-2/h;1-2H/q+1;-1",InChIKey:"VUPCDXVFVBBREC-UHFFFAOYSA-N","Exact Mass":87.96901058,"Molecular Formula":"H2NaO2P","Molecular Weight":87.978,"Monoisotopic Mass":87.96901058,Charge:0,"Easy Name":"Sodium hypophosphite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H2Na1O2P1"},16129671:{PUBCHEM:{CID:"16129671","Compound Complexity":36.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/Na.HO3P/c;1-4(2)3/h;(H,1,2,3)/q+1;/p-1",InChIKey:"AQMNWCRSESPIJM-UHFFFAOYSA-M","Exact Mass":101.94827514,"Molecular Formula":"NaO3P","Molecular Weight":101.962,"Monoisotopic Mass":101.94827514,Charge:0,"Easy Name":"Sodium metaphosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na1O3P1"},16129681:{PUBCHEM:{CID:"16129681","Compound Complexity":3240,"Hydrogen Bond Acceptor":24,"Hydrogen Bond Donor":22,"Rotatable Bond":26,"IUPAC Name Allowed":"19,34-bis(4-aminobutyl)-31-(2-amino-2-oxo-ethyl)-37-[[2-(2-aminopropanoylamino)acetyl]amino]-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid","IUPAC Name CAS-like Style":"19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-[(2-amino-1-oxopropyl)amino]-1-oxoethyl]amino]-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-13,25,28-tris(phenylmethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid","IUPAC Name Markup":"19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-(2-aminopropanoylamino)acetyl]amino]-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid","IUPAC Name Preferred":"19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-(2-aminopropanoylamino)acetyl]amino]-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid","IUPAC Name Systematic":"19,34-bis(4-azanylbutyl)-31-(2-azanyl-2-oxidanylidene-ethyl)-37-[2-(2-azanylpropanoylamino)ethanoylamino]-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecakis(oxidanylidene)-13,25,28-tris(phenylmethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid","IUPAC Name Traditional":"37-[[2-(alanylamino)acetyl]amino]-19,34-bis(4-aminobutyl)-31-(2-amino-2-keto-ethyl)-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaketo-7-methylol-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid",InChI:"1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)",InChIKey:"NHXLMOGPVYXJNR-UHFFFAOYSA-N","Log P":-3.1,"Exact Mass":1636.7166556,"Molecular Formula":"C76H104N18O19S2","Molecular Weight":1637.9,"Monoisotopic Mass":1636.7166556,Charge:0,"Easy Name":"Somatostatin","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C76H104N18O19S2"},16132316:{PUBCHEM:{CID:"16132316","Compound Complexity":7850,"Hydrogen Bond Acceptor":53,"Hydrogen Bond Donor":48,"Rotatable Bond":118,"IUPAC Name Allowed":"(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-carboxy-butanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]pentanedioic acid","IUPAC Name CAS-like Style":"(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]pentanedioic acid","IUPAC Name Markup":"(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]pentanedioic acid","IUPAC Name Preferred":"(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]pentanedioic acid","IUPAC Name Systematic":"(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoylamino]pentanedioic acid","IUPAC Name Traditional":"(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-carboxy-butanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]glutaric acid",InChI:"1S/C158H251N39O46S/c1-17-84(9)126(153(237)182-102(44-29-34-65-163)137(221)186-112(74-118(166)206)142(226)171-86(11)131(215)183-110(73-94-48-52-96(204)53-49-94)146(230)177-99(41-26-31-62-160)135(219)175-98(40-25-30-61-159)134(218)170-78-122(210)173-106(158(242)243)56-59-124(213)214)193-154(238)127(85(10)18-2)192-132(216)87(12)172-143(227)113(75-119(167)207)185-136(220)100(42-27-32-63-161)178-147(231)111(72-92-38-23-20-24-39-92)184-144(228)107(68-81(3)4)188-155(239)129(89(14)201)195-152(236)125(83(7)8)191-148(232)108(69-82(5)6)187-151(235)116-45-35-66-197(116)157(241)130(90(15)202)196-140(224)103(54-57-117(165)205)179-149(233)114(79-198)189-138(222)101(43-28-33-64-162)176-139(223)104(55-58-123(211)212)180-150(234)115(80-199)190-156(240)128(88(13)200)194-141(225)105(60-67-244-16)181-145(229)109(71-91-36-21-19-22-37-91)174-121(209)77-168-120(208)76-169-133(217)97(164)70-93-46-50-95(203)51-47-93/h19-24,36-39,46-53,81-90,97-116,125-130,198-204H,17-18,25-35,40-45,54-80,159-164H2,1-16H3,(H2,165,205)(H2,166,206)(H2,167,207)(H,168,208)(H,169,217)(H,170,218)(H,171,226)(H,172,227)(H,173,210)(H,174,209)(H,175,219)(H,176,223)(H,177,230)(H,178,231)(H,179,233)(H,180,234)(H,181,229)(H,182,237)(H,183,215)(H,184,228)(H,185,220)(H,186,221)(H,187,235)(H,188,239)(H,189,222)(H,190,240)(H,191,232)(H,192,216)(H,193,238)(H,194,225)(H,195,236)(H,196,224)(H,211,212)(H,213,214)(H,242,243)/t84-,85-,86-,87-,88+,89+,90+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,125-,126-,127-,128-,129-,130-/m0/s1",InChIKey:"JMHFFDIMOUKDCZ-NTXHZHDSSA-N","Log P":-13.9,"Exact Mass":3463.8254678,"Molecular Formula":"C158H251N39O46S","Molecular Weight":3465,"Monoisotopic Mass":3462.8221129,Charge:0,"Easy Name":"Beta-Endorphin","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C158H251N39O46S1"},16133797:{PUBCHEM:{CID:"16133797","Compound Complexity":4320,"Hydrogen Bond Acceptor":33,"Hydrogen Bond Donor":31,"Rotatable Bond":37,"IUPAC Name Allowed":"3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-40-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-2-amino-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-oxo-ethyl)-34,37-bis(3-guanidinopropyl)-19-[(1R)-1-hydroxyethyl]-25-isobutyl-7,22,31-trimethyl-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid","IUPAC Name CAS-like Style":"3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-40-[[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-oxomethyl]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-34,37-bis(3-carbamimidamidopropyl)-19-[(1R)-1-hydroxyethyl]-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid","IUPAC Name Markup":"3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-40-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-34,37-bis(3-carbamimidamidopropyl)-19-[(1R)-1-hydroxyethyl]-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid","IUPAC Name Preferred":"3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-40-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-34,37-bis(3-carbamimidamidopropyl)-19-[(1R)-1-hydroxyethyl]-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid","IUPAC Name Systematic":"3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-azanyl-40-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-1-azanyl-3-(1H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]-4-(4-azanylbutyl)-47-(2-azanyl-2-oxidanylidene-ethyl)-34,37-bis(3-carbamimidamidopropyl)-7,22,31-trimethyl-25-(2-methylpropyl)-19-[(1R)-1-oxidanylethyl]-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecakis(oxidanylidene)-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid","IUPAC Name Traditional":"3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-40-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-2-amino-1-(1H-imidazol-4-ylmethyl)-2-keto-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-4-keto-butyl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-keto-ethyl)-34,37-bis(3-guanidinopropyl)-19-[(1R)-1-hydroxyethyl]-25-isobutyl-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaketo-7,22,31-trimethyl-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propionic acid",InChI:"1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1",InChIKey:"YVIIHEKJCKCXOB-STYWVVQQSA-N","Log P":-13.4,"Exact Mass":2025.8866089,"Molecular Formula":"C79H131N31O24S4","Molecular Weight":2027.4,"Monoisotopic Mass":2025.8866089,Charge:0,"Easy Name":"Apamin","Easy Category":"Peptide"},HSDB:{},ReducedFormula:"C79H131N31O24S4"},16133895:{PUBCHEM:{CID:"16133895","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/K.HO3P/c;1-4(2)3/h;(H,1,2,3)/q+1;/p-1",InChIKey:"OQZCJRJRGMMSGK-UHFFFAOYSA-M","Exact Mass":117.92221234,"Molecular Formula":"KO3P","Molecular Weight":118.07,"Monoisotopic Mass":117.92221234,Charge:0,"Easy Name":"Potassium metaphosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K1O3P1"},16136710:{PUBCHEM:{CID:"16136710","Compound Complexity":124,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(dithioxo-lambda5-phosphanyl)sulfanyl-dithioxo-lambda5-phosphane","IUPAC Name CAS-like Style":"[bis(sulfanylidene)phosphoranylthio]-bis(sulfanylidene)phosphorane","IUPAC Name Markup":"[bis(sulfanylidene)-λ5-phosphanyl]sulfanyl-bis(sulfanylidene)-λ5-phosphane","IUPAC Name Preferred":"[bis(sulfanylidene)-lambda5-phosphanyl]sulfanyl-bis(sulfanylidene)-lambda5-phosphane","IUPAC Name Systematic":"[bis(sulfanylidene)-lambda5-phosphanyl]sulfanyl-bis(sulfanylidene)-lambda5-phosphane","IUPAC Name Traditional":"(dithioxophosphoranylthio)-dithioxo-phosphorane",InChI:"1S/P2S5/c3-1(4)7-2(5)6",InChIKey:"HWVAJUNEPOKXLF-UHFFFAOYSA-N","Log P":4.9,"Exact Mass":221.80787987,"Molecular Formula":"P2S5","Molecular Weight":222.3,"Monoisotopic Mass":221.80787987,Charge:0,"Easy Name":"1, 3-Dithioxodiphosphathiane 1, 3-disulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"P2S5"},16138008:{PUBCHEM:{CID:"16138008","Compound Complexity":3780,"Hydrogen Bond Acceptor":30,"Hydrogen Bond Donor":26,"Rotatable Bond":59,"IUPAC Name Allowed":"(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-carboxy-butanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoic acid","IUPAC Name CAS-like Style":"(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methylpentanoic acid","IUPAC Name Markup":"(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid","IUPAC Name Preferred":"(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid","IUPAC Name Systematic":"(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid","IUPAC Name Traditional":"(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-carboxy-butanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-valeric acid",InChI:"1S/C83H131N19O27S/c1-41(2)33-55(75(120)98-65(43(5)6)79(124)100-67(45(8)106)80(125)95-57(83(128)129)34-42(3)4)94-78(123)60-20-16-31-102(60)82(127)68(46(9)107)101-72(117)52(25-27-61(86)109)91-76(121)58(39-103)96-70(115)51(19-14-15-30-84)90-71(116)53(26-28-64(112)113)92-77(122)59(40-104)97-81(126)66(44(7)105)99-73(118)54(29-32-130-10)93-74(119)56(36-47-17-12-11-13-18-47)89-63(111)38-87-62(110)37-88-69(114)50(85)35-48-21-23-49(108)24-22-48/h11-13,17-18,21-24,41-46,50-60,65-68,103-108H,14-16,19-20,25-40,84-85H2,1-10H3,(H2,86,109)(H,87,110)(H,88,114)(H,89,111)(H,90,116)(H,91,121)(H,92,122)(H,93,119)(H,94,123)(H,95,125)(H,96,115)(H,97,126)(H,98,120)(H,99,118)(H,100,124)(H,101,117)(H,112,113)(H,128,129)/t44-,45-,46-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,65+,66+,67+,68+/m1/s1",InChIKey:"GASYAMBJHBRTOE-WHDBNHDESA-N","Log P":-8.6,"Exact Mass":1857.9182512,"Molecular Formula":"C83H131N19O27S","Molecular Weight":1859.1,"Monoisotopic Mass":1857.9182512,Charge:0,"Easy Name":"Gamma-Endorphin","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C83H131N19O27S1"},16138308:{PUBCHEM:{CID:"16138308","Compound Complexity":3520,"Hydrogen Bond Acceptor":29,"Hydrogen Bond Donor":25,"Rotatable Bond":55,"IUPAC Name Allowed":"(4S)-5-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S,2R)-1-[(2S)-2-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-hydroxy-propyl]carbamoyl]-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoic acid","IUPAC Name CAS-like Style":"(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-oxopentanoic acid","IUPAC Name Markup":"(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid","IUPAC Name Preferred":"(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid","IUPAC Name Systematic":"(4S)-5-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid","IUPAC Name Traditional":"(4S)-5-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S,2R)-1-[(2S)-2-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-hydroxy-propyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]pentyl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-valeric acid",InChI:"1S/C77H120N18O26S/c1-38(2)31-51(70(113)91-60(39(3)4)74(117)94-63(42(7)100)77(120)121)88-73(116)55-18-14-29-95(55)76(119)62(41(6)99)93-67(110)48(23-25-56(80)102)85-71(114)53(36-96)89-65(108)47(17-12-13-28-78)84-66(109)49(24-26-59(105)106)86-72(115)54(37-97)90-75(118)61(40(5)98)92-68(111)50(27-30-122-8)87-69(112)52(33-43-15-10-9-11-16-43)83-58(104)35-81-57(103)34-82-64(107)46(79)32-44-19-21-45(101)22-20-44/h9-11,15-16,19-22,38-42,46-55,60-63,96-101H,12-14,17-18,23-37,78-79H2,1-8H3,(H2,80,102)(H,81,103)(H,82,107)(H,83,104)(H,84,109)(H,85,114)(H,86,115)(H,87,112)(H,88,116)(H,89,108)(H,90,118)(H,91,113)(H,92,111)(H,93,110)(H,94,117)(H,105,106)(H,120,121)/t40-,41-,42-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,60+,61+,62+,63+/m1/s1",InChIKey:"NXSIJWJXMWBCBX-NWKQFZAZSA-N","Log P":-9.7,"Exact Mass":1744.8341872,"Molecular Formula":"C77H120N18O26S","Molecular Weight":1745.9,"Monoisotopic Mass":1744.8341872,Charge:0,"Easy Name":"Alpha-Endorphin","Easy Category":"Peptide"},HSDB:{},ReducedFormula:"C77H120N18O26S1"},16149343:{PUBCHEM:{CID:"16149343","Compound Complexity":2580,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene","IUPAC Name CAS-like Style":"7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-eicosaene","IUPAC Name Markup":"7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene","IUPAC Name Preferred":"7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene","IUPAC Name Systematic":"7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene","IUPAC Name Traditional":"7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-eicosaene",InChI:"1S/C64H36/c1-5-17-37(18-6-1)53-41-25-13-14-26-42(41)54(38-19-7-2-8-20-38)62-50-34-30-46-48-32-36-52-60-51(35-31-47(58(48)60)45-29-33-49(61(53)62)59(50)57(45)46)63-55(39-21-9-3-10-22-39)43-27-15-16-28-44(43)56(64(52)63)40-23-11-4-12-24-40/h1-36H",InChIKey:"WPPDXAHGCGPUPK-UHFFFAOYSA-N","Log P":8.6,"Exact Mass":804.28170116,"Molecular Formula":"C64H36","Molecular Weight":805,"Monoisotopic Mass":804.28170116,Charge:0,"Easy Name":"Tetraphenyldibenzoperiflanthene","Easy Category":"Aromatic hydrocarbons"},HSDB:{},ReducedFormula:"C64H36"},16164194:{PUBCHEM:{CID:"16164194","Compound Complexity":36.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/Ba.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;/p-2",InChIKey:"XNJIKBGDNBEQME-UHFFFAOYSA-L","Exact Mass":295.822259,"Molecular Formula":"BaO6P2","Molecular Weight":295.27,"Monoisotopic Mass":295.822259,Charge:0,"Easy Name":"Barium metaphosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1O6P2"},16211024:{PUBCHEM:{CID:"16211024","Compound Complexity":2300,"Hydrogen Bond Acceptor":24,"Hydrogen Bond Donor":13,"Rotatable Bond":16,"IUPAC Name Allowed":"(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxane-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetoxy-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-4,8a-dimethylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid",InChI:"1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/m1/s1",InChIKey:"AXNVHPCVMSNXNP-YSYFQUGBSA-N","Log P":.7,"Exact Mass":1130.55090364,"Molecular Formula":"C55H86O24","Molecular Weight":1131.3,"Monoisotopic Mass":1130.55090364,Charge:0,"Easy Name":"Β-Escin","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C55H86O24"},16211091:{PUBCHEM:{CID:"16211091","Compound Complexity":2270,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":16,"IUPAC Name Allowed":"Copper;[dimethylamino-[[15,24,33-tris[[dimethylamino(dimethyliminio)methyl]sulfanylmethyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl]methylsulfanyl]methylene]-dimethyl-ammonium;tetrachloride","IUPAC Name CAS-like Style":"Copper;[dimethylamino-[[15,24,33-tris[[[dimethylamino(dimethyliminio)methyl]thio]methyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl]methylthio]methylidene]-dimethylammonium;tetrachloride","IUPAC Name Markup":"Copper;[dimethylamino-[[15,24,33-tris[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl]methylsulfanyl]methylidene]-dimethylazanium;tetrachloride","IUPAC Name Preferred":"Copper;[dimethylamino-[[15,24,33-tris[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl]methylsulfanyl]methylidene]-dimethylazanium;tetrachloride","IUPAC Name Systematic":"Copper;[dimethylamino-[[15,24,33-tris[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl]methylsulfanyl]methylidene]-dimethyl-azanium;tetrachloride","IUPAC Name Traditional":"Cupric;[dimethylamino-[[15,24,33-tris[[[dimethylamino(dimethyliminio)methyl]thio]methyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl]methylthio]methylene]-dimethyl-ammonium;tetrachloride",InChI:"1S/C56H68N16S4.4ClH.Cu/c1-65(2)53(66(3)4)73-29-33-17-21-37-41(25-33)49-57-45(37)62-50-43-27-35(31-75-55(69(9)10)70(11)12)19-23-39(43)47(59-50)64-52-44-28-36(32-76-56(71(13)14)72(15)16)20-24-40(44)48(60-52)63-51-42-26-34(18-22-38(42)46(58-51)61-49)30-74-54(67(5)6)68(7)8;;;;;/h17-28H,29-32H2,1-16H3;4*1H;/q+2;;;;;+2/p-4",InChIKey:"CKLBXIYTBHXJEH-UHFFFAOYSA-J","Exact Mass":1297.271629,"Molecular Formula":"C56H68Cl4CuN16S4","Molecular Weight":1298.9,"Monoisotopic Mass":1295.274579,Charge:0,"Easy Name":"Alcian blue","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C56Cl4Cu1H68N16S4"},16211166:{PUBCHEM:{CID:"16211166","Compound Complexity":81.3,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;sulfuric acid","IUPAC Name CAS-like Style":"Ammonia;sulfuric acid","IUPAC Name Markup":"Azane;sulfuric acid","IUPAC Name Preferred":"Azane;sulfuric acid","IUPAC Name Systematic":"Azane;sulfuric acid","IUPAC Name Traditional":"Ammonia;sulfuric acid",InChI:"1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)",InChIKey:"BIGPRXCJEDHCLP-UHFFFAOYSA-N","Exact Mass":114.99392882,"Molecular Formula":"H5NO4S","Molecular Weight":115.11,"Monoisotopic Mass":114.99392882,Charge:0,"Easy Name":"Ammonium bisulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H5N1O4S1"},16211460:{PUBCHEM:{CID:"16211460","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;hexachloroplatinum(2-)","IUPAC Name CAS-like Style":"Diammonium;hexachloroplatinum(2-)","IUPAC Name Markup":"Diazanium;hexachloroplatinum(2-)","IUPAC Name Preferred":"Diazanium;hexachloroplatinum(2-)","IUPAC Name Systematic":"Diazanium;hexakis(chloranyl)platinum(2-)","IUPAC Name Traditional":"Diammonium;hexachloroplatinum(2-)",InChI:"1S/6ClH.2H3N.Pt/h6*1H;2*1H3;/q;;;;;;;;+4/p-4",InChIKey:"PCCGQTHFYHJATL-UHFFFAOYSA-J","Exact Mass":442.843709,"Molecular Formula":"Cl6H8N2Pt","Molecular Weight":443.9,"Monoisotopic Mass":440.846659,Charge:0,"Easy Name":"Ammonium hexachloroplatinate","Easy Category":"Coordination compounds"},HSDB:{"Color And Form":{Value:"Red-orange cubic crystals"},Density:{Value:"3.06"},"Melting Point":{Value:"Decomposes @ 380 °C"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.8"},Solubility:{Value:"0.7 G/100 CC OF WATER @ 15 °C; 1.25 G/100 CC OF WATER @ & 100 °C; 0.005 G/100 CC OF ALCOHOL; INSOL IN ETHER & CONCN HYDROCHLORIC ACID"},Uses:{Value:"Platinum plating; mfr spongy platinum"}},ReducedFormula:"Cl6H8N2Pt1"},16211476:{PUBCHEM:{CID:"16211476","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;hexachloroiridium(2-)","IUPAC Name CAS-like Style":"Diammonium;hexachloroiridium(2-)","IUPAC Name Markup":"Diazanium;hexachloroiridium(2-)","IUPAC Name Preferred":"Diazanium;hexachloroiridium(2-)","IUPAC Name Systematic":"Diazanium;hexakis(chloranyl)iridium(2-)","IUPAC Name Traditional":"Diammonium;hexachloroiridium(2-)",InChI:"1S/6ClH.Ir.2H3N/h6*1H;;2*1H3/q;;;;;;+4;;/p-4",InChIKey:"LWNOUTCTZQNGEN-UHFFFAOYSA-J","Exact Mass":440.84184,"Molecular Formula":"Cl6H8IrN2","Molecular Weight":441,"Monoisotopic Mass":438.84479,Charge:0,"Easy Name":"Ammonium hexachloroiridate (IV)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6H8Ir1N2"},16211508:{PUBCHEM:{CID:"16211508","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;tetrachloroplatinum(2-)","IUPAC Name CAS-like Style":"Diammonium;tetrachloroplatinum(2-)","IUPAC Name Markup":"Diazanium;tetrachloroplatinum(2-)","IUPAC Name Preferred":"Diazanium;tetrachloroplatinum(2-)","IUPAC Name Systematic":"Diazanium;tetrakis(chloranyl)platinum(2-)","IUPAC Name Traditional":"Diammonium;tetrachloroplatinum(2-)",InChI:"1S/4ClH.2H3N.Pt/h4*1H;2*1H3;/q;;;;;;+2/p-2",InChIKey:"QJIMNDWDOXTTBR-UHFFFAOYSA-L","Exact Mass":372.906003,"Molecular Formula":"Cl4H8N2Pt","Molecular Weight":373,"Monoisotopic Mass":370.908953,Charge:0,"Easy Name":"Ammonium tetrachloroplatinate (II)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl4H8N2Pt1"},16212682:{PUBCHEM:{CID:"16212682","Compound Complexity":8.9,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/3Mg.N2/c;;;1-2/q;2*+1;-2",InChIKey:"VZPQZBKNAUHPOS-UHFFFAOYSA-N","Exact Mass":99.9612731,"Molecular Formula":"Mg3N2","Molecular Weight":100.93,"Monoisotopic Mass":99.9612731,Charge:0,"Easy Name":"Magnesium nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"Mg3N2"},16212801:{PUBCHEM:{CID:"16212801","Compound Complexity":3220,"Hydrogen Bond Acceptor":21,"Hydrogen Bond Donor":9,"Rotatable Bond":26,"IUPAC Name Allowed":"Cobaltic;[(2R,3S,4R)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]ethyl] phosphate;cyanide","IUPAC Name CAS-like Style":"Cobalt(3+);[(2R,3S,4R)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2R)-1-[[1-oxo-3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propyl]amino]propan-2-yl] phosphate;cyanide","IUPAC Name Markup":"Cobalt(3+);[(2R,3S,4R)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] phosphate;cyanide","IUPAC Name Preferred":"Cobalt(3+);[(2R,3S,4R)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] phosphate;cyanide","IUPAC Name Systematic":"Cobalt(3+);[(2R,3S,4R)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] phosphate;cyanide","IUPAC Name Traditional":"Cobaltic;[(2R,3S,4R)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-keto-ethyl)-7,12,17-tris(3-amino-3-keto-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]ethyl] phosphate;cyanide",InChI:"1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57?,59-,60+,61+,62+;;/m1../s1",InChIKey:"FDJOLVPMNUYSCM-QJRSUKKJSA-L","Exact Mass":1354.567399,"Molecular Formula":"C63H88CoN14O14P","Molecular Weight":1355.4,"Monoisotopic Mass":1354.567399,Charge:0,"Easy Name":"Cyanocobalamin","Easy Category":"Vitamin"},HSDB:{pH:{Value:"Commercially available cyanocobalamin for injection has a pH of 4.5-7"},Taste:{Value:"Tasteless"}},ReducedFormula:"C63Co1H88N14O14P1"},16213016:{PUBCHEM:{CID:"16213016","Compound Complexity":596,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":10,"IUPAC Name Allowed":"2-(isopropylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate","IUPAC Name CAS-like Style":"(2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid 2-(propan-2-ylideneamino)oxyethyl ester","IUPAC Name Markup":"2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate","IUPAC Name Preferred":"2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate","IUPAC Name Systematic":"2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoate","IUPAC Name Traditional":"(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propionic acid 2-(isopropylideneamino)oxyethyl ester",InChI:"1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1",InChIKey:"FROBCXTULYFHEJ-OAHLLOKOSA-N","Log P":4.6,"Exact Mass":443.1247985,"Molecular Formula":"C22H22ClN3O5","Molecular Weight":443.9,"Monoisotopic Mass":443.1247985,Charge:0,"Easy Name":"Propaquizafop","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C22Cl1H22N3O5"},16217045:{PUBCHEM:{CID:"16217045","Compound Complexity":62.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;dioxido(dioxo)molybdenum","IUPAC Name CAS-like Style":"Dioxido(dioxo)molybdenum;iron(2+)","IUPAC Name Markup":"Dioxido(dioxo)molybdenum;iron(2+)","IUPAC Name Preferred":"Dioxido(dioxo)molybdenum;iron(2+)","IUPAC Name Systematic":"Bis(oxidanidyl)-bis(oxidanylidene)molybdenum;iron(2+)","IUPAC Name Traditional":"Ferrous;diketo(dioxido)molybdenum",InChI:"1S/Fe.Mo.4O/q+2;;;;2*-1",InChIKey:"QQOCLJJWXLOEJE-UHFFFAOYSA-N","Exact Mass":217.819998,"Molecular Formula":"FeMoO4","Molecular Weight":215.8,"Monoisotopic Mass":217.819998,Charge:0,"Easy Name":"Iron (II) molybdate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1Mo1O4"},16217077:{PUBCHEM:{CID:"16217077","Compound Complexity":95.8,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;oxido(trioxo)rhenium","IUPAC Name CAS-like Style":"Calcium;oxido(trioxo)rhenium","IUPAC Name Markup":"Calcium;oxido(trioxo)rhenium","IUPAC Name Preferred":"Calcium;oxido(trioxo)rhenium","IUPAC Name Systematic":"Calcium;oxidanidyl-tris(oxidanylidene)rhenium","IUPAC Name Traditional":"Calcium;triketo(oxido)rhenium",InChI:"1S/Ca.8O.2Re/q+2;;;;;;;2*-1;;",InChIKey:"XUEVHMHMCGDTGT-UHFFFAOYSA-N","Exact Mass":539.83062,"Molecular Formula":"CaO8Re2","Molecular Weight":540.49,"Monoisotopic Mass":541.83341,Charge:0,"Easy Name":"Calcium Perrhenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1O8Re2"},16217292:{PUBCHEM:{CID:"16217292","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;hexaiodorhenium(2-)","IUPAC Name CAS-like Style":"Dipotassium;hexaiodorhenium(2-)","IUPAC Name Markup":"Dipotassium;hexaiodorhenium(2-)","IUPAC Name Preferred":"Dipotassium;hexaiodorhenium(2-)","IUPAC Name Systematic":"Dipotassium;hexakis(iodanyl)rhenium(2-)","IUPAC Name Traditional":"Dipotassium;hexaiodorhenium(2-)",InChI:"1S/6HI.2K.Re/h6*1H;;;/q;;;;;;2*+1;+4/p-6",InChIKey:"DFWHBRZEYYLAED-UHFFFAOYSA-H","Exact Mass":1026.31,"Molecular Formula":"I6K2Re","Molecular Weight":1025.83,"Monoisotopic Mass":1026.31,Charge:0,"Easy Name":"Potassium Hexaiodorhenate (IV)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"I6K2Re1"},16217372:{PUBCHEM:{CID:"16217372","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;tetrachlorogold(1-)","IUPAC Name CAS-like Style":"Lithium;tetrachlorogold(1-)","IUPAC Name Markup":"Lithium;tetrachlorogold(1-)","IUPAC Name Preferred":"Lithium;tetrachlorogold(1-)","IUPAC Name Systematic":"Lithium;tetrakis(chloranyl)gold(1-)","IUPAC Name Traditional":"Lithium;tetrachlorogold(1-)",InChI:"1S/Au.4ClH.Li/h;4*1H;/q+3;;;;;+1/p-4",InChIKey:"AAYAYBKNBYTUKW-UHFFFAOYSA-J","Exact Mass":345.855034,"Molecular Formula":"AuCl4Li","Molecular Weight":345.7,"Monoisotopic Mass":343.857984,Charge:0,"Easy Name":"Lithium tetrachloroaurate (1-)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Au1Cl4Li1"},16218584:{PUBCHEM:{CID:"16218584","Compound Complexity":4.9,"Hydrogen Bond Acceptor":22,"Hydrogen Bond Donor":16,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;ruthenium(2+);hexachloride;dihydrate","IUPAC Name CAS-like Style":"Ammonia;ruthenium(2+);hexachloride;dihydrate","IUPAC Name Markup":"Azane;ruthenium(2+);hexachloride;dihydrate","IUPAC Name Preferred":"Azane;ruthenium(2+);hexachloride;dihydrate","IUPAC Name Systematic":"Azane;ruthenium(2+);hexachloride;dihydrate","IUPAC Name Traditional":"Ammonia;ruthenium(2+);hexachloride;dihydrate",InChI:"1S/6ClH.14H3N.2H2O.3Ru/h6*1H;14*1H3;2*1H2;;;/q;;;;;;;;;;;;;;;;;;;;;;3*+2/p-6",InChIKey:"JQJSTVUROJELSR-UHFFFAOYSA-H","Exact Mass":792.91832,"Molecular Formula":"Cl6H46N14O2Ru3","Molecular Weight":790.4,"Monoisotopic Mass":789.91895,Charge:0,"Easy Name":"Ruthenium red","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6H46N14O2Ru3"},16682738:{PUBCHEM:{CID:"16682738","Compound Complexity":477,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":30,"IUPAC Name Allowed":"[dibutyl(dodecanoyloxy)stannyl] dodecanoate","IUPAC Name CAS-like Style":"Dodecanoic acid [dibutyl(1-oxododecoxy)stannyl] ester","IUPAC Name Markup":"[dibutyl(dodecanoyloxy)stannyl] dodecanoate","IUPAC Name Preferred":"[dibutyl(dodecanoyloxy)stannyl] dodecanoate","IUPAC Name Systematic":"[dibutyl(dodecanoyloxy)stannyl] dodecanoate","IUPAC Name Traditional":"Lauric acid [dibutyl(lauroyloxy)stannyl] ester",InChI:"1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2",InChIKey:"UKLDJPRMSDWDSL-UHFFFAOYSA-L","Exact Mass":632.382662,"Molecular Formula":"C32H64O4Sn","Molecular Weight":631.6,"Monoisotopic Mass":632.382662,Charge:0,"Easy Name":"Dibutyltin dilaurate","Easy Category":"Organometallic compounds"},HSDB:{"Boiling Point":{Value:"205 °C at 1.3 kPa (to convert kPa to mm Hg, multiply by 7.5)"},"Color And Form":{Value:"Soft crystals or yellow liquid"},Density:{Value:"1.05 g/cu cm @ 20 °C"},"Melting Point":{Value:"22-24 °C"},"Refractive Index":{Value:"Index of refraction: 1.4683 at 20 °C/D (for product made under French patent 1,320,473)"},Solubility:{Value:"Practically insol in methanol; sol in petroleum ether, benzene, acetone, ether, carbon tetrachloride, organic esters"},Uses:{Value:"Stabilizer for polyvinyl chloride resins. Catalyst for curing certain silicones."},"Vapor Density":{Value:"21.8 (Air = 1)"},Viscosity:{Value:"42 cP at 25 °C"}},ReducedFormula:"C32H64O4Sn1"},16682925:{PUBCHEM:{CID:"16682925","Compound Complexity":8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Trimethylalumane","IUPAC Name CAS-like Style":"Trimethylalumane","IUPAC Name Markup":"Trimethylalumane","IUPAC Name Preferred":"Trimethylalumane","IUPAC Name Systematic":"Trimethylalumane","IUPAC Name Traditional":"Trimethylalumane",InChI:"1S/3CH3.Al/h3*1H3;",InChIKey:"JLTRXTDYQLMHGR-UHFFFAOYSA-N","Exact Mass":72.0519637,"Molecular Formula":"C3H9Al","Molecular Weight":72.09,"Monoisotopic Mass":72.0519637,Charge:0,"Easy Name":"Trimethylaluminium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"Al1C3H9"},16682948:{PUBCHEM:{CID:"16682948","Compound Complexity":188,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":21,"IUPAC Name Allowed":"Trioctylalumane","IUPAC Name CAS-like Style":"Trioctylalumane","IUPAC Name Markup":"Trioctylalumane","IUPAC Name Preferred":"Trioctylalumane","IUPAC Name Systematic":"Trioctylalumane","IUPAC Name Traditional":"Trioctylalumane",InChI:"1S/3C8H17.Al/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;",InChIKey:"LFXVBWRMVZPLFK-UHFFFAOYSA-N","Exact Mass":366.3806151,"Molecular Formula":"C24H51Al","Molecular Weight":366.6,"Monoisotopic Mass":366.3806151,Charge:0,"Easy Name":"Trioctylaluminum","Easy Category":"Organometallic compounds"},HSDB:{"Color And Form":{Value:"Colorless liquid"},Density:{Value:"Density 0.8336 g/mL at 25 °C"},"Melting Point":{Value:"< -40 °C"},Uses:{Value:"Polyolefin catalyst"},Viscosity:{Value:"Viscosity: 14.2 cP at 30 °C"}},ReducedFormula:"Al1C24H51"},16683076:{PUBCHEM:{CID:"16683076","Compound Complexity":41.2,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Azidomercury","IUPAC Name CAS-like Style":"Azidomercury","IUPAC Name Markup":"Azidomercury","IUPAC Name Preferred":"Azidomercury","IUPAC Name Systematic":"Azidomercury","IUPAC Name Traditional":"Azidomercury",InChI:"1S/Hg.N3/c;1-3-2/q+1;-1",InChIKey:"NZJRLCPXRZLFGU-UHFFFAOYSA-N","Exact Mass":243.979866,"Molecular Formula":"HgN3","Molecular Weight":242.61,"Monoisotopic Mass":243.979866,Charge:0,"Easy Name":"Mercurous azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Hg1N3"},16683111:{PUBCHEM:{CID:"16683111","Compound Complexity":571,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"Tris(8-quinolyloxy)alumane","IUPAC Name CAS-like Style":"Tris(8-quinolinyloxy)alumane","IUPAC Name Markup":"Tri(quinolin-8-yloxy)alumane","IUPAC Name Preferred":"Tri(quinolin-8-yloxy)alumane","IUPAC Name Systematic":"Tri(quinolin-8-yloxy)alumane","IUPAC Name Traditional":"Tris(8-quinolyloxy)alumane",InChI:"1S/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3",InChIKey:"TVIVIEFSHFOWTE-UHFFFAOYSA-K","Exact Mass":459.1163549,"Molecular Formula":"C27H18AlN3O3","Molecular Weight":459.4,"Monoisotopic Mass":459.1163549,Charge:0,"Easy Name":"Tris (8-hydroxyquinolinato)aluminium","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Al1C27H18N3O3"},16683978:{PUBCHEM:{CID:"16683978","Compound Complexity":45,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"Acetoxyaluminum;dihydrate","IUPAC Name CAS-like Style":"Acetyloxyaluminum;dihydrate","IUPAC Name Markup":"Acetyloxyaluminum;dihydrate","IUPAC Name Preferred":"Acetyloxyaluminum;dihydrate","IUPAC Name Systematic":"Acetyloxyaluminum;dihydrate","IUPAC Name Traditional":"Acetoxyaluminum;dihydrate",InChI:"1S/C2H4O2.Al.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2/q;+1;;/p-1",InChIKey:"HDYRYUINDGQKMC-UHFFFAOYSA-M","Exact Mass":122.0159721,"Molecular Formula":"C2H7AlO4","Molecular Weight":122.06,"Monoisotopic Mass":122.0159721,Charge:0,"Easy Name":"Dihydroxyaluminum Acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"Al1C2H7O4"},16684203:{PUBCHEM:{CID:"16684203","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lambda1-thallanyloxythallium","IUPAC Name CAS-like Style":"Lambda1-thallanyloxythallium","IUPAC Name Markup":"λ1-thallanyloxythallium","IUPAC Name Preferred":"Lambda1-thallanyloxythallium","IUPAC Name Systematic":"Lambda1-thallanyloxythallium","IUPAC Name Traditional":"Lambda1-thallanyloxythallium",InChI:"1S/O.2Tl",InChIKey:"KFAIYPBIFILLEZ-UHFFFAOYSA-N","Exact Mass":425.94377,"Molecular Formula":"OTl2","Molecular Weight":424.77,"Monoisotopic Mass":425.94377,Charge:0,"Easy Name":"Thallium (I) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O1Tl2"},16684208:{PUBCHEM:{CID:"16684208","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(oxo)nickel","IUPAC Name CAS-like Style":"Hydroxy(oxo)nickel","IUPAC Name Markup":"Hydroxy(oxo)nickel","IUPAC Name Preferred":"Hydroxy(oxo)nickel","IUPAC Name Systematic":"Oxidanyl(oxidanylidene)nickel","IUPAC Name Traditional":"Hydroxy(keto)nickel",InChI:"1S/Ni.H2O.O/h;1H2;/q+1;;/p-1",InChIKey:"VUFYPLUHTVSSGR-UHFFFAOYSA-M","Exact Mass":90.932996,"Molecular Formula":"HNiO2","Molecular Weight":91.7,"Monoisotopic Mass":90.932996,Charge:0,"Easy Name":"Hydroxy (oxo)nickel","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H1Ni1O2"},16684234:{PUBCHEM:{CID:"16684234","Compound Complexity":2.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gallanyloxygallane","IUPAC Name CAS-like Style":"Gallanyloxygallane","IUPAC Name Markup":"Gallanyloxygallane","IUPAC Name Preferred":"Gallanyloxygallane","IUPAC Name Systematic":"Gallanyloxygallane","IUPAC Name Traditional":"Gallanyloxygallane",InChI:"1S/2Ga.O.4H",InChIKey:"HMIKDUAWGZVYFO-UHFFFAOYSA-N","Exact Mass":159.87649,"Molecular Formula":"Ga2H4O","Molecular Weight":159.48,"Monoisotopic Mass":157.87736,Charge:0,"Easy Name":"Digallium monoxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Ga2H4O1"},16684434:{PUBCHEM:{CID:"16684434","Compound Complexity":180,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Sodium;(2-carboxylatophenyl)sulfanyl-ethyl-mercury","IUPAC Name CAS-like Style":"Sodium;[(2-carboxylatophenyl)thio]-ethylmercury","IUPAC Name Markup":"Sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury","IUPAC Name Preferred":"Sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury","IUPAC Name Systematic":"Sodium;(2-carboxylatophenyl)sulfanyl-ethyl-mercury","IUPAC Name Traditional":"Sodium;[(2-carboxylatophenyl)thio]-ethyl-mercury",InChI:"1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2",InChIKey:"RTKIYNMVFMVABJ-UHFFFAOYSA-L","Exact Mass":405.992739,"Molecular Formula":"C9H9HgNaO2S","Molecular Weight":404.82,"Monoisotopic Mass":405.992739,Charge:0,"Easy Name":"Thiomersal","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Color And Form":{Value:"Cream colored, crystalline powder"},Odor:{Value:"Characteristic odor"},pH:{Value:"pH (1% solution): 6.7"},Solubility:{Value:"1 gram dissolves in about 8 ml of alcohol; practically insoluble in benzene and ether"},Uses:{Value:"For thimerosal (USEPA/OPP Pesticide Code: 078901) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"C9H9Hg1Na1O2S1"},16684437:{PUBCHEM:{CID:"16684437","Compound Complexity":280,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":8,"IUPAC Name Allowed":"Triacetoxyplumbyl acetate","IUPAC Name CAS-like Style":"Acetic acid triacetyloxyplumbyl ester","IUPAC Name Markup":"Triacetyloxyplumbyl acetate","IUPAC Name Preferred":"Triacetyloxyplumbyl acetate","IUPAC Name Systematic":"Triacetyloxyplumbyl ethanoate","IUPAC Name Traditional":"Acetic acid triacetoxyplumbyl ester",InChI:"1S/4C2H4O2.Pb/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4",InChIKey:"JEHCHYAKAXDFKV-UHFFFAOYSA-J","Exact Mass":444.02987,"Molecular Formula":"C8H12O8Pb","Molecular Weight":443,"Monoisotopic Mass":444.02987,Charge:0,"Easy Name":"Lead (IV) acetate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C8H12O8Pb1"},16684757:{PUBCHEM:{CID:"16684757","Compound Complexity":151,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Traditional":"Tris(nitrilogermyl)amine",InChI:"1S/Ge3N4/c4-1-7(2-5)3-6",InChIKey:"BIXHRBFZLLFBFL-UHFFFAOYSA-N","Exact Mass":271.779798,"Molecular Formula":"Ge3N4","Molecular Weight":273.9,"Monoisotopic Mass":277.7758293,Charge:0,"Easy Name":"Germanium nitride","Easy Category":"Nitride"},HSDB:{},ReducedFormula:"Ge3N4"},16684788:{PUBCHEM:{CID:"16684788","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxo(thioxoalumanylsulfanyl)alumane","IUPAC Name CAS-like Style":"Sulfanylidene-(sulfanylidenealumanylthio)alumane","IUPAC Name Markup":"Sulfanylidene(sulfanylidenealumanylsulfanyl)alumane","IUPAC Name Preferred":"Sulfanylidene(sulfanylidenealumanylsulfanyl)alumane","IUPAC Name Systematic":"Sulfanylidene(sulfanylidenealumanylsulfanyl)alumane","IUPAC Name Traditional":"Thioxo-(thioxoalumanylthio)alumane",InChI:"1S/2Al.3S",InChIKey:"ZPXDOGRYMSWBBM-UHFFFAOYSA-N","Exact Mass":149.87929,"Molecular Formula":"Al2S3","Molecular Weight":150.2,"Monoisotopic Mass":149.87929,Charge:0,"Easy Name":"Aluminium sulfide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Al2S3"},16684825:{PUBCHEM:{CID:"16684825","Compound Complexity":31.7,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"Trimethoxyalumane","IUPAC Name CAS-like Style":"Trimethoxyalumane","IUPAC Name Markup":"Trimethoxyalumane","IUPAC Name Preferred":"Trimethoxyalumane","IUPAC Name Systematic":"Trimethoxyalumane","IUPAC Name Traditional":"Trimethoxyalumane",InChI:"1S/3CH3O.Al/c3*1-2;/h3*1H3;/q3*-1;+3",InChIKey:"UAEJRRZPRZCUBE-UHFFFAOYSA-N","Exact Mass":120.0367076,"Molecular Formula":"C3H9AlO3","Molecular Weight":120.08,"Monoisotopic Mass":120.0367076,Charge:0,"Easy Name":"Aluminum Trimethoxide","Easy Category":"Alkoxide"},HSDB:{},ReducedFormula:"Al1C3H9O3"},16685054:{PUBCHEM:{CID:"16685054","Compound Complexity":164,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Alumanylidynemethyl(alumanylidynemethylalumanylidenemethylene)alumane","IUPAC Name CAS-like Style":"Alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane","IUPAC Name Markup":"Alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane","IUPAC Name Preferred":"Alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane","IUPAC Name Systematic":"Alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane","IUPAC Name Traditional":"Alumanylidynemethyl(alumanylidynemethylalumanylidenemethylene)alumane",InChI:"1S/3C.4Al",InChIKey:"CAVCGVPGBKGDTG-UHFFFAOYSA-N","Exact Mass":143.926154,"Molecular Formula":"C3Al4","Molecular Weight":143.96,"Monoisotopic Mass":143.926154,Charge:0,"Easy Name":"Aluminium carbide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Al4C3"},16685095:{PUBCHEM:{CID:"16685095","Compound Complexity":150,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(dioxotantaliooxy-lambda2-plumbanyl)oxy-dioxo-tantalum","IUPAC Name CAS-like Style":"(dioxotantaliooxy-lambda2-plumbanyl)oxy-dioxotantalum","IUPAC Name Markup":"(dioxotantaliooxy-λ2-plumbanyl)oxy-dioxotantalum","IUPAC Name Preferred":"(dioxotantaliooxy-lambda2-plumbanyl)oxy-dioxotantalum","IUPAC Name Systematic":"[bis(oxidanylidene)tantaliooxy-lambda2-plumbanyl]oxy-bis(oxidanylidene)tantalum","IUPAC Name Traditional":"(diketotantaliooxy-lambda2-plumbanyl)oxy-diketo-tantalum",InChI:"1S/6O.Pb.2Ta",InChIKey:"KNSIKTVGKTWOGA-UHFFFAOYSA-N","Exact Mass":665.84214,"Molecular Formula":"O6PbTa2","Molecular Weight":665,"Monoisotopic Mass":665.84214,Charge:0,"Easy Name":"Lead (II) tantalate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O6Pb1Ta2"},16685188:{PUBCHEM:{CID:"16685188","Compound Complexity":67.4,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3,5,7-tetraoxa-2lambda2,4,6lambda2-triplumbaspiro[3.3]heptane","IUPAC Name CAS-like Style":"1,3,5,7-tetraoxa-2lambda2,4,6lambda2-triplumbaspiro[3.3]heptane","IUPAC Name Markup":"1,3,5,7-tetraoxa-2λ2,4,6λ2-triplumbaspiro[3.3]heptane","IUPAC Name Preferred":"1,3,5,7-tetraoxa-2lambda2,4,6lambda2-triplumbaspiro[3.3]heptane","IUPAC Name Systematic":"1,3,5,7-tetraoxa-2lambda2,4,6lambda2-triplumbaspiro[3.3]heptane","IUPAC Name Traditional":"1,3,5,7-tetraoxa-2lambda2,4,6lambda2-triplumbaspiro[3.3]heptane",InChI:"1S/4O.3Pb",InChIKey:"XMFOQHDPRMAJNU-UHFFFAOYSA-N","Exact Mass":685.90743,"Molecular Formula":"O4Pb3","Molecular Weight":686,"Monoisotopic Mass":687.90961,Charge:0,"Easy Name":"Lead (II, IV) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O4Pb3"},16685273:{PUBCHEM:{CID:"16685273","Compound Complexity":34.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxo(thioxostibanylsulfanyl)stibane","IUPAC Name CAS-like Style":"Sulfanylidene-(sulfanylidenestibinylthio)stibine","IUPAC Name Markup":"Sulfanylidene(sulfanylidenestibanylsulfanyl)stibane","IUPAC Name Preferred":"Sulfanylidene(sulfanylidenestibanylsulfanyl)stibane","IUPAC Name Systematic":"Sulfanylidene(sulfanylidenestibanylsulfanyl)stibane","IUPAC Name Traditional":"Thioxo-(thioxostibinylthio)stibine",InChI:"1S/3S.2Sb",InChIKey:"IHBMMJGTJFPEQY-UHFFFAOYSA-N","Exact Mass":339.72424,"Molecular Formula":"S3Sb2","Molecular Weight":339.7,"Monoisotopic Mass":337.72383,Charge:0,"Easy Name":"Antimony trisulfide","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Gray, lustrous, crystalline masses or grayish-black powder; also exists in red modification"},Density:{Value:"4.562 g/cu cm at 25 °C"},"Melting Point":{Value:"550 °C"},"Refractive Index":{Value:"NATURAL STIBNITE: INDEX OF REFRACTION: 3.194, 4.064, 4.303."},Solubility:{Value:"Insoluble in water"},Uses:{Value:"In pyrotechnics, Bengal fires; manufacture ruby glass, matches, explosives; as a pigment in paints."}},ReducedFormula:"S3Sb2"},16687770:{PUBCHEM:{CID:"16687770","Compound Complexity":28.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Ethoxy(dimethyl)alumane","IUPAC Name CAS-like Style":"Ethoxy(dimethyl)alumane","IUPAC Name Markup":"Ethoxy(dimethyl)alumane","IUPAC Name Preferred":"Ethoxy(dimethyl)alumane","IUPAC Name Systematic":"Ethoxy(dimethyl)alumane","IUPAC Name Traditional":"Ethoxy(dimethyl)alumane",InChI:"1S/C2H5O.2CH3.Al/c1-2-3;;;/h2H2,1H3;2*1H3;/q-1;;;+1",InChIKey:"MWNKMBHGMZHEMM-UHFFFAOYSA-N","Exact Mass":102.0625284,"Molecular Formula":"C4H11AlO","Molecular Weight":102.11,"Monoisotopic Mass":102.0625284,Charge:0,"Easy Name":" (Ethanolato) (dimethyl)aluminium","Easy Category":"Organometallic compounds"},HSDB:{},ReducedFormula:"Al1C4H11O1"},16688490:{PUBCHEM:{CID:"16688490","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;hexafluoroantimony(1-)","IUPAC Name CAS-like Style":"Potassium;hexafluorostiboranuide","IUPAC Name Markup":"Potassium;hexafluoroantimony(1-)","IUPAC Name Preferred":"Potassium;hexafluoroantimony(1-)","IUPAC Name Systematic":"Potassium;hexakis(fluoranyl)antimony(1-)","IUPAC Name Traditional":"Potassium;hexafluorostiboranuide",InChI:"1S/6FH.K.Sb/h6*1H;;/q;;;;;;+1;+5/p-6",InChIKey:"LQKKGPUEJBHVHZ-UHFFFAOYSA-H","Exact Mass":273.85794,"Molecular Formula":"F6KSb","Molecular Weight":274.85,"Monoisotopic Mass":273.85794,Charge:0,"Easy Name":"Potassium hexafluoroantimonate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F6K1Sb1"},16689647:{PUBCHEM:{CID:"16689647","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;hexafluoroantimony(1-)","IUPAC Name CAS-like Style":"Sodium;hexafluorostiboranuide","IUPAC Name Markup":"Sodium;hexafluoroantimony(1-)","IUPAC Name Preferred":"Sodium;hexafluoroantimony(1-)","IUPAC Name Systematic":"Sodium;hexakis(fluoranyl)antimony(1-)","IUPAC Name Traditional":"Sodium;hexafluorostiboranuide",InChI:"1S/6FH.Na.Sb/h6*1H;;/q;;;;;;+1;+5/p-6",InChIKey:"HKLMYZVMEYYVBS-UHFFFAOYSA-H","Exact Mass":257.884,"Molecular Formula":"F6NaSb","Molecular Weight":258.74,"Monoisotopic Mass":257.884,Charge:0,"Easy Name":"Sodium hexafluoroantimonate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F6Na1Sb1"},16760189:{PUBCHEM:{CID:"16760189","Compound Complexity":651,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"Sodium;(5-iodo-2-methoxycarbonyl-phenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide","IUPAC Name CAS-like Style":"Sodium;(5-iodo-2-methoxycarbonylphenyl)sulfonyl-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]azanide","IUPAC Name Markup":"Sodium;(5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide","IUPAC Name Preferred":"Sodium;(5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide","IUPAC Name Systematic":"Sodium;(5-iodanyl-2-methoxycarbonyl-phenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide","IUPAC Name Traditional":"Sodium;(2-carbomethoxy-5-iodo-phenyl)sulfonyl-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoyl]azanide",InChI:"1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);/q;+1/p-1",InChIKey:"JUJFQMPKBJPSFZ-UHFFFAOYSA-M","Exact Mass":528.9529,"Molecular Formula":"C14H13IN5NaO6S","Molecular Weight":529.24,"Monoisotopic Mass":528.9529,Charge:0,"Easy Name":"Iodosulfuron-methyl-sodium","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C14H13I1N5Na1O6S1"},16760658:{PUBCHEM:{CID:"16760658","Compound Complexity":138,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Sodium;2-hydroxybenzoate","IUPAC Name CAS-like Style":"Sodium;2-hydroxybenzoate","IUPAC Name Markup":"Sodium;2-hydroxybenzoate","IUPAC Name Preferred":"Sodium;2-hydroxybenzoate","IUPAC Name Systematic":"Sodium;2-oxidanylbenzoate","IUPAC Name Traditional":"Sodium;salicylate",InChI:"1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",InChIKey:"ABBQHOQBGMUPJH-UHFFFAOYSA-M","Exact Mass":160.0136383,"Molecular Formula":"C7H5NaO3","Molecular Weight":160.1,"Monoisotopic Mass":160.0136383,Charge:0,"Easy Name":"Sodium salicylate","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"C7H5Na1O3"},17760436:{PUBCHEM:{CID:"17760436","Compound Complexity":100,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2,2-dibromobutanoic acid","IUPAC Name CAS-like Style":"2,2-dibromobutanoic acid","IUPAC Name Markup":"2,2-dibromobutanoic acid","IUPAC Name Preferred":"2,2-dibromobutanoic acid","IUPAC Name Systematic":"2,2-bis(bromanyl)butanoic acid","IUPAC Name Traditional":"2,2-dibromobutyric acid",InChI:"1S/C4H6Br2O2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8)",InChIKey:"QMHNFKJHFYCNRW-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":245.87141,"Molecular Formula":"C4H6Br2O2","Molecular Weight":245.9,"Monoisotopic Mass":243.87345,Charge:0,"Easy Name":"2, 2-Dibromobutanoic acid","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C4H6O2"},17792426:{PUBCHEM:{CID:"17792426","Compound Complexity":50,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Aziridin-2-one","IUPAC Name CAS-like Style":"2-aziridinone","IUPAC Name Markup":"Aziridin-2-one","IUPAC Name Preferred":"Aziridin-2-one","IUPAC Name Systematic":"Aziridin-2-one","IUPAC Name Traditional":"Ethylenimin-2-one",InChI:"1S/C2H3NO/c4-2-1-3-2/h1H2,(H,3,4)",InChIKey:"SNPIMBDCLUUDST-UHFFFAOYSA-N","Log P":-.7,"Exact Mass":57.021463721,"Molecular Formula":"C2H3NO","Molecular Weight":57.05,"Monoisotopic Mass":57.021463721,Charge:0,"Easy Name":"2-Aziridinone","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C2H3N1O1"},17864302:{PUBCHEM:{CID:"17864302","Compound Complexity":60.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclopentane-1,1-diol","IUPAC Name CAS-like Style":"Cyclopentane-1,1-diol","IUPAC Name Markup":"Cyclopentane-1,1-diol","IUPAC Name Preferred":"Cyclopentane-1,1-diol","IUPAC Name Systematic":"Cyclopentane-1,1-diol","IUPAC Name Traditional":"Cyclopentane-1,1-diol",InChI:"1S/C5H10O2/c6-5(7)3-1-2-4-5/h6-7H,1-4H2",InChIKey:"UYDJAHJCGZTTHB-UHFFFAOYSA-N","Log P":0,"Exact Mass":102.068079562,"Molecular Formula":"C5H10O2","Molecular Weight":102.13,"Monoisotopic Mass":102.068079562,Charge:0,"Easy Name":"1, 1-Cyclopentanediol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"C5H10O2"},17903140:{PUBCHEM:{CID:"17903140","Compound Complexity":176,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Cyclodecylcyclodecane","IUPAC Name CAS-like Style":"Cyclodecylcyclodecane","IUPAC Name Markup":"Cyclodecylcyclodecane","IUPAC Name Preferred":"Cyclodecylcyclodecane","IUPAC Name Systematic":"Cyclodecylcyclodecane","IUPAC Name Traditional":"Cyclodecylcyclodecane",InChI:"1S/C20H38/c1-3-7-11-15-19(16-12-8-4-1)20-17-13-9-5-2-6-10-14-18-20/h19-20H,1-18H2",InChIKey:"XSYZCZPCBXYQTE-UHFFFAOYSA-N","Log P":10,"Exact Mass":278.29735123,"Molecular Formula":"C20H38","Molecular Weight":278.5,"Monoisotopic Mass":278.29735123,Charge:0,"Easy Name":"Bicyclodecane","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C20H38"},17996040:{PUBCHEM:{CID:"17996040","Compound Complexity":302,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"Pyridine-2,3,5-tricarboxylic acid","IUPAC Name CAS-like Style":"Pyridine-2,3,5-tricarboxylic acid","IUPAC Name Markup":"Pyridine-2,3,5-tricarboxylic acid","IUPAC Name Preferred":"Pyridine-2,3,5-tricarboxylic acid","IUPAC Name Systematic":"Pyridine-2,3,5-tricarboxylic acid","IUPAC Name Traditional":"Pyridine-2,3,5-tricarboxylic acid",InChI:"1S/C8H5NO6/c10-6(11)3-1-4(7(12)13)5(8(14)15)9-2-3/h1-2H,(H,10,11)(H,12,13)(H,14,15)",InChIKey:"NVONKHVIUAWOAO-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":211.01168688,"Molecular Formula":"C8H5NO6","Molecular Weight":211.13,"Monoisotopic Mass":211.01168688,Charge:0,"Easy Name":"2, 3, 5-pyridinetricarboxylic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C8H5N1O6"},18183579:{PUBCHEM:{CID:"18183579","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Strontium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Strontium;fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Strontium;fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Strontium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Strontium;fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Strontium;fluoro-keto-dioxido-phosphorane",InChI:"1S/FH2O3P.Sr/c1-5(2,3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"CHQQHEGHDVQYRC-UHFFFAOYSA-L","Exact Mass":185.86252128,"Molecular Formula":"FO3PSr","Molecular Weight":185.6,"Monoisotopic Mass":185.86252128,Charge:0,"Easy Name":"Strontium monofluorophosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1O3P1Sr1"},18330875:{PUBCHEM:{CID:"18330875","Compound Complexity":199,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1-nitro-2-(tribromomethyl)benzene","IUPAC Name CAS-like Style":"1-nitro-2-(tribromomethyl)benzene","IUPAC Name Markup":"1-nitro-2-(tribromomethyl)benzene","IUPAC Name Preferred":"1-nitro-2-(tribromomethyl)benzene","IUPAC Name Systematic":"1-nitro-2-[tris(bromanyl)methyl]benzene","IUPAC Name Traditional":"1-nitro-2-(tribromomethyl)benzene",InChI:"1S/C7H4Br3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4H",InChIKey:"XYQBSMKQEYVKAA-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":372.77717,"Molecular Formula":"C7H4Br3NO2","Molecular Weight":373.82,"Monoisotopic Mass":370.77922,Charge:0,"Easy Name":"1-nitro-2- (tribromomethyl)benzene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"Br3C7H4N1O2"},18387021:{PUBCHEM:{CID:"18387021","Compound Complexity":15.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Mercuric;diazide","IUPAC Name CAS-like Style":"Mercury(2+);diazide","IUPAC Name Markup":"Mercury(2+);diazide","IUPAC Name Preferred":"Mercury(2+);diazide","IUPAC Name Systematic":"Mercury(2+);diazide","IUPAC Name Traditional":"Mercuric;diazide",InChI:"1S/Hg.2N3/c;2*1-3-2/q+2;2*-1",InChIKey:"AABWORNWDBBTBM-UHFFFAOYSA-N","Exact Mass":285.989088,"Molecular Formula":"HgN6","Molecular Weight":284.63,"Monoisotopic Mass":285.989088,Charge:0,"Easy Name":"Mercury diazide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Hg1N6"},18424052:{PUBCHEM:{CID:"18424052","Compound Complexity":15.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cuprous;azide","IUPAC Name CAS-like Style":"Copper(1+);azide","IUPAC Name Markup":"Copper(1+);azide","IUPAC Name Preferred":"Copper(1+);azide","IUPAC Name Systematic":"Copper(1+);azide","IUPAC Name Traditional":"Cuprous;azide",InChI:"1S/Cu.N3/c;1-3-2/q+1;-1",InChIKey:"IXSIQMIYJPIHFR-UHFFFAOYSA-N","Exact Mass":104.938819,"Molecular Formula":"CuN3","Molecular Weight":105.57,"Monoisotopic Mass":104.938819,Charge:0,"Easy Name":"Copper (I) Azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cu1N3"},18469520:{PUBCHEM:{CID:"18469520","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rhenium;tetrafluoride","IUPAC Name CAS-like Style":"Rhenium;tetrafluoride","IUPAC Name Markup":"Rhenium;tetrafluoride","IUPAC Name Preferred":"Rhenium;tetrafluoride","IUPAC Name Systematic":"Rhenium;tetrafluoride","IUPAC Name Traditional":"Rhenium;tetrafluoride",InChI:"1S/4FH.Re/h4*1H;/p-4",InChIKey:"IZVAOCKUNBYXSU-UHFFFAOYSA-J","Exact Mass":262.949365,"Molecular Formula":"F4Re-4","Molecular Weight":262.2,"Monoisotopic Mass":262.949365,Charge:-4,"Easy Name":"Rhenium (IV) fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-4F4Re1"},18625100:{PUBCHEM:{CID:"18625100","Compound Complexity":130,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cyclohexane-1,3,5-trione","IUPAC Name CAS-like Style":"Cyclohexane-1,3,5-trione","IUPAC Name Markup":"Cyclohexane-1,3,5-trione","IUPAC Name Preferred":"Cyclohexane-1,3,5-trione","IUPAC Name Systematic":"Cyclohexane-1,3,5-trione","IUPAC Name Traditional":"Cyclohexane-1,3,5-trione",InChI:"1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3H2",InChIKey:"GKSCYYCYSPXQFY-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":126.031694052,"Molecular Formula":"C6H6O3","Molecular Weight":126.11,"Monoisotopic Mass":126.031694052,Charge:0,"Easy Name":"1, 3, 5-Cyclohexanetrione","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C6H6O3"},18626753:{PUBCHEM:{CID:"18626753","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromous;diiodide","IUPAC Name CAS-like Style":"Chromium(2+);diiodide","IUPAC Name Markup":"Chromium(2+);diiodide","IUPAC Name Preferred":"Chromium(2+);diiodide","IUPAC Name Systematic":"Chromium(2+);diiodide","IUPAC Name Traditional":"Chromous;diiodide",InChI:"1S/Cr.2HI/h;2*1H/q+2;;/p-2",InChIKey:"BMSDTRMGXCBBBH-UHFFFAOYSA-L","Exact Mass":305.74945,"Molecular Formula":"CrI2","Molecular Weight":305.805,"Monoisotopic Mass":305.74945,Charge:0,"Easy Name":"Chromium (2+);diiodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1I2"},18725796:{PUBCHEM:{CID:"18725796","Compound Complexity":403,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"2,3,7,8,23,24-hexahydroporphyrin","IUPAC Name CAS-like Style":"2,3,7,8,23,24-hexahydroporphyrin","IUPAC Name Markup":"2,3,7,8,23,24-hexahydroporphyrin","IUPAC Name Preferred":"2,3,7,8,23,24-hexahydroporphyrin","IUPAC Name Systematic":"2,3,7,8,23,24-hexahydroporphyrin","IUPAC Name Traditional":"2,3,7,8,23,24-hexahydroporphine",InChI:"1S/C20H18N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-4,9-12,21-22H,5-8H2",InChIKey:"BMMKBVLOIDKBCY-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":314.1531466,"Molecular Formula":"C20H18N4","Molecular Weight":314.4,"Monoisotopic Mass":314.1531466,Charge:0,"Easy Name":"Isobacteriochlorin","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"C20H18N4"},18942321:{PUBCHEM:{CID:"18942321","Compound Complexity":394,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"6,8-difluoro-7-hydroxy-2-oxo-chromene-3-carboxylic acid","IUPAC Name CAS-like Style":"6,8-difluoro-7-hydroxy-2-oxo-1-benzopyran-3-carboxylic acid","IUPAC Name Markup":"6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylic acid","IUPAC Name Preferred":"6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylic acid","IUPAC Name Systematic":"6,8-bis(fluoranyl)-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylic acid","IUPAC Name Traditional":"6,8-difluoro-7-hydroxy-2-keto-chromene-3-carboxylic acid",InChI:"1S/C10H4F2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)6(12)7(5)13/h1-2,13H,(H,14,15)",InChIKey:"VYNDHICBIRRPFP-UHFFFAOYSA-N","Log P":2,"Exact Mass":242.00267955,"Molecular Formula":"C10H4F2O5","Molecular Weight":242.13,"Monoisotopic Mass":242.00267955,Charge:0,"Easy Name":"Pacific Blue","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C10F2H4O5"},18954258:{PUBCHEM:{CID:"18954258","Compound Complexity":0,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Silver;azanide","IUPAC Name CAS-like Style":"Silver;azanide","IUPAC Name Markup":"Silver;azanide","IUPAC Name Preferred":"Silver;azanide","IUPAC Name Systematic":"Silver;azanide","IUPAC Name Traditional":"Silver;azanide",InChI:"1S/Ag.H2N/h;1H2/q+1;-1",InChIKey:"UXLRAFSUPRUBFW-UHFFFAOYSA-N","Exact Mass":122.92382,"Molecular Formula":"AgH2N","Molecular Weight":123.891,"Monoisotopic Mass":122.92382,Charge:0,"Easy Name":"Aminosilver (I)","Easy Category":"Inorganic amides"},HSDB:{},ReducedFormula:"Ag1H2N1"},18955717:{PUBCHEM:{CID:"18955717","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Titanium(3+);triiodide","IUPAC Name CAS-like Style":"Titanium(3+);triiodide","IUPAC Name Markup":"Titanium(3+);triiodide","IUPAC Name Preferred":"Titanium(3+);triiodide","IUPAC Name Systematic":"Titanium(3+);triiodide","IUPAC Name Traditional":"Titanium(3+);triiodide",InChI:"1S/3HI.Ti/h3*1H;/q;;;+3/p-3",InChIKey:"HUYLAMJIPCOVOM-UHFFFAOYSA-K","Exact Mass":428.6614,"Molecular Formula":"I3Ti","Molecular Weight":428.58,"Monoisotopic Mass":428.6614,Charge:0,"Easy Name":"Titanium (III) iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I3Ti1"},19601409:{PUBCHEM:{CID:"19601409","Compound Complexity":34.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1-dibromoethanol","IUPAC Name CAS-like Style":"1,1-dibromoethanol","IUPAC Name Markup":"1,1-dibromoethanol","IUPAC Name Preferred":"1,1-dibromoethanol","IUPAC Name Systematic":"1,1-bis(bromanyl)ethanol","IUPAC Name Traditional":"1,1-dibromoethanol",InChI:"1S/C2H4Br2O/c1-2(3,4)5/h5H,1H3",InChIKey:"VRPLZTMSEURZKM-UHFFFAOYSA-N","Log P":1.5,"Exact Mass":203.86084,"Molecular Formula":"C2H4Br2O","Molecular Weight":203.86,"Monoisotopic Mass":201.86289,Charge:0,"Easy Name":"1, 1-dibromoethanol","Easy Category":"Organobromides"},HSDB:{},ReducedFormula:"Br2C2H4O1"},20055003:{PUBCHEM:{CID:"20055003","Compound Complexity":560,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,4Z,6S,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione","IUPAC Name CAS-like Style":"(1R,4Z,6S,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione","IUPAC Name Markup":"(1R,4Z,6S,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione","IUPAC Name Preferred":"(1R,4Z,6S,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione","IUPAC Name Systematic":"(1R,4Z,6S,7R,11S,17R)-4-ethylidene-6,7-dimethyl-7-oxidanyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione","IUPAC Name Traditional":"(1R,4Z,6S,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-quinone",InChI:"1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13+,14+,15+,18+/m0/s1",InChIKey:"BTHCJHQOYFUIMG-BQSAVQNUSA-N","Log P":1.9,"Exact Mass":337.18892297,"Molecular Formula":"C18H27NO5","Molecular Weight":337.4,"Monoisotopic Mass":337.18892297,Charge:0,"Easy Name":"Platifillin","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C18H27N1O5"},20055508:{PUBCHEM:{CID:"20055508","Compound Complexity":1960,"Hydrogen Bond Acceptor":19,"Hydrogen Bond Donor":14,"Rotatable Bond":16,"IUPAC Name Allowed":"3-[[(10E,12E,20E)-15-[(E)-1,3-dimethyl-11-[(N'-methylcarbamimidoyl)amino]undec-7-enyl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxo-propanoic acid","IUPAC Name CAS-like Style":"3-[[(10E,12E,20E)-15-[(E)-12-[[amino(methylimino)methyl]amino]-4-methyldodec-8-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxopropanoic acid","IUPAC Name Markup":"3-oxo-3-[[(10E,12E,20E)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]propanoic acid","IUPAC Name Preferred":"3-oxo-3-[[(10E,12E,20E)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]propanoic acid","IUPAC Name Systematic":"3-[[(10E,12E,20E)-8,14,18,22,26,30-hexamethyl-15-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxidanylidene-propanoic acid","IUPAC Name Traditional":"3-[[(10E,12E,20E)-15-[(E)-1,3-dimethyl-11-[(N'-methylamidino)amino]undec-7-enyl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-17-keto-8,14,18,22,26,30-hexamethyl-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-keto-propionic acid",InChI:"1S/C59H103N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)28-42(63)27-43(78-54(74)32-53(72)73)29-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-21,24,34-52,55-56,63-71,75,77H,12-14,17-18,22-23,25-33H2,1-9H3,(H,72,73)(H3,60,61,62)/b11-10+,19-15+,20-16+,24-21+",InChIKey:"VAYOSPAPALLOIO-GCLDGCTISA-N","Log P":4.9,"Exact Mass":1141.72366349,"Molecular Formula":"C59H103N3O18","Molecular Weight":1142.5,"Monoisotopic Mass":1141.72366349,Charge:0,"Easy Name":"Niphimycin","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C59H103N3O18"},20073750:{PUBCHEM:{CID:"20073750","Compound Complexity":18.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;sodium;sulfite","IUPAC Name CAS-like Style":"Potassium;sodium;sulfite","IUPAC Name Markup":"Potassium;sodium;sulfite","IUPAC Name Preferred":"Potassium;sodium;sulfite","IUPAC Name Systematic":"Potassium;sodium;sulfite","IUPAC Name Traditional":"Potassium;sodium;sulfite",InChI:"1S/K.Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",InChIKey:"NRTBZBYBLPEOCE-UHFFFAOYSA-L","Exact Mass":141.9102908,"Molecular Formula":"KNaO3S","Molecular Weight":142.15,"Monoisotopic Mass":141.9102908,Charge:0,"Easy Name":"Potassium sodium sulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K1Na1O3S1"},20228385:{PUBCHEM:{CID:"20228385","Compound Complexity":36.5,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;triiodate","IUPAC Name CAS-like Style":"Iron(3+);triiodate","IUPAC Name Markup":"Iron(3+);triiodate","IUPAC Name Preferred":"Iron(3+);triiodate","IUPAC Name Systematic":"Iron(3+);triiodate","IUPAC Name Traditional":"Ferric;triiodate",InChI:"1S/Fe.3HIO3/c;3*2-1(3)4/h;3*(H,2,3,4)/q+3;;;/p-3",InChIKey:"PEZJUZJBZZQDQC-UHFFFAOYSA-K","Exact Mass":580.6026,"Molecular Formula":"FeI3O9","Molecular Weight":580.55,"Monoisotopic Mass":580.6026,Charge:0,"Easy Name":"Ferric iodate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1I3O9"},20313262:{PUBCHEM:{CID:"20313262","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Azanide;cadmium(2+)","IUPAC Name CAS-like Style":"Azanide;cadmium(2+)","IUPAC Name Markup":"Azanide;cadmium(2+)","IUPAC Name Preferred":"Azanide;cadmium(2+)","IUPAC Name Systematic":"Azanide;cadmium(2+)","IUPAC Name Traditional":"Azanide;cadmium(2+)",InChI:"1S/Cd.2H2N/h;2*1H2/q+2;2*-1",InChIKey:"NVCRZOMXIYIIDK-UHFFFAOYSA-N","Exact Mass":145.940813,"Molecular Formula":"CdH4N2","Molecular Weight":144.46,"Monoisotopic Mass":145.940813,Charge:0,"Easy Name":"Cadmium Amide","Easy Category":"Inorganic amides"},HSDB:{},ReducedFormula:"Cd1H4N2"},20405526:{PUBCHEM:{CID:"20405526","Compound Complexity":84.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,3-trifluorocyclohexane","IUPAC Name CAS-like Style":"1,2,3-trifluorocyclohexane","IUPAC Name Markup":"1,2,3-trifluorocyclohexane","IUPAC Name Preferred":"1,2,3-trifluorocyclohexane","IUPAC Name Systematic":"1,2,3-tris(fluoranyl)cyclohexane","IUPAC Name Traditional":"1,2,3-trifluorocyclohexane",InChI:"1S/C6H9F3/c7-4-2-1-3-5(8)6(4)9/h4-6H,1-3H2",InChIKey:"GKPQKJJYHFXMAA-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":138.06563478,"Molecular Formula":"C6H9F3","Molecular Weight":138.13,"Monoisotopic Mass":138.06563478,Charge:0,"Easy Name":"1, 2, 3-trifluorocyclohexane","Easy Category":"Organofluorides"},HSDB:{},ReducedFormula:"C6F3H9"},20466441:{PUBCHEM:{CID:"20466441","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(3+);trihydroxide","IUPAC Name CAS-like Style":"Thallium(3+);trihydroxide","IUPAC Name Markup":"Thallium(3+);trihydroxide","IUPAC Name Preferred":"Thallium(3+);trihydroxide","IUPAC Name Systematic":"Thallium(3+);trihydroxide","IUPAC Name Traditional":"Thallium(3+);trihydroxide",InChI:"1S/3H2O.Tl/h3*1H2;/q;;;+3/p-3",InChIKey:"GEPJDKDOADVEKE-UHFFFAOYSA-K","Exact Mass":255.98265,"Molecular Formula":"H3O3Tl","Molecular Weight":255.41,"Monoisotopic Mass":255.98265,Charge:0,"Easy Name":"Thallium (III) hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H3O3Tl1"},20515258:{PUBCHEM:{CID:"20515258","Compound Complexity":115,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"3-chloroprop-2-ynoic acid","IUPAC Name CAS-like Style":"3-chloro-2-propynoic acid","IUPAC Name Markup":"3-chloroprop-2-ynoic acid","IUPAC Name Preferred":"3-chloroprop-2-ynoic acid","IUPAC Name Systematic":"3-chloranylprop-2-ynoic acid","IUPAC Name Traditional":"3-chloropropiolic acid",InChI:"1S/C3HClO2/c4-2-1-3(5)6/h(H,5,6)",InChIKey:"FAHNQEQHVOLRSI-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":103.966507,"Molecular Formula":"C3HClO2","Molecular Weight":104.49,"Monoisotopic Mass":103.966507,Charge:0,"Easy Name":"3-chloroprop-2-ynoic acid","Easy Category":"Alkyne"},HSDB:{},ReducedFormula:"C3Cl1H1O2"},20831815:{PUBCHEM:{CID:"20831815","Compound Complexity":7.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Nickelous;dinitrite","IUPAC Name CAS-like Style":"Nickel(2+);dinitrite","IUPAC Name Markup":"Nickel(2+);dinitrite","IUPAC Name Preferred":"Nickel(2+);dinitrite","IUPAC Name Systematic":"Nickel(2+);dinitrite","IUPAC Name Traditional":"Nickelous;dinitrite",InChI:"1S/2HNO2.Ni/c2*2-1-3;/h2*(H,2,3);/q;;+2/p-2",InChIKey:"ZVHHIDVFSYXCEW-UHFFFAOYSA-L","Exact Mass":149.921148,"Molecular Formula":"N2NiO4","Molecular Weight":150.7,"Monoisotopic Mass":149.921148,Charge:0,"Easy Name":"Nickel (II) nitrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"N2Ni1O4"},20836124:{PUBCHEM:{CID:"20836124","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Barium(2+);fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Barium(2+);fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Barium(2+);fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Barium(2+);fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Barium(2+);fluoro-keto-dioxido-phosphorane",InChI:"1S/Ba.FH2O3P/c;1-5(2,3)4/h;(H2,2,3,4)/q+2;/p-2",InChIKey:"QNHNZAMKMLIQRR-UHFFFAOYSA-L","Exact Mass":235.862156,"Molecular Formula":"BaFO3P","Molecular Weight":235.3,"Monoisotopic Mass":235.862156,Charge:0,"Easy Name":"Barium phosphorofluoridate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1F1O3P1"},20841688:{PUBCHEM:{CID:"20841688","Compound Complexity":18.8,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Scandium(3+);tricarbonate","IUPAC Name CAS-like Style":"Scandium(3+);tricarbonate","IUPAC Name Markup":"Scandium(3+);tricarbonate","IUPAC Name Preferred":"Scandium(3+);tricarbonate","IUPAC Name Systematic":"Scandium(3+);tricarbonate","IUPAC Name Traditional":"Scandium(3+);tricarbonate",InChI:"1S/3CH2O3.2Sc/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",InChIKey:"NYMLCLICEBTBKR-UHFFFAOYSA-H","Exact Mass":269.86605,"Molecular Formula":"C3O9Sc2","Molecular Weight":269.94,"Monoisotopic Mass":269.86605,Charge:0,"Easy Name":"Scandium (III) carbonate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C3O9Sc2"},20846323:{PUBCHEM:{CID:"20846323","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Zinc;fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Zinc;fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Zinc;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Zinc;fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Zinc;fluoro-keto-dioxido-phosphorane",InChI:"1S/FH2O3P.Zn/c1-5(2,3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"SSFRJJARVXKYME-UHFFFAOYSA-L","Exact Mass":161.886051,"Molecular Formula":"FO3PZn","Molecular Weight":163.4,"Monoisotopic Mass":161.886051,Charge:0,"Easy Name":"Zinc Fluorophosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1O3P1Zn1"},21120559:{PUBCHEM:{CID:"21120559","Compound Complexity":410,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":7,"Rotatable Bond":9,"IUPAC Name Allowed":"(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]hexan-2-one","IUPAC Name CAS-like Style":"(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-hexanone","IUPAC Name Markup":"(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]hexan-2-one","IUPAC Name Preferred":"(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]hexan-2-one","IUPAC Name Systematic":"(3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-1-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]hexan-2-one","IUPAC Name Traditional":"(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]hexan-2-one",InChI:"1S/C16H22N2O6/c19-8-14(22)16(24)15(23)13(21)7-17-4-3-9-6-18-12-2-1-10(20)5-11(9)12/h1-2,5-6,14-20,22-24H,3-4,7-8H2/t14-,15-,16-/m1/s1",InChIKey:"CKNYSJONUIBYCK-BZUAXINKSA-N","Log P":-2.1,"Exact Mass":338.14778644,"Molecular Formula":"C16H22N2O6","Molecular Weight":338.36,"Monoisotopic Mass":338.14778644,Charge:0,"Easy Name":"Desoxyfructo-serotonin","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C16H22N2O6"},21124336:{PUBCHEM:{CID:"21124336","Compound Complexity":76.5,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;platinum(2+);tetracyanide","IUPAC Name CAS-like Style":"Dipotassium;platinum(2+);tetracyanide","IUPAC Name Markup":"Dipotassium;platinum(2+);tetracyanide","IUPAC Name Preferred":"Dipotassium;platinum(2+);tetracyanide","IUPAC Name Systematic":"Dipotassium;platinum(2+);tetracyanide","IUPAC Name Traditional":"Dipotassium;platinum(2+);tetracyanide",InChI:"1S/4CN.2K.Pt/c4*1-2;;;/q4*-1;2*+1;+2",InChIKey:"QFTWTIKOKWPUAM-UHFFFAOYSA-N","Exact Mass":376.904503,"Molecular Formula":"C4K2N4Pt","Molecular Weight":377.35,"Monoisotopic Mass":376.904503,Charge:0,"Easy Name":"Potassium tetracyanoplatinate (II)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C4K2N4Pt1"},21149313:{PUBCHEM:{CID:"21149313","Compound Complexity":31.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cadmium(2+);dithiocyanate","IUPAC Name CAS-like Style":"Cadmium(2+);dithiocyanate","IUPAC Name Markup":"Cadmium(2+);dithiocyanate","IUPAC Name Preferred":"Cadmium(2+);dithiocyanate","IUPAC Name Systematic":"Cadmium(2+);dithiocyanate","IUPAC Name Traditional":"Cadmium(2+);dithiocyanate",InChI:"1S/2CHNS.Cd/c2*2-1-3;/h2*3H;/q;;+2/p-2",InChIKey:"TZXPSFJFFMFFNL-UHFFFAOYSA-L","Exact Mass":229.853655,"Molecular Formula":"C2CdN2S2","Molecular Weight":228.6,"Monoisotopic Mass":229.853655,Charge:0,"Easy Name":"Cadmium Dithiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C2Cd1N2S2"},21225127:{PUBCHEM:{CID:"21225127","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(2+);difluoride","IUPAC Name CAS-like Style":"Europium(2+);difluoride","IUPAC Name Markup":"Europium(2+);difluoride","IUPAC Name Preferred":"Europium(2+);difluoride","IUPAC Name Systematic":"Europium(2+);difluoride","IUPAC Name Traditional":"Europium(2+);difluoride",InChI:"1S/Eu.2FH/h;2*1H/q+2;;/p-2",InChIKey:"YLDGIMHVWSTRML-UHFFFAOYSA-L","Exact Mass":190.91804,"Molecular Formula":"EuF2","Molecular Weight":189.96,"Monoisotopic Mass":190.91804,Charge:0,"Easy Name":"Europium (II) fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Eu1F2"},21584057:{PUBCHEM:{CID:"21584057","Compound Complexity":37,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,2,4-trioxane","IUPAC Name CAS-like Style":"1,2,4-trioxane","IUPAC Name Markup":"1,2,4-trioxane","IUPAC Name Preferred":"1,2,4-trioxane","IUPAC Name Systematic":"1,2,4-trioxane","IUPAC Name Traditional":"1,2,4-trioxane",InChI:"1S/C3H6O3/c1-2-5-6-3-4-1/h1-3H2",InChIKey:"FQERLIOIVXPZKH-UHFFFAOYSA-N","Log P":-.2,"Exact Mass":90.031694052,"Molecular Formula":"C3H6O3","Molecular Weight":90.08,"Monoisotopic Mass":90.031694052,Charge:0,"Easy Name":"1, 2, 4-trioxane","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C3H6O3"},21627867:{PUBCHEM:{CID:"21627867","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4S,5R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1",InChIKey:"AVVWPBAENSWJCB-PHYPRBDBSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Altrofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},21627868:{PUBCHEM:{CID:"21627868","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3R,4R,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4-,5+,6+/m1/s1",InChIKey:"AVVWPBAENSWJCB-TVIMKVIFSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-D-Galactofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},21627869:{PUBCHEM:{CID:"21627869","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4R,5R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",InChIKey:"AVVWPBAENSWJCB-VFUOTHLCSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Β-D-Mannofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},21627871:{PUBCHEM:{CID:"21627871","Compound Complexity":139,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3R,4R,5S)-5-[(1R)-1-hydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3R,4R,5S)-5-[(1R)-1-hydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3R,4R,5S)-5-[(1R)-1-hydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3R,4R,5S)-5-[(1R)-1-hydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3R,4R,5S)-5-[(1R)-1-oxidanylethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3R,4R,5S)-5-[(1R)-1-hydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3/t2-,3-,4-,5+,6-/m1/s1",InChIKey:"AFNUZVCFKQUDBJ-DGPNFKTASA-N","Log P":-1.5,"Exact Mass":164.06847348,"Molecular Formula":"C6H12O5","Molecular Weight":164.16,"Monoisotopic Mass":164.06847348,Charge:0,"Easy Name":"Β-D-Fucofuranose","Easy Category":"Monosaccharide"},HSDB:{},ReducedFormula:"C6H12O5"},21652192:{PUBCHEM:{CID:"21652192","Compound Complexity":15.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;diazide","IUPAC Name CAS-like Style":"Magnesium;diazide","IUPAC Name Markup":"Magnesium;diazide","IUPAC Name Preferred":"Magnesium;diazide","IUPAC Name Systematic":"Magnesium;diazide","IUPAC Name Traditional":"Magnesium;diazide",InChI:"1S/Mg.2N3/c;2*1-3-2/q+2;2*-1",InChIKey:"TWRAJPCQPHBABR-UHFFFAOYSA-N","Exact Mass":108.0034857,"Molecular Formula":"MgN6","Molecular Weight":108.35,"Monoisotopic Mass":108.0034857,Charge:0,"Easy Name":"Magnesium azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Mg1N6"},21722946:{PUBCHEM:{CID:"21722946","Compound Complexity":611,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"(1R,2S,5S)-2,5-bis(1,3-benzodioxol-5-yl)-3,6-dioxabicyclo[3.2.1]octan-8-one","IUPAC Name CAS-like Style":"(1R,2S,5S)-2,5-bis(1,3-benzodioxol-5-yl)-3,6-dioxabicyclo[3.2.1]octan-8-one","IUPAC Name Markup":"(1R,2S,5S)-2,5-bis(1,3-benzodioxol-5-yl)-3,6-dioxabicyclo[3.2.1]octan-8-one","IUPAC Name Preferred":"(1R,2S,5S)-2,5-bis(1,3-benzodioxol-5-yl)-3,6-dioxabicyclo[3.2.1]octan-8-one","IUPAC Name Systematic":"(1R,2S,5S)-2,5-bis(1,3-benzodioxol-5-yl)-3,6-dioxabicyclo[3.2.1]octan-8-one","IUPAC Name Traditional":"(1R,2S,5S)-2,5-bis(1,3-benzodioxol-5-yl)-3,6-dioxabicyclo[3.2.1]octan-8-one",InChI:"1S/C20H16O7/c21-19-13-7-27-20(19,12-2-4-15-17(6-12)26-10-24-15)8-22-18(13)11-1-3-14-16(5-11)25-9-23-14/h1-6,13,18H,7-10H2/t13-,18-,20-/m1/s1",InChIKey:"NNFGXXXVGRYOSF-CFSSXQINSA-N","Log P":2,"Exact Mass":368.08960285,"Molecular Formula":"C20H16O7","Molecular Weight":368.3,"Monoisotopic Mass":368.08960285,Charge:0,"Easy Name":"Gmelanone","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H16O7"},21768221:{PUBCHEM:{CID:"21768221","Compound Complexity":1590,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":6,"Rotatable Bond":0,"IUPAC Name Allowed":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone","IUPAC Name CAS-like Style":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone","IUPAC Name Markup":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone","IUPAC Name Preferred":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone","IUPAC Name Systematic":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-3,7,9,11,17,21,27-heptamethyl-4,10,14,20,34-pentakis(oxidanyl)-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone","IUPAC Name Traditional":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone",InChI:"1S/C40H47NO10/c1-20-11-9-8-10-12-23(4)40(51)41-33-37(48)28-18-26(7)36(47)32(31(28)38(49)39(33)50)35(46)25(6)17-24(5)34(45)22(3)14-16-27(42)15-13-21(2)30(44)19-29(20)43/h8-14,16-18,20,22,24,27,29,34,42-43,45,47-48H,15,19H2,1-7H3,(H,41,51)/b10-8-,11-9+,16-14+,21-13+,23-12-,25-17+/t20-,22-,24-,27-,29-,34-/m0/s1",InChIKey:"ZXLHPLMVMGZDLN-WBHHTQAESA-N","Log P":4.6,"Exact Mass":701.31999672,"Molecular Formula":"C40H47NO10","Molecular Weight":701.8,"Monoisotopic Mass":701.31999672,Charge:0,"Easy Name":"Naphthomycin D","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C40H47N1O10"},21768222:{PUBCHEM:{CID:"21768222","Compound Complexity":1540,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":5,"Rotatable Bond":0,"IUPAC Name Allowed":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name CAS-like Style":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Markup":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Preferred":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Systematic":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-3,7,9,11,17,21,27-heptamethyl-4,10,14,20-tetrakis(oxidanyl)-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Traditional":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone",InChI:"1S/C40H47NO9/c1-21-11-9-8-10-12-24(4)40(50)41-30-19-33(45)34-29(39(30)49)18-27(7)38(48)35(34)37(47)26(6)17-25(5)36(46)23(3)14-16-28(42)15-13-22(2)32(44)20-31(21)43/h8-14,16-19,21,23,25,28,31,36,42-43,46,48H,15,20H2,1-7H3,(H,41,50)/b10-8-,11-9+,16-14+,22-13+,24-12-,26-17+/t21-,23-,25-,28-,31-,36-/m0/s1",InChIKey:"IFFKOSSIDVBUOW-RFMJUQBQSA-N","Log P":5.2,"Exact Mass":685.3250821,"Molecular Formula":"C40H47NO9","Molecular Weight":685.8,"Monoisotopic Mass":685.3250821,Charge:0,"Easy Name":"Naphthomycin E","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C40H47N1O9"},21786582:{PUBCHEM:{CID:"21786582","Compound Complexity":222,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol","IUPAC Name CAS-like Style":"3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol","IUPAC Name Markup":"3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol","IUPAC Name Preferred":"3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol","IUPAC Name Systematic":"3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol","IUPAC Name Traditional":"3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol",InChI:"1S/C13H18N2O/c1-3-15(2)8-7-10-9-14-11-5-4-6-12(16)13(10)11/h4-6,9,14,16H,3,7-8H2,1-2H3",InChIKey:"ORWQBKPSGDRPPA-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":218.14191321,"Molecular Formula":"C13H18N2O","Molecular Weight":218.29,"Monoisotopic Mass":218.14191321,Charge:0,"Easy Name":"4-HO-MET","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C13H18N2O1"},21863527:{PUBCHEM:{CID:"21863527","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexafluorosilicon(2-);hydron","IUPAC Name CAS-like Style":"Hexafluorosilicon(2-);hydron","IUPAC Name Markup":"Hexafluorosilicon(2-);hydron","IUPAC Name Preferred":"Hexafluorosilicon(2-);hydron","IUPAC Name Systematic":"Hexakis(fluoranyl)silicon(2-);hydron","IUPAC Name Traditional":"Hexafluorosilicon(2-);hydron",InChI:"1S/F6Si/c1-7(2,3,4,5)6/q-2/p+2",InChIKey:"OHORFAFFMDIQRR-UHFFFAOYSA-P","Exact Mass":143.98299558,"Molecular Formula":"F6H2Si","Molecular Weight":144.091,"Monoisotopic Mass":143.98299558,Charge:0,"Easy Name":"Hexafluorosilicic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"F6H2Si1"},21881245:{PUBCHEM:{CID:"21881245","Compound Complexity":829,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"N-[4-[4-[N-(2-naphthyl)anilino]phenyl]phenyl]-N-phenyl-naphthalen-2-amine","IUPAC Name CAS-like Style":"N-[4-[4-[N-(2-naphthalenyl)anilino]phenyl]phenyl]-N-phenyl-2-naphthalenamine","IUPAC Name Markup":"N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine","IUPAC Name Preferred":"N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine","IUPAC Name Systematic":"N-[4-[4-[naphthalen-2-yl(phenyl)amino]phenyl]phenyl]-N-phenyl-naphthalen-2-amine","IUPAC Name Traditional":"2-naphthyl-[4-[4-[N-(2-naphthyl)anilino]phenyl]phenyl]-phenyl-amine",InChI:"1S/C44H32N2/c1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44/h1-32H",InChIKey:"BLFVVZKSHYCRDR-UHFFFAOYSA-N","Log P":12.5,"Exact Mass":588.25654904,"Molecular Formula":"C44H32N2","Molecular Weight":588.7,"Monoisotopic Mass":588.25654904,Charge:0,"Easy Name":"N, N'-Di (2-naphthyl)-N, N'-diphenyl-4, 4'-biphenyldiamine","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C44H32N2"},21918342:{PUBCHEM:{CID:"21918342","Compound Complexity":60.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(2+);oxalate","IUPAC Name CAS-like Style":"Europium(2+);oxalate","IUPAC Name Markup":"Europium(2+);oxalate","IUPAC Name Preferred":"Europium(2+);oxalate","IUPAC Name Systematic":"Ethanedioate;europium(2+)","IUPAC Name Traditional":"Europium(2+);oxalate",InChI:"1S/C2H2O4.Eu/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",InChIKey:"NAIHEVFNOXUIIX-UHFFFAOYSA-L","Exact Mass":240.9009,"Molecular Formula":"C2EuO4","Molecular Weight":239.98,"Monoisotopic Mass":240.9009,Charge:0,"Easy Name":"Europium (II) oxalate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C2Eu1O4"},21933512:{PUBCHEM:{CID:"21933512","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;azanide","IUPAC Name CAS-like Style":"Calcium;azanide","IUPAC Name Markup":"Calcium;azanide","IUPAC Name Preferred":"Calcium;azanide","IUPAC Name Systematic":"Calcium;azanide","IUPAC Name Traditional":"Calcium;azanide",InChI:"1S/Ca.2H2N/h;2*1H2/q+2;2*-1",InChIKey:"BWKDLDWUVLGWFC-UHFFFAOYSA-N","Exact Mass":72.000039,"Molecular Formula":"CaH4N2","Molecular Weight":72.12,"Monoisotopic Mass":72.000039,Charge:0,"Easy Name":"Calcium Amide","Easy Category":"Inorganic amides"},HSDB:{},ReducedFormula:"Ca1H4N2"},21981784:{PUBCHEM:{CID:"21981784","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Calcium;sulfanide","IUPAC Name CAS-like Style":"Calcium;sulfanide","IUPAC Name Markup":"Calcium;sulfanide","IUPAC Name Preferred":"Calcium;sulfanide","IUPAC Name Systematic":"Calcium;sulfanide","IUPAC Name Traditional":"Calcium;dibisulfide",InChI:"1S/Ca.2H2S/h;2*1H2/q+2;;/p-2",InChIKey:"YAECNLICDQSIKA-UHFFFAOYSA-L","Exact Mass":105.9223833,"Molecular Formula":"CaH2S2","Molecular Weight":106.2,"Monoisotopic Mass":105.9223833,Charge:0,"Easy Name":"Calcium di (hydrogensulphide)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ca1H2S2"},21998054:{PUBCHEM:{CID:"21998054","Compound Complexity":181,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/Ba.H2O6S2/c;1-7(2,3)8(4,5)6/h;(H,1,2,3)(H,4,5,6)/q+2;/p-2",InChIKey:"YRHZOPBZLTWJSQ-UHFFFAOYSA-L","Exact Mass":297.818877,"Molecular Formula":"BaO6S2","Molecular Weight":297.5,"Monoisotopic Mass":297.818877,Charge:0,"Easy Name":"Barium dithionate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1O6S2"},22023127:{PUBCHEM:{CID:"22023127","Compound Complexity":36.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Barium(2+);oxido(dioxo)tantalum","IUPAC Name CAS-like Style":"Barium(2+);oxido(dioxo)tantalum","IUPAC Name Markup":"Barium(2+);oxido(dioxo)tantalum","IUPAC Name Preferred":"Barium(2+);oxido(dioxo)tantalum","IUPAC Name Systematic":"Barium(2+);oxidanidyl-bis(oxidanylidene)tantalum","IUPAC Name Traditional":"Barium(2+);diketo(oxido)tantalum",InChI:"1S/Ba.6O.2Ta/q+2;;;;;2*-1;;",InChIKey:"MDRBWDWIZAHEBZ-UHFFFAOYSA-N","Exact Mass":595.77073,"Molecular Formula":"BaO6Ta2","Molecular Weight":595.22,"Monoisotopic Mass":595.77073,Charge:0,"Easy Name":"BARIUM TANTALATE","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ba1O6Ta2"},22023817:{PUBCHEM:{CID:"22023817","Compound Complexity":36.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tripotassium;trioxido(oxo)vanadium","IUPAC Name CAS-like Style":"Tripotassium;trioxido(oxo)vanadium","IUPAC Name Markup":"Tripotassium;trioxido(oxo)vanadium","IUPAC Name Preferred":"Tripotassium;trioxido(oxo)vanadium","IUPAC Name Systematic":"Tripotassium;tris(oxidanidyl)-oxidanylidene-vanadium","IUPAC Name Traditional":"Tripotassium;keto(trioxido)vanadium",InChI:"1S/3K.4O.V/q3*+1;;3*-1;",InChIKey:"FBRINGOENSVSPU-UHFFFAOYSA-N","Exact Mass":231.814735,"Molecular Formula":"K3O4V","Molecular Weight":232.234,"Monoisotopic Mass":231.814735,Charge:0,"Easy Name":"Potassium orthovanadate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K3O4V1"},22227441:{PUBCHEM:{CID:"22227441","Compound Complexity":0,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxygen(2-);technetium(7+)","IUPAC Name CAS-like Style":"Oxygen(2-);technetium(7+)","IUPAC Name Markup":"Oxygen(2-);technetium(7+)","IUPAC Name Preferred":"Oxygen(2-);technetium(7+)","IUPAC Name Systematic":"Oxygen(2-);technetium(7+)","IUPAC Name Traditional":"Oxygen(2-);technetium(7+)",InChI:"1S/7O.2Tc/q7*-2;2*+7",InChIKey:"IOWOAQVVLHHFTL-UHFFFAOYSA-N","Exact Mass":307.77882,"Molecular Formula":"O7Tc2","Molecular Weight":307.81,"Monoisotopic Mass":307.77882,Charge:0,"Easy Name":"Technetium (VII) oxide","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"O7Tc2"},22238091:{PUBCHEM:{CID:"22238091","Compound Complexity":187,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(2,5-dimethoxy-3,4-dimethyl-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxy-3,4-dimethyl-phenyl)ethanamine","IUPAC Name Traditional":"2-(2,5-dimethoxy-3,4-dimethyl-phenyl)ethylamine",InChI:"1S/C12H19NO2/c1-8-9(2)12(15-4)10(5-6-13)7-11(8)14-3/h7H,5-6,13H2,1-4H3",InChIKey:"NFOHGLKGLZIHJQ-UHFFFAOYSA-N","Log P":1.9,"Exact Mass":209.14157886,"Molecular Formula":"C12H19NO2","Molecular Weight":209.28,"Monoisotopic Mass":209.14157886,Charge:0,"Easy Name":"2C-G","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12H19N1O2"},22486475:{PUBCHEM:{CID:"22486475","Compound Complexity":24.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;hydrogen carbonate","IUPAC Name CAS-like Style":"Hydrogen carbonate;iron(2+)","IUPAC Name Markup":"Hydrogen carbonate;iron(2+)","IUPAC Name Preferred":"Hydrogen carbonate;iron(2+)","IUPAC Name Systematic":"Hydrogen carbonate;iron(2+)","IUPAC Name Traditional":"Ferrous;dibicarbonate",InChI:"1S/2CH2O3.Fe/c2*2-1(3)4;/h2*(H2,2,3,4);/q;;+2/p-2",InChIKey:"DKIDFDYBDZCAAU-UHFFFAOYSA-L","Exact Mass":177.920073,"Molecular Formula":"C2H2FeO6","Molecular Weight":177.88,"Monoisotopic Mass":177.920073,Charge:0,"Easy Name":"Iron (II) bicarbonate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"C2Fe1H2O6"},22597308:{PUBCHEM:{CID:"22597308","Compound Complexity":127,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;platinum(4+);hexacyanide","IUPAC Name CAS-like Style":"Dipotassium;platinum(4+);hexacyanide","IUPAC Name Markup":"Dipotassium;platinum(4+);hexacyanide","IUPAC Name Preferred":"Dipotassium;platinum(4+);hexacyanide","IUPAC Name Systematic":"Dipotassium;platinum(4+);hexacyanide","IUPAC Name Traditional":"Dipotassium;platinum(4+);hexacyanide",InChI:"1S/6CN.2K.Pt/c6*1-2;;;/q6*-1;2*+1;+4",InChIKey:"YHKPKKPXZORMRU-UHFFFAOYSA-N","Exact Mass":428.910651,"Molecular Formula":"C6K2N6Pt","Molecular Weight":429.39,"Monoisotopic Mass":428.910651,Charge:0,"Easy Name":"Potassium Hexacyanoplatinate (IV)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C6K2N6Pt1"},22646071:{PUBCHEM:{CID:"22646071","Compound Complexity":326,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(3-carboxyphenyl)benzoic acid","IUPAC Name CAS-like Style":"2-(3-carboxyphenyl)benzoic acid","IUPAC Name Markup":"2-(3-carboxyphenyl)benzoic acid","IUPAC Name Preferred":"2-(3-carboxyphenyl)benzoic acid","IUPAC Name Systematic":"2-(3-carboxyphenyl)benzoic acid","IUPAC Name Traditional":"2-(3-carboxyphenyl)benzoic acid",InChI:"1S/C14H10O4/c15-13(16)10-5-3-4-9(8-10)11-6-1-2-7-12(11)14(17)18/h1-8H,(H,15,16)(H,17,18)",InChIKey:"OFKNLQSJUCXVRY-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":242.0579088,"Molecular Formula":"C14H10O4","Molecular Weight":242.23,"Monoisotopic Mass":242.0579088,Charge:0,"Easy Name":"Isodiphenic Acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C14H10O4"},22717558:{PUBCHEM:{CID:"22717558","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gallium;sodium;oxygen(2-)","IUPAC Name CAS-like Style":"Gallium;sodium;oxygen(2-)","IUPAC Name Markup":"Gallium;sodium;oxygen(2-)","IUPAC Name Preferred":"Gallium;sodium;oxygen(2-)","IUPAC Name Systematic":"Gallium;sodium;oxygen(2-)","IUPAC Name Traditional":"Gallium;sodium;oxygen(2-)",InChI:"1S/Ga.Na.2O/q+3;+1;2*-2",InChIKey:"RCVYHGLQSIFHRY-UHFFFAOYSA-N","Exact Mass":123.90517,"Molecular Formula":"GaNaO2","Molecular Weight":124.71,"Monoisotopic Mass":123.90517,Charge:0,"Easy Name":"Galliumsodium oxide (NaGaO2) (8CI)","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ga1Na1O2"},22731702:{PUBCHEM:{CID:"22731702","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Hexafluorotitanium(2-);hydron","IUPAC Name CAS-like Style":"Hexafluorotitanium(2-);hydron","IUPAC Name Markup":"Hexafluorotitanium(2-);hydron","IUPAC Name Preferred":"Hexafluorotitanium(2-);hydron","IUPAC Name Systematic":"Hexakis(fluoranyl)titanium(2-);hydron","IUPAC Name Traditional":"Hexafluorotitanium(2-);hydron",InChI:"1S/6FH.Ti/h6*1H;/q;;;;;;+4/p-4",InChIKey:"PFSXARRIPPWGNC-UHFFFAOYSA-J","Exact Mass":163.95401,"Molecular Formula":"F6H2Ti","Molecular Weight":163.87,"Monoisotopic Mass":163.95401,Charge:0,"Easy Name":"Hexafluorotitanic acid","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F6H2Ti1"},22764821:{PUBCHEM:{CID:"22764821","Compound Complexity":15.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(1+);azide","IUPAC Name CAS-like Style":"Thallium(1+);azide","IUPAC Name Markup":"Thallium(1+);azide","IUPAC Name Preferred":"Thallium(1+);azide","IUPAC Name Systematic":"Thallium(1+);azide","IUPAC Name Traditional":"Thallium(1+);azide",InChI:"1S/N3.Tl/c1-3-2;/q-1;+1",InChIKey:"GMUSFHMEMWCQIE-UHFFFAOYSA-N","Exact Mass":246.98365,"Molecular Formula":"N3Tl","Molecular Weight":246.4,"Monoisotopic Mass":246.98365,Charge:0,"Easy Name":"Thallium azide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"N3Tl1"},22885267:{PUBCHEM:{CID:"22885267","Compound Complexity":139,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"(2S,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2S,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2S,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2S,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2S,3S,4S,5R)-5-[(1S)-1-oxidanylethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2S,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3/t2-,3-,4-,5+,6-/m0/s1",InChIKey:"AFNUZVCFKQUDBJ-XKTQNOIPSA-N","Log P":-1.5,"Exact Mass":164.06847348,"Molecular Formula":"C6H12O5","Molecular Weight":164.16,"Monoisotopic Mass":164.06847348,Charge:0,"Easy Name":"Β-L-Fucofuranose","Easy Category":"Monosaccharide"},HSDB:{},ReducedFormula:"C6H12O5"},22964811:{PUBCHEM:{CID:"22964811","Compound Complexity":69.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"3,3-diethylpent-1-ene","IUPAC Name CAS-like Style":"3,3-diethyl-1-pentene","IUPAC Name Markup":"3,3-diethylpent-1-ene","IUPAC Name Preferred":"3,3-diethylpent-1-ene","IUPAC Name Systematic":"3,3-diethylpent-1-ene","IUPAC Name Traditional":"3,3-diethylpent-1-ene",InChI:"1S/C9H18/c1-5-9(6-2,7-3)8-4/h5H,1,6-8H2,2-4H3",InChIKey:"UWLPVIXZAWCQIN-UHFFFAOYSA-N","Log P":4.4,"Exact Mass":126.14085058,"Molecular Formula":"C9H18","Molecular Weight":126.24,"Monoisotopic Mass":126.14085058,Charge:0,"Easy Name":"3, 3-diethylpent-1-ene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C9H18"},22991897:{PUBCHEM:{CID:"22991897","Compound Complexity":7.5,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/Fe.3HO2P/c;3*1-3-2/h;3*(H,1,2)/q+3;;;/p-3",InChIKey:"AKUPWWXXOPZGCK-UHFFFAOYSA-K","Exact Mass":244.825709,"Molecular Formula":"FeO6P3","Molecular Weight":244.76,"Monoisotopic Mass":244.825709,Charge:0,"Easy Name":"Ferric hypophosphite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1O6P3"},23009805:{PUBCHEM:{CID:"23009805","Compound Complexity":182,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"3,3-dimethyl-5-oxo-heptanoic acid","IUPAC Name CAS-like Style":"3,3-dimethyl-5-oxoheptanoic acid","IUPAC Name Markup":"3,3-dimethyl-5-oxoheptanoic acid","IUPAC Name Preferred":"3,3-dimethyl-5-oxoheptanoic acid","IUPAC Name Systematic":"3,3-dimethyl-5-oxidanylidene-heptanoic acid","IUPAC Name Traditional":"5-keto-3,3-dimethyl-enanthic acid",InChI:"1S/C9H16O3/c1-4-7(10)5-9(2,3)6-8(11)12/h4-6H2,1-3H3,(H,11,12)",InChIKey:"LSCYDIBVUKXILG-UHFFFAOYSA-N","Log P":1,"Exact Mass":172.10994437,"Molecular Formula":"C9H16O3","Molecular Weight":172.22,"Monoisotopic Mass":172.10994437,Charge:0,"Easy Name":"3, 3-dimethyl-5-oxoheptanoic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C9H16O3"},23146648:{PUBCHEM:{CID:"23146648","Compound Complexity":76.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Tribromo(tribromosilyloxy)silane","IUPAC Name CAS-like Style":"Tribromo(tribromosilyloxy)silane","IUPAC Name Markup":"Tribromo(tribromosilyloxy)silane","IUPAC Name Preferred":"Tribromo(tribromosilyloxy)silane","IUPAC Name Systematic":"Tris(bromanyl)-tris(bromanyl)silyloxy-silane","IUPAC Name Traditional":"Tribromo(tribromosilyloxy)silane",InChI:"1S/Br6OSi2/c1-8(2,3)7-9(4,5)6",InChIKey:"PWVUSFVRYWVBDM-UHFFFAOYSA-N","Exact Mass":551.45265,"Molecular Formula":"Br6OSi2","Molecular Weight":551.6,"Monoisotopic Mass":545.45879,Charge:0,"Easy Name":"Hexabromodisiloxane","Easy Category":"Silanes"},HSDB:{},ReducedFormula:"Br6O1Si2"},23206079:{PUBCHEM:{CID:"23206079","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Magnesium;fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Magnesium;fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Magnesium;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Magnesium;fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Magnesium;fluoro-keto-dioxido-phosphorane",InChI:"1S/FH2O3P.Mg/c1-5(2,3)4;/h(H2,2,3,4);/q;+2/p-2",InChIKey:"QJLVYSQIYAHNJO-UHFFFAOYSA-L","Exact Mass":121.9419507,"Molecular Formula":"FMgO3P","Molecular Weight":122.28,"Monoisotopic Mass":121.9419507,Charge:0,"Easy Name":"Magnesium monofluorophosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1Mg1O3P1"},23233009:{PUBCHEM:{CID:"23233009","Compound Complexity":1160,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":5,"Rotatable Bond":1,"IUPAC Name Allowed":"(2Z)-8-(2,4-dihydroxy-6-methyl-phenyl)-7-hydroxy-2-(2-hydroxy-6-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,9-dimethyl-10H-phenoxazin-3-one","IUPAC Name CAS-like Style":"(2Z)-8-(2,4-dihydroxy-6-methylphenyl)-7-hydroxy-2-(2-hydroxy-6-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1,9-dimethyl-10H-phenoxazin-3-one","IUPAC Name Markup":"(2Z)-8-(2,4-dihydroxy-6-methylphenyl)-7-hydroxy-2-(2-hydroxy-6-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,9-dimethyl-10H-phenoxazin-3-one","IUPAC Name Preferred":"(2Z)-8-(2,4-dihydroxy-6-methylphenyl)-7-hydroxy-2-(2-hydroxy-6-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,9-dimethyl-10H-phenoxazin-3-one","IUPAC Name Systematic":"(2Z)-1,9-dimethyl-8-[2-methyl-4,6-bis(oxidanyl)phenyl]-2-(2-methyl-6-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-oxidanyl-10H-phenoxazin-3-one","IUPAC Name Traditional":"(2Z)-8-(2,4-dihydroxy-6-methyl-phenyl)-7-hydroxy-2-(2-hydroxy-4-keto-6-methyl-cyclohexa-2,5-dien-1-ylidene)-1,9-dimethyl-10H-phenoxazin-3-one",InChI:"1S/C28H23NO7/c1-11-5-15(30)7-17(32)23(11)25-13(3)27-21(9-19(25)34)36-22-10-20(35)26(14(4)28(22)29-27)24-12(2)6-16(31)8-18(24)33/h5-10,29-30,32-34H,1-4H3/b26-24-",InChIKey:"KRZSKAVRQZERKI-LCUIJRPUSA-N","Log P":2.7,"Exact Mass":485.14745208,"Molecular Formula":"C28H23NO7","Molecular Weight":485.5,"Monoisotopic Mass":485.14745208,Charge:0,"Easy Name":"Β-hydroxy orcein","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C28H23N1O7"},23235952:{PUBCHEM:{CID:"23235952","Compound Complexity":41.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/FN3/c1-3-4-2",InChIKey:"AJXWEJAGUZJGRI-UHFFFAOYSA-N","Log P":1.7,"Exact Mass":61.00762518,"Molecular Formula":"FN3","Molecular Weight":61.019,"Monoisotopic Mass":61.00762518,Charge:0,"Easy Name":"Fluorine azide","Easy Category":"Inorganic matter"},HSDB:{},ReducedFormula:"F1N3"},23252258:{PUBCHEM:{CID:"23252258","Compound Complexity":495,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]prop-2-enal","IUPAC Name CAS-like Style":"(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]-2-propenal","IUPAC Name Markup":"(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal","IUPAC Name Preferred":"(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal","IUPAC Name Systematic":"(E)-3-[(2S,3R)-3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal","IUPAC Name Traditional":"(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-methylol-coumaran-5-yl]acrolein",InChI:"1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m0/s1",InChIKey:"GWCSSLSMGCFIFR-LNFBDUAVSA-N","Log P":2,"Exact Mass":356.12598836,"Molecular Formula":"C20H20O6","Molecular Weight":356.4,"Monoisotopic Mass":356.12598836,Charge:0,"Easy Name":"Balanophonin","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H20O6"},23422578:{PUBCHEM:{CID:"23422578","Compound Complexity":81.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(dioxo)xenon","IUPAC Name CAS-like Style":"Dihydroxy(dioxo)xenon","IUPAC Name Markup":"Dihydroxy(dioxo)xenon","IUPAC Name Preferred":"Dihydroxy(dioxo)xenon","IUPAC Name Systematic":"Bis(oxidanyl)-bis(oxidanylidene)xenon","IUPAC Name Traditional":"Dihydroxy(diketo)xenon",InChI:"1S/H2O4Xe/c1-5(2,3)4/h1-2H",InChIKey:"HRLLZBGOCZURJC-UHFFFAOYSA-N","Exact Mass":197.89946363,"Molecular Formula":"H2O4Xe","Molecular Weight":197.31,"Monoisotopic Mass":197.89946363,Charge:0,"Easy Name":"Xenic acid","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"H2O4Xe1"},23455055:{PUBCHEM:{CID:"23455055","Compound Complexity":36.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thallium(1+);bromate","IUPAC Name CAS-like Style":"Thallium(1+);bromate","IUPAC Name Markup":"Thallium(1+);bromate","IUPAC Name Preferred":"Thallium(1+);bromate","IUPAC Name Systematic":"Thallium(1+);bromate","IUPAC Name Traditional":"Thallium(1+);bromate",InChI:"1S/BrHO3.Tl/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"WUXGESWTJFAIJN-UHFFFAOYSA-M","Exact Mass":331.87751,"Molecular Formula":"BrO3Tl","Molecular Weight":332.29,"Monoisotopic Mass":331.87751,Charge:0,"Easy Name":"Thallium (I) Bromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1O3Tl1"},23455058:{PUBCHEM:{CID:"23455058","Compound Complexity":82.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dioxido-oxo-thioxo-lambda6-sulfane;thallium(1+)","IUPAC Name CAS-like Style":"Dioxido-oxo-sulfanylidene-lambda6-sulfane;thallium(1+)","IUPAC Name Markup":"Dioxido-oxo-sulfanylidene-λ6-sulfane;thallium(1+)","IUPAC Name Preferred":"Dioxido-oxo-sulfanylidene-lambda6-sulfane;thallium(1+)","IUPAC Name Systematic":"Bis(oxidanidyl)-oxidanylidene-sulfanylidene-lambda6-sulfane;thallium(1+)","IUPAC Name Traditional":"Keto-dioxido-thioxo-lambda6-sulfane;thallium(1+)",InChI:"1S/H2O3S2.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2",InChIKey:"XVSOGDUAKUCBDI-UHFFFAOYSA-L","Exact Mass":521.87774,"Molecular Formula":"O3S2Tl2","Molecular Weight":520.9,"Monoisotopic Mass":521.87774,Charge:0,"Easy Name":"Thallium (I) Thiosulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O3S2Tl2"},23461862:{PUBCHEM:{CID:"23461862","Compound Complexity":277,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"4-chloro-2-(5-chloro-2-hydroxy-3-methyl-phenyl)sulfanyl-6-methyl-phenol","IUPAC Name CAS-like Style":"4-chloro-2-[(5-chloro-2-hydroxy-3-methylphenyl)thio]-6-methylphenol","IUPAC Name Markup":"4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol","IUPAC Name Preferred":"4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol","IUPAC Name Systematic":"4-chloranyl-2-(5-chloranyl-3-methyl-2-oxidanyl-phenyl)sulfanyl-6-methyl-phenol","IUPAC Name Traditional":"4-chloro-2-[(5-chloro-2-hydroxy-3-methyl-phenyl)thio]-6-methyl-phenol",InChI:"1S/C14H12Cl2O2S/c1-7-3-9(15)5-11(13(7)17)19-12-6-10(16)4-8(2)14(12)18/h3-6,17-18H,1-2H3",InChIKey:"DFLQADJJFCUSAX-UHFFFAOYSA-N","Log P":5.3,"Exact Mass":313.9935062,"Molecular Formula":"C14H12Cl2O2S","Molecular Weight":315.2,"Monoisotopic Mass":313.9935062,Charge:0,"Easy Name":"Chlorbisan","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C14Cl2H12O2S1"},23500186:{PUBCHEM:{CID:"23500186","Compound Complexity":82.2,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Ethyl(tripropyl)ammonium;iodide","IUPAC Name CAS-like Style":"Ethyl(tripropyl)ammonium;iodide","IUPAC Name Markup":"Ethyl(tripropyl)azanium;iodide","IUPAC Name Preferred":"Ethyl(tripropyl)azanium;iodide","IUPAC Name Systematic":"Ethyl(tripropyl)azanium;iodide","IUPAC Name Traditional":"Ethyl(tripropyl)ammonium;iodide",InChI:"1S/C11H26N.HI/c1-5-9-12(8-4,10-6-2)11-7-3;/h5-11H2,1-4H3;1H/q+1;/p-1",InChIKey:"ZLHWTGZMAWUUMD-UHFFFAOYSA-M","Exact Mass":299.111,"Molecular Formula":"C11H26IN","Molecular Weight":299.24,"Monoisotopic Mass":299.111,Charge:0,"Easy Name":"Ethyltripropylammonium Iodide","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C11H26I1N1"},23629652:{PUBCHEM:{CID:"23629652","Compound Complexity":2.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Zinc;azanide","IUPAC Name CAS-like Style":"Zinc;azanide","IUPAC Name Markup":"Zinc;azanide","IUPAC Name Preferred":"Zinc;azanide","IUPAC Name Systematic":"Zinc;azanide","IUPAC Name Traditional":"Zinc;azanide",InChI:"1S/2H2N.Zn/h2*1H2;/q2*-1;+2",InChIKey:"PQJFBJISJZGASZ-UHFFFAOYSA-N","Exact Mass":95.96659,"Molecular Formula":"H4N2Zn","Molecular Weight":97.4,"Monoisotopic Mass":95.96659,Charge:0,"Easy Name":"Zinc diazanide","Easy Category":"Inorganic amides"},HSDB:{},ReducedFormula:"H4N2Zn1"},23662331:{PUBCHEM:{CID:"23662331","Compound Complexity":33.9,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;hydrogen sulfite","IUPAC Name CAS-like Style":"Cesium;hydrogen sulfite","IUPAC Name Markup":"Cesium;hydrogen sulfite","IUPAC Name Preferred":"Cesium;hydrogen sulfite","IUPAC Name Systematic":"Cesium;hydrogen sulfite","IUPAC Name Traditional":"Cesium;bisulfite",InChI:"1S/Cs.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",InChIKey:"YQRQRUBEHCXCPR-UHFFFAOYSA-M","Exact Mass":213.87009203,"Molecular Formula":"CsHO3S","Molecular Weight":213.98,"Monoisotopic Mass":213.87009203,Charge:0,"Easy Name":"Cesium hydrogen sulfite","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"Cs1H1O3S1"},23662352:{PUBCHEM:{CID:"23662352","Compound Complexity":233,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"Sodium;2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate","IUPAC Name CAS-like Style":"Sodium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate","IUPAC Name Markup":"Sodium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate","IUPAC Name Preferred":"Sodium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate","IUPAC Name Systematic":"Sodium;2-(2-hydroxy-2-oxoethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate","IUPAC Name Traditional":"Sodium;2-(carboxymethyl)-2,4-dihydroxy-4-keto-butyrate",InChI:"1S/C6H8O7.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1",InChIKey:"HWPKGOGLCKPRLZ-UHFFFAOYSA-M","Exact Mass":214.00894684,"Molecular Formula":"C6H7NaO7","Molecular Weight":214.1,"Monoisotopic Mass":214.00894684,Charge:0,"Easy Name":"Monosodium citrate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6H7Na1O7"},23662386:{PUBCHEM:{CID:"23662386","Compound Complexity":87.7,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Potassium;2-hydroxy-2-oxo-acetate","IUPAC Name CAS-like Style":"Potassium;2-hydroxy-2-oxoacetate","IUPAC Name Markup":"Potassium;2-hydroxy-2-oxoacetate","IUPAC Name Preferred":"Potassium;2-hydroxy-2-oxoacetate","IUPAC Name Systematic":"Potassium;2-oxidanyl-2-oxidanylidene-ethanoate","IUPAC Name Traditional":"Potassium;binoxalate",InChI:"1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1",InChIKey:"JMTCDHVHZSGGJA-UHFFFAOYSA-M","Exact Mass":127.95119,"Molecular Formula":"C2HKO4","Molecular Weight":128.13,"Monoisotopic Mass":127.95119,Charge:0,"Easy Name":"Potassium hydrogen oxalate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"Monoclinic, colorless crystals"},Density:{Value:"2.0"},"Melting Point":{Value:"Decomposes"},Taste:{Value:"BITTER, SHARP TASTE"},Uses:{Value:"AGENT TO REMOVE INK STAINS AND CLEAN WOOD; SCOURING AGENT FOR METALS; BLEACHING AGENT FOR STEARIC ACID; MORDANT IN TEXTILE DYEING"}},ReducedFormula:"C2H1K1O4"},23663385:{PUBCHEM:{CID:"23663385","Compound Complexity":34.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;cyanate","IUPAC Name CAS-like Style":"Lithium;cyanate","IUPAC Name Markup":"Lithium;cyanate","IUPAC Name Preferred":"Lithium;cyanate","IUPAC Name Systematic":"Lithium;cyanate","IUPAC Name Traditional":"Lithium;cyanate",InChI:"1S/CHNO.Li/c2-1-3;/h3H;/q;+1/p-1",InChIKey:"POMZBEGASDKMRR-UHFFFAOYSA-M","Exact Mass":49.01399206,"Molecular Formula":"CLiNO","Molecular Weight":49,"Monoisotopic Mass":49.01399206,Charge:0,"Easy Name":"Lithium сyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1Li1N1O1"},23663620:{PUBCHEM:{CID:"23663620","Compound Complexity":33.9,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;hydrogen sulfite","IUPAC Name CAS-like Style":"Potassium;hydrogen sulfite","IUPAC Name Markup":"Potassium;hydrogen sulfite","IUPAC Name Preferred":"Potassium;hydrogen sulfite","IUPAC Name Systematic":"Potassium;hydrogen sulfite","IUPAC Name Traditional":"Potassium;bisulfite",InChI:"1S/K.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",InChIKey:"DJEHXEMURTVAOE-UHFFFAOYSA-M","Exact Mass":119.92834655,"Molecular Formula":"HKO3S","Molecular Weight":120.17,"Monoisotopic Mass":119.92834655,Charge:0,"Easy Name":"Potassium bisulfite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, crystalline powder"},"Melting Point":{Value:"Decomp @ 190 °C"},Odor:{Value:"Sulfur dioxide odor"},Solubility:{Value:"Sol in water; insol in alcohol"},Uses:{Value:"Chem preservative in food, except meats and other sources of vitamin B1. Reduction of various organic compounds; purification of aldehydes and ketones; source of sulfurous acid."}},ReducedFormula:"H1K1O3S1"},23663870:{PUBCHEM:{CID:"23663870","Compound Complexity":64.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Sodium;4-hydroxybutanoate","IUPAC Name CAS-like Style":"Sodium;4-hydroxybutanoate","IUPAC Name Markup":"Sodium;4-hydroxybutanoate","IUPAC Name Preferred":"Sodium;4-hydroxybutanoate","IUPAC Name Systematic":"Sodium;4-oxidanylbutanoate","IUPAC Name Traditional":"Sodium;4-hydroxybutyrate",InChI:"1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1",InChIKey:"XYGBKMMCQDZQOZ-UHFFFAOYSA-M","Exact Mass":126.02928837,"Molecular Formula":"C4H7NaO3","Molecular Weight":126.09,"Monoisotopic Mass":126.02928837,Charge:0,"Easy Name":"Sodium oxybate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C4H7Na1O3"},23663999:{PUBCHEM:{CID:"23663999","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;formate","IUPAC Name CAS-like Style":"Cesium;formate","IUPAC Name Markup":"Cesium;formate","IUPAC Name Preferred":"Cesium;formate","IUPAC Name Systematic":"Cesium;methanoate","IUPAC Name Traditional":"Cesium;formate",InChI:"1S/CH2O2.Cs/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",InChIKey:"ATZQZZAXOPPAAQ-UHFFFAOYSA-M","Exact Mass":177.90310623,"Molecular Formula":"CHCsO2","Molecular Weight":177.923,"Monoisotopic Mass":177.90310623,Charge:0,"Easy Name":"Caesium formate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C1Cs1H1O2"},23665008:{PUBCHEM:{CID:"23665008","Compound Complexity":14.4,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;dihydrogen arsorite","IUPAC Name CAS-like Style":"Sodium;dihydrogen arsorite","IUPAC Name Markup":"Sodium;dihydrogen arsorite","IUPAC Name Preferred":"Sodium;dihydrogen arsorite","IUPAC Name Systematic":"Sodium;dihydrogen arsorite","IUPAC Name Traditional":"Sodium;dihydrogen arsorite",InChI:"1S/AsH2O3.Na/c2-1(3)4;/h2-3H;/q-1;+1",InChIKey:"OMPOAAVAIXSVJZ-UHFFFAOYSA-N","Exact Mass":147.911758,"Molecular Formula":"AsH2NaO3","Molecular Weight":147.926,"Monoisotopic Mass":147.911758,Charge:0,"Easy Name":"Sodium dihydrogen arsenite","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"As1H2Na1O3"},23665558:{PUBCHEM:{CID:"23665558","Compound Complexity":308,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;tetraphenylboranuide","IUPAC Name CAS-like Style":"Potassium;tetraphenylboranuide","IUPAC Name Markup":"Potassium;tetraphenylboranuide","IUPAC Name Preferred":"Potassium;tetraphenylboranuide","IUPAC Name Systematic":"Potassium;tetraphenylboranuide","IUPAC Name Traditional":"Potassium;tetraphenylboranuide",InChI:"1S/C24H20B.K/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1",InChIKey:"MAMCUZQNCMYPCY-UHFFFAOYSA-N","Exact Mass":358.1295123,"Molecular Formula":"C24H20BK","Molecular Weight":358.3,"Monoisotopic Mass":358.1295123,Charge:0,"Easy Name":"Potassium tetraphenylborate","Easy Category":"Organoboron compounds"},HSDB:{},ReducedFormula:"B1C24H20K1"},23665705:{PUBCHEM:{CID:"23665705","Compound Complexity":273,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"Potassium;2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name CAS-like Style":"Potassium;2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name Markup":"Potassium;2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name Preferred":"Potassium;2,4-dioxo-1H-pyrimidine-6-carboxylate","IUPAC Name Systematic":"Potassium;2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate","IUPAC Name Traditional":"Potassium;orotate",InChI:"1S/C5H4N2O4.K/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1",InChIKey:"DHBUISJCVRMTAZ-UHFFFAOYSA-M","Exact Mass":193.97298807,"Molecular Formula":"C5H3KN2O4","Molecular Weight":194.19,"Monoisotopic Mass":193.97298807,Charge:0,"Easy Name":"Potassium orotate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C5H3K1N2O4"},23665710:{PUBCHEM:{CID:"23665710","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;iodate","IUPAC Name CAS-like Style":"Potassium;iodate","IUPAC Name Markup":"Potassium;iodate","IUPAC Name Preferred":"Potassium;iodate","IUPAC Name Systematic":"Potassium;iodate","IUPAC Name Traditional":"Potassium;iodate",InChI:"1S/HIO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"JLKDVMWYMMLWTI-UHFFFAOYSA-M","Exact Mass":213.85292,"Molecular Formula":"IKO3","Molecular Weight":214.001,"Monoisotopic Mass":213.85292,Charge:0,"Easy Name":"Potassium iodate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystals or crystalline powder"},Density:{Value:"3.98"},"Melting Point":{Value:"560 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"4.74 g/100 cc water @ 0 °C; 32.3 g/100 cc @ 100 °C; insol in alc, nitric acid; sol in potassium iodide"},Uses:{Value:"MEDICATION (VET)"}},ReducedFormula:"I1K1O3"},23665760:{PUBCHEM:{CID:"23665760","Compound Complexity":4.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;hypochlorite","IUPAC Name CAS-like Style":"Sodium;hypochlorite","IUPAC Name Markup":"Sodium;hypochlorite","IUPAC Name Preferred":"Sodium;hypochlorite","IUPAC Name Systematic":"Sodium;hypochlorite","IUPAC Name Traditional":"Sodium;hypochlorite",InChI:"1S/ClO.Na/c1-2;/q-1;+1",InChIKey:"SUKJFIGYRHOWBL-UHFFFAOYSA-N","Exact Mass":73.9535366,"Molecular Formula":"ClNaO","Molecular Weight":74.44,"Monoisotopic Mass":73.9535366,Charge:0,"Easy Name":"Sodium hypochlorite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Greenish yellow liquid"},Density:{Value:"1.21 (14% aqueous solution, 20 °C)"},Odor:{Value:"Disagreeable, sweetish odor"},Solubility:{Value:"29.3 g/100 g (0 °C) in water"},Uses:{Value:"For Sodium hypochlorite (USEPA/OPP Pesticide Code: 014703) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Cl1Na1O1"},23665763:{PUBCHEM:{CID:"23665763","Compound Complexity":33.9,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;hydrogen sulfite","IUPAC Name CAS-like Style":"Sodium;hydrogen sulfite","IUPAC Name Markup":"Sodium;hydrogen sulfite","IUPAC Name Preferred":"Sodium;hydrogen sulfite","IUPAC Name Systematic":"Sodium;hydrogen sulfite","IUPAC Name Traditional":"Sodium;bisulfite",InChI:"1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",InChIKey:"DWAQJAXMDSEUJJ-UHFFFAOYSA-M","Exact Mass":103.95440935,"Molecular Formula":"HNaO3S","Molecular Weight":104.06,"Monoisotopic Mass":103.95440935,Charge:0,"Easy Name":"Sodium bisulfite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystal or crystalline powder"},Density:{Value:"1.48"},"Melting Point":{Value:"Decomposes"},Odor:{Value:"Slight sulfurous odor"},pH:{Value:"Aq soln is acid"},"Refractive Index":{Value:"INDEX OF REFRACTION: 1.526"},Solubility:{Value:"Sol in 3.5 parts cold water, in 2 parts boiling water, in about 70 parts alcohol."},Taste:{Value:"Disagreeable taste"},Uses:{Value:"For Sodium bisulfite (USEPA/OPP Pesticide Code: 078201) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"H1Na1O3S1"},23666138:{PUBCHEM:{CID:"23666138","Compound Complexity":619,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Sodium;4-[(2E)-2-(4-oxo-1-naphthylidene)hydrazino]benzenesulfonate","IUPAC Name CAS-like Style":"Sodium;4-[(2E)-2-(4-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate","IUPAC Name Markup":"Sodium;4-[(2E)-2-(4-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate","IUPAC Name Preferred":"Sodium;4-[(2E)-2-(4-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate","IUPAC Name Systematic":"Sodium;4-[(2E)-2-(4-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate","IUPAC Name Traditional":"Sodium;4-[(N'E)-N'-(4-keto-1-naphthylidene)hydrazino]besylate",InChI:"1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,17H,(H,20,21,22);/q;+1/p-1/b18-15+;",InChIKey:"HMWJVUNISIEXFR-FLNCGGNMSA-M","Exact Mass":350.0337223,"Molecular Formula":"C16H11N2NaO4S","Molecular Weight":350.3,"Monoisotopic Mass":350.0337223,Charge:0,"Easy Name":"Acid Orange 20","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C16H11N2Na1O4S1"},23666342:{PUBCHEM:{CID:"23666342","Compound Complexity":157,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"Potassium;2,3,4-trihydroxy-4-oxo-butanoate","IUPAC Name CAS-like Style":"Potassium;2,3,4-trihydroxy-4-oxobutanoate","IUPAC Name Markup":"Potassium;2,3,4-trihydroxy-4-oxobutanoate","IUPAC Name Preferred":"Potassium;2,3,4-trihydroxy-4-oxobutanoate","IUPAC Name Systematic":"Potassium;2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate","IUPAC Name Traditional":"Potassium;2,3,4-trihydroxy-4-keto-butyrate",InChI:"1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1",InChIKey:"KYKNRZGSIGMXFH-UHFFFAOYSA-M","Exact Mass":187.97231937,"Molecular Formula":"C4H5KO6","Molecular Weight":188.18,"Monoisotopic Mass":187.97231937,Charge:0,"Easy Name":"L (+)-Potassium hydrogen tartrate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"COLORLESS CRYSTALS OR WHITE, CRYSTALLINE POWDER"},Density:{Value:"1.984 @ 18 °C"},Solubility:{Value:"1 G DISSOLVES IN 162 ML WATER, IN 16 ML BOILING WATER, IN 8820 ML ALCOHOL; READILY SOL IN DILUTED MINERAL ACIDS; SOL IN SOLN OF ALKALIES OR BORAX; IN WATER APPROX 0.4% @ 10 °C TO 6% @ 100 °C"},Taste:{Value:"PLEASANT ACIDULOUS TASTE"},Uses:{Value:"COLORING METALS, GALVANIC TINNING OF METALS; REDUCER OF CHROMIUM TRIOXIDE IN MORDANTS FOR WOOL"}},ReducedFormula:"C4H5K1O6"},23666456:{PUBCHEM:{CID:"23666456","Compound Complexity":63.2,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Sodium;2-hydroxypropanoate","IUPAC Name CAS-like Style":"Sodium;2-hydroxypropanoate","IUPAC Name Markup":"Sodium;2-hydroxypropanoate","IUPAC Name Preferred":"Sodium;2-hydroxypropanoate","IUPAC Name Systematic":"Sodium;2-oxidanylpropanoate","IUPAC Name Traditional":"Sodium;lactate",InChI:"1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",InChIKey:"NGSFWBMYFKHRBD-UHFFFAOYSA-M","Exact Mass":112.0136383,"Molecular Formula":"C3H5NaO3","Molecular Weight":112.06,"Monoisotopic Mass":112.0136383,Charge:0,"Easy Name":"Sodium lactate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C3H5Na1O3"},23667548:{PUBCHEM:{CID:"23667548","Compound Complexity":237,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"Sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate","IUPAC Name CAS-like Style":"Sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate","IUPAC Name Markup":"Sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate","IUPAC Name Preferred":"Sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate","IUPAC Name Systematic":"Sodium;(2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-5-oxidanylidene-2H-furan-3-olate","IUPAC Name Traditional":"Sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-keto-2H-furan-3-olate",InChI:"1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1",InChIKey:"PPASLZSBLFJQEF-RXSVEWSESA-M","Exact Mass":198.01403223,"Molecular Formula":"C6H7NaO6","Molecular Weight":198.11,"Monoisotopic Mass":198.01403223,Charge:0,"Easy Name":"Sodium L-ascorbate","Easy Category":"Antioxidant"},HSDB:{"Color And Form":{Value:"Minute crystals"},"Melting Point":{Value:"218 °C decomposes"},Odor:{Value:"Odorless"},pH:{Value:"pH of aqueous solution 5.6-7.0 or even higher; 10% solution, made from commercial grade, may have pH of 7.4-7.7"},Solubility:{Value:"Solubility in water: 62 g/100 mL at 25 °C; 78 g/100 mL at 75 °C"},Uses:{Value:"As antimicrobial and antioxidant in foodstuffs"}},ReducedFormula:"C6H7Na1O6"},23667635:{PUBCHEM:{CID:"23667635","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;periodate","IUPAC Name CAS-like Style":"Sodium;periodate","IUPAC Name Markup":"Sodium;periodate","IUPAC Name Preferred":"Sodium;periodate","IUPAC Name Systematic":"Sodium;periodate","IUPAC Name Traditional":"Sodium;periodate",InChI:"1S/HIO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"JQWHASGSAFIOCM-UHFFFAOYSA-M","Exact Mass":213.8739,"Molecular Formula":"INaO4","Molecular Weight":213.892,"Monoisotopic Mass":213.8739,Charge:0,"Easy Name":"Sodium periodate","Easy Category":"Inorganic salt"},HSDB:{"Boiling Point":{Value:"Decomposes approx 300 °C"},"Color And Form":{Value:"White, tetragonal crystals"},Density:{Value:"3.865 at 16 °C"},Solubility:{Value:"Soluble in cold water, sulfuric, nitric, acetic acids"},Uses:{Value:"Source of periodic acid, analytical reagent, oxidizing agent."}},ReducedFormula:"I1Na1O4"},23667989:{PUBCHEM:{CID:"23667989","Compound Complexity":4.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);hypochlorite","IUPAC Name CAS-like Style":"Rubidium(1+);hypochlorite","IUPAC Name Markup":"Rubidium(1+);hypochlorite","IUPAC Name Preferred":"Rubidium(1+);hypochlorite","IUPAC Name Systematic":"Rubidium(1+);hypochlorite","IUPAC Name Traditional":"Rubidium(1+);hypochlorite",InChI:"1S/ClO.Rb/c1-2;/q-1;+1",InChIKey:"NHPHLTVZDMJXCB-UHFFFAOYSA-N","Exact Mass":135.8755571,"Molecular Formula":"ClORb","Molecular Weight":136.92,"Monoisotopic Mass":135.8755571,Charge:0,"Easy Name":"Rubidium hypochlorite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1O1Rb1"},23668193:{PUBCHEM:{CID:"23668193","Compound Complexity":13.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;nitrite","IUPAC Name CAS-like Style":"Sodium;nitrite","IUPAC Name Markup":"Sodium;nitrite","IUPAC Name Preferred":"Sodium;nitrite","IUPAC Name Systematic":"Sodium;nitrite","IUPAC Name Traditional":"Sodium;nitrite",InChI:"1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",InChIKey:"LPXPTNMVRIOKMN-UHFFFAOYSA-M","Exact Mass":68.98267253,"Molecular Formula":"NNaO2","Molecular Weight":68.995,"Monoisotopic Mass":68.98267253,Charge:0,"Easy Name":"Sodium nitrite","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, orthorhombic crystals"},Density:{Value:"2.17"},"Melting Point":{Value:"271 °C"},pH:{Value:"Aq soln is alkaline, pH about 9"},"Refractive Index":{Value:"Refractive index at 598 nm: alpha=1.35, beta=1.65, gamma=1.65"},Solubility:{Value:"Sol in water; moderately sol in methanol; sparingly soluble in diethyl ether"},Taste:{Value:"Slightly salty taste"},Uses:{Value:'The active ingredient is no longer contained in any registered products ... "cancelled."'}},ReducedFormula:"N1Na1O2"},23668195:{PUBCHEM:{CID:"23668195","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;bromate","IUPAC Name CAS-like Style":"Sodium;bromate","IUPAC Name Markup":"Sodium;bromate","IUPAC Name Preferred":"Sodium;bromate","IUPAC Name Systematic":"Sodium;bromate","IUPAC Name Traditional":"Sodium;bromate",InChI:"1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"XUXNAKZDHHEHPC-UHFFFAOYSA-M","Exact Mass":149.89285,"Molecular Formula":"BrNaO3","Molecular Weight":150.89,"Monoisotopic Mass":149.89285,Charge:0,"Easy Name":"Sodium bromate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White crystals or white powder"},Density:{Value:"3.200 g/cu cm"},"Melting Point":{Value:"381 °C decomposes with oxygen evolution"},Odor:{Value:"Odorless"},pH:{Value:"Aqueous solution is neutral"},"Refractive Index":{Value:"Index of refraction: 1.594"},Solubility:{Value:"In water, 39.4 g/100 g at 25 °C"},Uses:{Value:"For sodium bromate (USEPA/OPP Pesticide Code: 013908) there are 0 labels match. /SRP: Not registered for current use in the USA., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"Br1Na1O3"},23668746:{PUBCHEM:{CID:"23668746","Compound Complexity":234,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":16,"IUPAC Name Allowed":"Lithium;12-hydroxyoctadecanoate","IUPAC Name CAS-like Style":"Lithium;12-hydroxyoctadecanoate","IUPAC Name Markup":"Lithium;12-hydroxyoctadecanoate","IUPAC Name Preferred":"Lithium;12-hydroxyoctadecanoate","IUPAC Name Systematic":"Lithium;12-oxidanyloctadecanoate","IUPAC Name Traditional":"Lithium;12-hydroxystearate",InChI:"1S/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1",InChIKey:"FPLIHVCWSXLMPX-UHFFFAOYSA-M","Exact Mass":306.27462342,"Molecular Formula":"C18H35LiO3","Molecular Weight":306.4,"Monoisotopic Mass":306.27462342,Charge:0,"Easy Name":"Lithium 12-hydroxystearate","Easy Category":"Hydroxy acids"},HSDB:{},ReducedFormula:"C18H35Li1O3"},23668839:{PUBCHEM:{CID:"23668839","Compound Complexity":530,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"Sodium;4-(4-anilinophenyl)azobenzenesulfonate","IUPAC Name CAS-like Style":"Sodium;4-(4-anilinophenyl)azobenzenesulfonate","IUPAC Name Markup":"Sodium;4-[(4-anilinophenyl)diazenyl]benzenesulfonate","IUPAC Name Preferred":"Sodium;4-[(4-anilinophenyl)diazenyl]benzenesulfonate","IUPAC Name Systematic":"Sodium;4-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate","IUPAC Name Traditional":"Sodium;4-(4-anilinophenyl)azobesylate",InChI:"1S/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1",InChIKey:"MLVYOYVMOZFHIU-UHFFFAOYSA-M","Exact Mass":375.06535678,"Molecular Formula":"C18H14N3NaO3S","Molecular Weight":375.4,"Monoisotopic Mass":375.06535678,Charge:0,"Easy Name":"Acid orange 5","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C18H14N3Na1O3S1"},23669246:{PUBCHEM:{CID:"23669246","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;chlorite","IUPAC Name CAS-like Style":"Potassium;chlorite","IUPAC Name Markup":"Potassium;chlorite","IUPAC Name Preferred":"Potassium;chlorite","IUPAC Name Systematic":"Potassium;chlorite","IUPAC Name Traditional":"Potassium;chlorite",InChI:"1S/ClHO2.K/c2-1-3;/h(H,2,3);/q;+1/p-1",InChIKey:"VISKNDGJUCDNMS-UHFFFAOYSA-M","Exact Mass":105.9223884,"Molecular Formula":"ClKO2","Molecular Weight":106.55,"Monoisotopic Mass":105.9223884,Charge:0,"Easy Name":"Potassium chlorite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1K1O2"},23669251:{PUBCHEM:{CID:"23669251","Compound Complexity":61.9,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;dihydrogen phosphate","IUPAC Name CAS-like Style":"Lithium;dihydrogen phosphate","IUPAC Name Markup":"Lithium;dihydrogen phosphate","IUPAC Name Preferred":"Lithium;dihydrogen phosphate","IUPAC Name Systematic":"Lithium;dihydrogen phosphate","IUPAC Name Traditional":"Lithium;dihydrogen phosphate",InChI:"1S/Li.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",InChIKey:"SNKMVYBWZDHJHE-UHFFFAOYSA-M","Exact Mass":103.98507398,"Molecular Formula":"H2LiO4P","Molecular Weight":104,"Monoisotopic Mass":103.98507398,Charge:0,"Easy Name":"Lithium Dihydrogen Phosphate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"H2Li1O4P1"},23669634:{PUBCHEM:{CID:"23669634","Compound Complexity":149,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"Potassium;(2S)-2-amino-5-hydroxy-5-oxo-pentanoate","IUPAC Name CAS-like Style":"Potassium;(2S)-2-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Markup":"Potassium;(2S)-2-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Preferred":"Potassium;(2S)-2-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Systematic":"Potassium;(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate","IUPAC Name Traditional":"Potassium;(2S)-2-amino-5-hydroxy-5-keto-valerate",InChI:"1S/C5H9NO4.K/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1",InChIKey:"HQEROMHPIOLGCB-DFWYDOINSA-M","Exact Mass":185.00903923,"Molecular Formula":"C5H8KNO4","Molecular Weight":185.22,"Monoisotopic Mass":185.00903923,Charge:0,"Easy Name":"Monopotassium L-glutamate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C5H8K1N1O4"},23670592:{PUBCHEM:{CID:"23670592","Compound Complexity":6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;ethanolate","IUPAC Name CAS-like Style":"Potassium;ethanolate","IUPAC Name Markup":"Potassium;ethanolate","IUPAC Name Preferred":"Potassium;ethanolate","IUPAC Name Systematic":"Potassium;ethanolate","IUPAC Name Traditional":"Potassium;ethanolate",InChI:"1S/C2H5O.K/c1-2-3;/h2H2,1H3;/q-1;+1",InChIKey:"RPDAUEIUDPHABB-UHFFFAOYSA-N","Exact Mass":83.99774627,"Molecular Formula":"C2H5KO","Molecular Weight":84.16,"Monoisotopic Mass":83.99774627,Charge:0,"Easy Name":"Potassium ethoxide","Easy Category":"Alkoxide"},HSDB:{},ReducedFormula:"C2H5K1O1"},23670858:{PUBCHEM:{CID:"23670858","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;oxido(oxo)alumane","IUPAC Name CAS-like Style":"Potassium;oxido(oxo)alumane","IUPAC Name Markup":"Potassium;oxido(oxo)alumane","IUPAC Name Preferred":"Potassium;oxido(oxo)alumane","IUPAC Name Systematic":"Potassium;oxidanidyl(oxidanylidene)alumane","IUPAC Name Traditional":"Potassium;keto(oxido)alumane",InChI:"1S/Al.K.2O/q;+1;;-1",InChIKey:"KVOIJEARBNBHHP-UHFFFAOYSA-N","Exact Mass":97.9350741,"Molecular Formula":"AlKO2","Molecular Weight":98.079,"Monoisotopic Mass":97.9350741,Charge:0,"Easy Name":"Potassium aluminate","Easy Category":"Oxide"},HSDB:{},ReducedFormula:"Al1K1O2"},23672064:{PUBCHEM:{CID:"23672064","Compound Complexity":61.9,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;dihydrogen phosphate","IUPAC Name CAS-like Style":"Sodium;dihydrogen phosphate","IUPAC Name Markup":"Sodium;dihydrogen phosphate","IUPAC Name Preferred":"Sodium;dihydrogen phosphate","IUPAC Name Systematic":"Sodium;dihydrogen phosphate","IUPAC Name Traditional":"Sodium;dihydrogen phosphate",InChI:"1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",InChIKey:"AJPJDKMHJJGVTQ-UHFFFAOYSA-M","Exact Mass":119.95883982,"Molecular Formula":"H2NaO4P","Molecular Weight":119.977,"Monoisotopic Mass":119.95883982,Charge:0,"Easy Name":"Monosodium phosphate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Colorless, monoclinic crystals"},Density:{Value:"2360 kg/cu m"},"Melting Point":{Value:"200 °C (decomposes)"},Odor:{Value:"Odorless"},pH:{Value:"The pH of a 1% aqueous solution is 4.5"},Solubility:{Value:"In water, 85 g/100 mL"},Uses:{Value:"For monosodium dihydrogen phosphate (USEPA/OPP Pesticide Code: 076409) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"}},ReducedFormula:"H2Na1O4P1"},23672308:{PUBCHEM:{CID:"23672308","Compound Complexity":149,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"Sodium;(2S)-2-amino-5-hydroxy-5-oxo-pentanoate","IUPAC Name CAS-like Style":"Sodium;(2S)-2-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Markup":"Sodium;(2S)-2-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Preferred":"Sodium;(2S)-2-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Systematic":"Sodium;(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate","IUPAC Name Traditional":"Sodium;(2S)-2-amino-5-hydroxy-5-keto-valerate",InChI:"1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1",InChIKey:"LPUQAYUQRXPFSQ-DFWYDOINSA-M","Exact Mass":169.03510202,"Molecular Formula":"C5H8NNaO4","Molecular Weight":169.11,"Monoisotopic Mass":169.03510202,Charge:0,"Easy Name":"Monosodium L-glutamate","Easy Category":"Organic salt"},HSDB:{"Boiling Point":{Value:"225 °C (decomposes)"},"Color And Form":{Value:"White free flowing crystals or crystalline powder"},Density:{Value:"26.2 (saturated water solution at 20 °C)"},Odor:{Value:"Practically odorless"},pH:{Value:"pH = 6.8 (5% solution); pH = 7.0 (3% solution)"},Solubility:{Value:"SPARINGLY SOL IN ALCOHOL"},Taste:{Value:"Meaty taste comes from contaminants in crude glutamates; sweet-saline taste in large concn; no flavor in small quantity"},Uses:{Value:"Flavor enhancer"}},ReducedFormula:"C5H8N1Na1O4"},23672312:{PUBCHEM:{CID:"23672312","Compound Complexity":334,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":19,"IUPAC Name Allowed":"Sodium;2-octadecanoyloxypropanoate","IUPAC Name CAS-like Style":"Sodium;2-(1-oxooctadecoxy)propanoate","IUPAC Name Markup":"Sodium;2-octadecanoyloxypropanoate","IUPAC Name Preferred":"Sodium;2-octadecanoyloxypropanoate","IUPAC Name Systematic":"Sodium;2-octadecanoyloxypropanoate","IUPAC Name Traditional":"Sodium;2-stearoyloxypropionate",InChI:"1S/C21H40O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h19H,3-18H2,1-2H3,(H,23,24);/q;+1/p-1",InChIKey:"KNYAZNABVSEZDS-UHFFFAOYSA-M","Exact Mass":378.27460402,"Molecular Formula":"C21H39NaO4","Molecular Weight":378.5,"Monoisotopic Mass":378.27460402,Charge:0,"Easy Name":"Sodium 1-carboxylatoethyl stearate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C21H39Na1O4"},23673451:{PUBCHEM:{CID:"23673451","Compound Complexity":34.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;thiocyanate","IUPAC Name CAS-like Style":"Lithium;thiocyanate","IUPAC Name Markup":"Lithium;thiocyanate","IUPAC Name Preferred":"Lithium;thiocyanate","IUPAC Name Systematic":"Lithium;thiocyanate","IUPAC Name Traditional":"Lithium;thiocyanate",InChI:"1S/CHNS.Li/c2-1-3;/h3H;/q;+1/p-1",InChIKey:"ZJZXSOKJEJFHCP-UHFFFAOYSA-M","Exact Mass":64.99114862,"Molecular Formula":"CLiNS","Molecular Weight":65.1,"Monoisotopic Mass":64.99114862,Charge:0,"Easy Name":"Lithium thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1Li1N1S1"},23673458:{PUBCHEM:{CID:"23673458","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;permanganate","IUPAC Name CAS-like Style":"Sodium;permanganate","IUPAC Name Markup":"Sodium;permanganate","IUPAC Name Preferred":"Sodium;permanganate","IUPAC Name Systematic":"Sodium;permanganate","IUPAC Name Traditional":"Sodium;permanganate",InChI:"1S/Mn.Na.4O/q;+1;;;;-1",InChIKey:"WPWYHBSOACXYBB-UHFFFAOYSA-N","Exact Mass":141.907471,"Molecular Formula":"MnNaO4","Molecular Weight":141.925,"Monoisotopic Mass":141.907471,Charge:0,"Easy Name":"Sodium permanganate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"Red crystals"},Density:{Value:"1.972 g/cu cm"},"Melting Point":{Value:"Decomposes"},Solubility:{Value:"Readily soluble in water (900 g/l at ambient temperature)"},Uses:{Value:"Oxidizing agent; disinfectant; bactericide; manufacture of saccharin; antidote for poisoning by morphine, curare, and phosphorus. /Trihydrate/"}},ReducedFormula:"Mn1Na1O4"},23673461:{PUBCHEM:{CID:"23673461","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;bromate","IUPAC Name CAS-like Style":"Potassium;bromate","IUPAC Name Markup":"Potassium;bromate","IUPAC Name Preferred":"Potassium;bromate","IUPAC Name Systematic":"Potassium;bromate","IUPAC Name Traditional":"Potassium;bromate",InChI:"1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"OCATYIAKPYKMPG-UHFFFAOYSA-M","Exact Mass":165.86679,"Molecular Formula":"BrKO3","Molecular Weight":167,"Monoisotopic Mass":165.86679,Charge:0,"Easy Name":"Potassium bromate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White hexagonal crystal"},Density:{Value:"3.27 g/cu m at 17.5 °C"},"Melting Point":{Value:"350 °C; decomposes at 370 °C with evolution of oxygen."},Odor:{Value:"Odorless"},pH:{Value:"The pH of a 1:20 aqueous solution is between 5 and 9"},Solubility:{Value:"Solubility (g/100 g water): 3.1 at 0 °C; 6.9 at 20 °C; 13.1 at 40 °C; 22.2 at 60 °C; 33.9 at 80 °C; 49.7 at 100 °C"},Taste:{Value:"Tasteless"},Uses:{Value:"Laboratory reagent, oxidizing agent, permanent-wave compounds, maturing agent in flour, dough conditioner, food additive."}},ReducedFormula:"Br1K1O3"},23673641:{PUBCHEM:{CID:"23673641","Compound Complexity":13.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);formate","IUPAC Name CAS-like Style":"Rubidium(1+);formate","IUPAC Name Markup":"Rubidium(1+);formate","IUPAC Name Preferred":"Rubidium(1+);formate","IUPAC Name Systematic":"Rubidium(1+);methanoate","IUPAC Name Traditional":"Rubidium(1+);formate",InChI:"1S/CH2O2.Rb/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",InChIKey:"ZIMBPNXOLRMVGV-UHFFFAOYSA-M","Exact Mass":129.90944401,"Molecular Formula":"CHO2Rb","Molecular Weight":130.485,"Monoisotopic Mass":129.90944401,Charge:0,"Easy Name":"Rubidium formate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C1H1O2Rb1"},23673706:{PUBCHEM:{CID:"23673706","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);iodate","IUPAC Name CAS-like Style":"Rubidium(1+);iodate","IUPAC Name Markup":"Rubidium(1+);iodate","IUPAC Name Preferred":"Rubidium(1+);iodate","IUPAC Name Systematic":"Rubidium(1+);iodate","IUPAC Name Traditional":"Rubidium(1+);iodate",InChI:"1S/HIO3.Rb/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"CIOUAZZDKTZOPK-UHFFFAOYSA-M","Exact Mass":259.80101,"Molecular Formula":"IO3Rb","Molecular Weight":260.37,"Monoisotopic Mass":259.80101,Charge:0,"Easy Name":"Rubidium iodate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I1O3Rb1"},23673709:{PUBCHEM:{CID:"23673709","Compound Complexity":13.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;nitrite","IUPAC Name CAS-like Style":"Lithium;nitrite","IUPAC Name Markup":"Lithium;nitrite","IUPAC Name Preferred":"Lithium;nitrite","IUPAC Name Systematic":"Lithium;nitrite","IUPAC Name Traditional":"Lithium;nitrite",InChI:"1S/Li.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",InChIKey:"IDNHOWMYUQKKTI-UHFFFAOYSA-M","Exact Mass":53.00890668,"Molecular Formula":"LiNO2","Molecular Weight":53,"Monoisotopic Mass":53.00890668,Charge:0,"Easy Name":"Lithium nitrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Li1N1O2"},23673712:{PUBCHEM:{CID:"23673712","Compound Complexity":4.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;hypobromite","IUPAC Name CAS-like Style":"Sodium;hypobromite","IUPAC Name Markup":"Sodium;hypobromite","IUPAC Name Preferred":"Sodium;hypobromite","IUPAC Name Systematic":"Sodium;hypobromite","IUPAC Name Traditional":"Sodium;hypobromite",InChI:"1S/BrO.Na/c1-2;/q-1;+1",InChIKey:"CRWJEUDFKNYSBX-UHFFFAOYSA-N","Exact Mass":117.90302,"Molecular Formula":"BrNaO","Molecular Weight":118.89,"Monoisotopic Mass":117.90302,Charge:0,"Easy Name":"Sodium hypobromite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1Na1O1"},23673835:{PUBCHEM:{CID:"23673835","Compound Complexity":448,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Sodium;4-[4-(dimethylamino)phenyl]azobenzenesulfonate","IUPAC Name CAS-like Style":"Sodium;4-[4-(dimethylamino)phenyl]azobenzenesulfonate","IUPAC Name Markup":"Sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate","IUPAC Name Preferred":"Sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate","IUPAC Name Systematic":"Sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate","IUPAC Name Traditional":"Sodium;4-[4-(dimethylamino)phenyl]azobesylate",InChI:"1S/C14H15N3O3S.Na/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;/h3-10H,1-2H3,(H,18,19,20);/q;+1/p-1",InChIKey:"STZCRXQWRGQSJD-UHFFFAOYSA-M","Exact Mass":327.06535678,"Molecular Formula":"C14H14N3NaO3S","Molecular Weight":327.34,"Monoisotopic Mass":327.06535678,Charge:0,"Easy Name":"Methyl orange","Easy Category":"Aromatic hydrocarbon"},HSDB:{"Color And Form":{Value:"ORANGE-YELLOW POWDER OR CRYSTALLINE SCALES"},"Melting Point":{Value:">300 °C"},Solubility:{Value:"SOL IN 500 PARTS WATER; MORE SOL IN HOT WATER"},Uses:{Value:"Reagent for the detection of bromine."}},ReducedFormula:"C14H14N3Na1O3S1"},23673840:{PUBCHEM:{CID:"23673840","Compound Complexity":207,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":16,"IUPAC Name Allowed":"Potassium;octadecanoate","IUPAC Name CAS-like Style":"Potassium;octadecanoate","IUPAC Name Markup":"Potassium;octadecanoate","IUPAC Name Preferred":"Potassium;octadecanoate","IUPAC Name Systematic":"Potassium;octadecanoate","IUPAC Name Traditional":"Potassium;stearate",InChI:"1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",InChIKey:"ANBFRLKBEIFNQU-UHFFFAOYSA-M","Exact Mass":322.22741185,"Molecular Formula":"C18H35KO2","Molecular Weight":322.6,"Monoisotopic Mass":322.22741185,Charge:0,"Easy Name":"Potassium stearate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C18H35K1O2"},23674317:{PUBCHEM:{CID:"23674317","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);chlorate","IUPAC Name CAS-like Style":"Rubidium(1+);chlorate","IUPAC Name Markup":"Rubidium(1+);chlorate","IUPAC Name Preferred":"Rubidium(1+);chlorate","IUPAC Name Systematic":"Rubidium(1+);chlorate","IUPAC Name Traditional":"Rubidium(1+);chlorate",InChI:"1S/ClHO3.Rb/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"GZXRGRLACABJNC-UHFFFAOYSA-M","Exact Mass":167.8653863,"Molecular Formula":"ClO3Rb","Molecular Weight":168.92,"Monoisotopic Mass":167.8653863,Charge:0,"Easy Name":"Rubidium chlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1O3Rb1"},23674425:{PUBCHEM:{CID:"23674425","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);bromate","IUPAC Name CAS-like Style":"Rubidium(1+);bromate","IUPAC Name Markup":"Rubidium(1+);bromate","IUPAC Name Preferred":"Rubidium(1+);bromate","IUPAC Name Systematic":"Rubidium(1+);bromate","IUPAC Name Traditional":"Rubidium(1+);bromate",InChI:"1S/BrHO3.Rb/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"LACSDIAFVPRAER-UHFFFAOYSA-M","Exact Mass":211.81487,"Molecular Formula":"BrO3Rb","Molecular Weight":213.37,"Monoisotopic Mass":211.81487,Charge:0,"Easy Name":"Rubidium bromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1O3Rb1"},23674441:{PUBCHEM:{CID:"23674441","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);periodate","IUPAC Name CAS-like Style":"Rubidium(1+);periodate","IUPAC Name Markup":"Rubidium(1+);periodate","IUPAC Name Preferred":"Rubidium(1+);periodate","IUPAC Name Systematic":"Rubidium(1+);periodate","IUPAC Name Traditional":"Rubidium(1+);periodate",InChI:"1S/HIO4.Rb/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"VSKZPMJZTZBXCF-UHFFFAOYSA-M","Exact Mass":275.79592,"Molecular Formula":"IO4Rb","Molecular Weight":276.37,"Monoisotopic Mass":275.79592,Charge:0,"Easy Name":"Rubidium Periodate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I1O4Rb1"},23674443:{PUBCHEM:{CID:"23674443","Compound Complexity":34.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);thiocyanate","IUPAC Name CAS-like Style":"Rubidium(1+);thiocyanate","IUPAC Name Markup":"Rubidium(1+);thiocyanate","IUPAC Name Preferred":"Rubidium(1+);thiocyanate","IUPAC Name Systematic":"Rubidium(1+);thiocyanate","IUPAC Name Traditional":"Rubidium(1+);thiocyanate",InChI:"1S/CHNS.Rb/c2-1-3;/h3H;/q;+1/p-1",InChIKey:"XCVATCNEKJLNNY-UHFFFAOYSA-M","Exact Mass":142.88693492,"Molecular Formula":"CNRbS","Molecular Weight":143.55,"Monoisotopic Mass":142.88693492,Charge:0,"Easy Name":"Rubidium thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1N1Rb1S1"},23674761:{PUBCHEM:{CID:"23674761","Compound Complexity":44.1,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Sodium;methyl carbonate","IUPAC Name CAS-like Style":"Sodium;methyl carbonate","IUPAC Name Markup":"Sodium;methyl carbonate","IUPAC Name Preferred":"Sodium;methyl carbonate","IUPAC Name Systematic":"Sodium;methyl carbonate","IUPAC Name Traditional":"Sodium;methyl carbonate",InChI:"1S/C2H4O3.Na/c1-5-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",InChIKey:"OWSBHFWSKFIEGF-UHFFFAOYSA-M","Exact Mass":97.99798824,"Molecular Formula":"C2H3NaO3","Molecular Weight":98.03,"Monoisotopic Mass":97.99798824,Charge:0,"Easy Name":"Sodium;methyl carbonate","Easy Category":"Ester"},HSDB:{},ReducedFormula:"C2H3Na1O3"},23675353:{PUBCHEM:{CID:"23675353","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/AsHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"MNSRNEWGVNQDQV-UHFFFAOYSA-M","Exact Mass":145.896108,"Molecular Formula":"AsNaO3","Molecular Weight":145.91,"Monoisotopic Mass":145.896108,Charge:0,"Easy Name":"Sodium metaarsenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"As1Na1O3"},23675764:{PUBCHEM:{CID:"23675764","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;iodate","IUPAC Name CAS-like Style":"Sodium;iodate","IUPAC Name Markup":"Sodium;iodate","IUPAC Name Preferred":"Sodium;iodate","IUPAC Name Systematic":"Sodium;iodate","IUPAC Name Traditional":"Sodium;iodate",InChI:"1S/HIO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"WTCBONOLBHEDIL-UHFFFAOYSA-M","Exact Mass":197.87898,"Molecular Formula":"INaO3","Molecular Weight":197.892,"Monoisotopic Mass":197.87898,Charge:0,"Easy Name":"Sodium iodate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White, crystal powder"},Density:{Value:"4.28"},pH:{Value:"Aq soln is neutral"},Solubility:{Value:"Solubility in water: 9 g/100 cc @ 20 °C; 34 g/100 cc @ 100 °C; soluble in acetic acid; insol in alcohol"},Uses:{Value:"Trace mineral added to animal feeds, disinfectants, antiseptic"}},ReducedFormula:"I1Na1O3"},23676735:{PUBCHEM:{CID:"23676735","Compound Complexity":204,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Potassium;2-carboxybenzoate","IUPAC Name CAS-like Style":"Potassium;2-carboxybenzoate","IUPAC Name Markup":"Potassium;2-carboxybenzoate","IUPAC Name Preferred":"Potassium;2-carboxybenzoate","IUPAC Name Systematic":"Potassium;2-carboxybenzoate","IUPAC Name Traditional":"Potassium;2-carboxybenzoate",InChI:"1S/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1",InChIKey:"IWZKICVEHNUQTL-UHFFFAOYSA-M","Exact Mass":203.98249013,"Molecular Formula":"C8H5KO4","Molecular Weight":204.22,"Monoisotopic Mass":203.98249013,Charge:0,"Easy Name":"Potassium hydrogen phthalate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"C8H5K1O4"},23676742:{PUBCHEM:{CID:"23676742","Compound Complexity":308,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);tetraphenylboranuide","IUPAC Name CAS-like Style":"Rubidium(1+);tetraphenylboranuide","IUPAC Name Markup":"Rubidium(1+);tetraphenylboranuide","IUPAC Name Preferred":"Rubidium(1+);tetraphenylboranuide","IUPAC Name Systematic":"Rubidium(1+);tetraphenylboranuide","IUPAC Name Traditional":"Rubidium(1+);tetraphenylboranuide",InChI:"1S/C24H20B.Rb/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1",InChIKey:"SQJLZQVNFRBQQI-UHFFFAOYSA-N","Exact Mass":404.0775955,"Molecular Formula":"C24H20BRb","Molecular Weight":404.7,"Monoisotopic Mass":404.0775955,Charge:0,"Easy Name":"Rubidium tetraphenylborate (1-)","Easy Category":"Organoboron compounds"},HSDB:{},ReducedFormula:"B1C24H20Rb1"},23677635:{PUBCHEM:{CID:"23677635","Compound Complexity":93.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;hydrogen sulfate","IUPAC Name CAS-like Style":"Cesium;hydrogen sulfate","IUPAC Name Markup":"Cesium;hydrogen sulfate","IUPAC Name Preferred":"Cesium;hydrogen sulfate","IUPAC Name Systematic":"Cesium;hydrogen sulfate","IUPAC Name Traditional":"Cesium;bisulfate",InChI:"1S/Cs.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",InChIKey:"MEAHOQPOZNHISZ-UHFFFAOYSA-M","Exact Mass":229.86500665,"Molecular Formula":"CsHO4S","Molecular Weight":229.98,"Monoisotopic Mass":229.86500665,Charge:0,"Easy Name":"Cesium;hydrogen sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs1H1O4S1"},23678140:{PUBCHEM:{CID:"23678140","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;perbromate","IUPAC Name CAS-like Style":"Lithium;perbromate","IUPAC Name Markup":"Lithium;perbromate","IUPAC Name Preferred":"Lithium;perbromate","IUPAC Name Systematic":"Lithium;perbromate","IUPAC Name Traditional":"Lithium;perbromate",InChI:"1S/BrHO4.Li/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"ULVBLLSOTHFGPC-UHFFFAOYSA-M","Exact Mass":149.914,"Molecular Formula":"BrLiO4","Molecular Weight":150.9,"Monoisotopic Mass":149.914,Charge:0,"Easy Name":"Lithium perbromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1Li1O4"},23678324:{PUBCHEM:{CID:"23678324","Compound Complexity":308,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;tetraphenylboranuide","IUPAC Name CAS-like Style":"Cesium;tetraphenylboranuide","IUPAC Name Markup":"Cesium;tetraphenylboranuide","IUPAC Name Preferred":"Cesium;tetraphenylboranuide","IUPAC Name Systematic":"Cesium;tetraphenylboranuide","IUPAC Name Traditional":"Cesium;tetraphenylboranuide",InChI:"1S/C24H20B.Cs/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1",InChIKey:"UNGHRMDIEUCTPZ-UHFFFAOYSA-N","Exact Mass":452.0712578,"Molecular Formula":"C24H20BCs","Molecular Weight":452.1,"Monoisotopic Mass":452.0712578,Charge:0,"Easy Name":"Cesium Tetraphenylborate","Easy Category":"Organoboron compounds"},HSDB:{},ReducedFormula:"B1C24Cs1H20"},23678579:{PUBCHEM:{CID:"23678579","Compound Complexity":33.9,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;hydrogen sulfite","IUPAC Name CAS-like Style":"Lithium;hydrogen sulfite","IUPAC Name Markup":"Lithium;hydrogen sulfite","IUPAC Name Preferred":"Lithium;hydrogen sulfite","IUPAC Name Systematic":"Lithium;hydrogen sulfite","IUPAC Name Traditional":"Lithium;bisulfite",InChI:"1S/Li.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",InChIKey:"SUPUVLWGKPVHBQ-UHFFFAOYSA-M","Exact Mass":87.9806435,"Molecular Formula":"HLiO3S","Molecular Weight":88,"Monoisotopic Mass":87.9806435,Charge:0,"Easy Name":"Lithium bisulfite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H1Li1O3S1"},23678652:{PUBCHEM:{CID:"23678652","Compound Complexity":96.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/FHO3S.K/c1-5(2,3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"VXJAYNWISQFORV-UHFFFAOYSA-M","Exact Mass":137.91892468,"Molecular Formula":"FKO3S","Molecular Weight":138.16,"Monoisotopic Mass":137.91892468,Charge:0,"Easy Name":"Potassium fluorosulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1K1O3S1"},23678979:{PUBCHEM:{CID:"23678979","Compound Complexity":548,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":2,"IUPAC Name Allowed":"Sodium;(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name CAS-like Style":"Sodium;(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name Markup":"Sodium;(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name Preferred":"Sodium;(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name Systematic":"Sodium;(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate","IUPAC Name Traditional":"Sodium;(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate",InChI:"1S/C20H30O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+1/p-1/t16-,17+,19+,20+;/m0./s1",InChIKey:"ITCAUAYQCALGGV-XTICBAGASA-M","Exact Mass":324.20652446,"Molecular Formula":"C20H29NaO2","Molecular Weight":324.4,"Monoisotopic Mass":324.20652446,Charge:0,"Easy Name":"Sodium abietate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C20H29Na1O2"},23679270:{PUBCHEM:{CID:"23679270","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Oxido(dioxo)tantalum;rubidium(1+)","IUPAC Name CAS-like Style":"Oxido(dioxo)tantalum;rubidium(1+)","IUPAC Name Markup":"Oxido(dioxo)tantalum;rubidium(1+)","IUPAC Name Preferred":"Oxido(dioxo)tantalum;rubidium(1+)","IUPAC Name Systematic":"Oxidanidyl-bis(oxidanylidene)tantalum;rubidium(1+)","IUPAC Name Traditional":"Diketo(oxido)tantalum;rubidium(1+)",InChI:"1S/3O.Rb.Ta/q;;-1;+1;",InChIKey:"AZPOBMKASWKAHV-UHFFFAOYSA-N","Exact Mass":313.84453,"Molecular Formula":"O3RbTa","Molecular Weight":314.414,"Monoisotopic Mass":313.84453,Charge:0,"Easy Name":"Rubidium tantalate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"O3Rb1Ta1"},23682006:{PUBCHEM:{CID:"23682006","Compound Complexity":619,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Sodium;4-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate","IUPAC Name CAS-like Style":"Sodium;4-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate","IUPAC Name Markup":"Sodium;4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate","IUPAC Name Preferred":"Sodium;4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate","IUPAC Name Systematic":"Sodium;4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate","IUPAC Name Traditional":"Sodium;4-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]besylate",InChI:"1S/C16H12N2O4S.Na/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h1-10,17H,(H,20,21,22);/q;+1/p-1/b18-16+;",InChIKey:"IGQFKZCLTLAWLO-HYNBPGMHSA-M","Exact Mass":350.0337223,"Molecular Formula":"C16H11N2NaO4S","Molecular Weight":350.3,"Monoisotopic Mass":350.0337223,Charge:0,"Easy Name":"Acid Orange 7","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C16H11N2Na1O4S1"},23682463:{PUBCHEM:{CID:"23682463","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;chlorate","IUPAC Name CAS-like Style":"Lithium;chlorate","IUPAC Name Markup":"Lithium;chlorate","IUPAC Name Preferred":"Lithium;chlorate","IUPAC Name Systematic":"Lithium;chlorate","IUPAC Name Traditional":"Lithium;chlorate",InChI:"1S/ClHO3.Li/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"XQHAGELNRSUUGU-UHFFFAOYSA-M","Exact Mass":89.9696,"Molecular Formula":"ClLiO3","Molecular Weight":90.4,"Monoisotopic Mass":89.9696,Charge:0,"Easy Name":"Lithium chlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1Li1O3"},23682789:{PUBCHEM:{CID:"23682789","Compound Complexity":515,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":9,"IUPAC Name Allowed":"Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate","IUPAC Name CAS-like Style":"Sodium;2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoate","IUPAC Name Markup":"Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate","IUPAC Name Preferred":"Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate","IUPAC Name Systematic":"Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate","IUPAC Name Traditional":"Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate",InChI:"1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1",InChIKey:"FUHMZYWBSHTEDZ-UHFFFAOYSA-M","Exact Mass":452.0944078,"Molecular Formula":"C19H17N4NaO8","Molecular Weight":452.3,"Monoisotopic Mass":452.0944078,Charge:0,"Easy Name":"Bispyribac-sodium","Easy Category":"Herbicide"},HSDB:{},ReducedFormula:"C19H17N4Na1O8"},23685550:{PUBCHEM:{CID:"23685550","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;bromate","IUPAC Name CAS-like Style":"Cesium;bromate","IUPAC Name Markup":"Cesium;bromate","IUPAC Name Preferred":"Cesium;bromate","IUPAC Name Systematic":"Cesium;bromate","IUPAC Name Traditional":"Cesium;bromate",InChI:"1S/BrHO3.Cs/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"LCIQMVZXQUMARP-UHFFFAOYSA-M","Exact Mass":259.80853,"Molecular Formula":"BrCsO3","Molecular Weight":260.81,"Monoisotopic Mass":259.80853,Charge:0,"Easy Name":"Caesium bromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1Cs1O3"},23685553:{PUBCHEM:{CID:"23685553","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;chlorate","IUPAC Name CAS-like Style":"Cesium;chlorate","IUPAC Name Markup":"Cesium;chlorate","IUPAC Name Preferred":"Cesium;chlorate","IUPAC Name Systematic":"Cesium;chlorate","IUPAC Name Traditional":"Cesium;chlorate",InChI:"1S/ClHO3.Cs/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"VSQHTVCBHFZBOT-UHFFFAOYSA-M","Exact Mass":215.8590485,"Molecular Formula":"ClCsO3","Molecular Weight":216.36,"Monoisotopic Mass":215.8590485,Charge:0,"Easy Name":"Caesium chlorate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1Cs1O3"},23685983:{PUBCHEM:{CID:"23685983","Compound Complexity":12.8,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rubidium(1+);cyanide","IUPAC Name CAS-like Style":"Rubidium(1+);cyanide","IUPAC Name Markup":"Rubidium(1+);cyanide","IUPAC Name Preferred":"Rubidium(1+);cyanide","IUPAC Name Systematic":"Rubidium(1+);cyanide","IUPAC Name Traditional":"Rubidium(1+);cyanide",InChI:"1S/CN.Rb/c1-2;/q-1;+1",InChIKey:"LVVHSFSKNVFYAG-UHFFFAOYSA-N","Exact Mass":110.91486374,"Molecular Formula":"CNRb","Molecular Weight":111.485,"Monoisotopic Mass":110.91486374,Charge:0,"Easy Name":"Rubidium cyanide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1N1Rb1"},23687519:{PUBCHEM:{CID:"23687519","Compound Complexity":237,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"Potassium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate","IUPAC Name CAS-like Style":"Potassium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate","IUPAC Name Markup":"Potassium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate","IUPAC Name Preferred":"Potassium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate","IUPAC Name Systematic":"Potassium;(2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-5-oxidanylidene-2H-furan-3-olate","IUPAC Name Traditional":"Potassium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-keto-2H-furan-3-olate",InChI:"1S/C6H8O6.K/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1",InChIKey:"CONVKSGEGAVTMB-RXSVEWSESA-M","Exact Mass":213.98796943,"Molecular Formula":"C6H7KO6","Molecular Weight":214.21,"Monoisotopic Mass":213.98796943,Charge:0,"Easy Name":"Potassium L-ascorbate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C6H7K1O6"},23687747:{PUBCHEM:{CID:"23687747","Compound Complexity":49.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;iodate","IUPAC Name CAS-like Style":"Lithium;iodate","IUPAC Name Markup":"Lithium;iodate","IUPAC Name Preferred":"Lithium;iodate","IUPAC Name Systematic":"Lithium;iodate","IUPAC Name Traditional":"Lithium;iodate",InChI:"1S/HIO3.Li/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",InChIKey:"FZAXZVHFYFGNBX-UHFFFAOYSA-M","Exact Mass":181.90522,"Molecular Formula":"ILiO3","Molecular Weight":181.9,"Monoisotopic Mass":181.90522,Charge:0,"Easy Name":"Lithium iodate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I1Li1O3"},23691721:{PUBCHEM:{CID:"23691721","Compound Complexity":170,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;3,4-dioxocyclobuten-1-olate","IUPAC Name CAS-like Style":"Sodium;3,4-dioxo-1-cyclobutenolate","IUPAC Name Markup":"Sodium;3,4-dioxocyclobuten-1-olate","IUPAC Name Preferred":"Sodium;3,4-dioxocyclobuten-1-olate","IUPAC Name Systematic":"Sodium;3,4-bis(oxidanylidene)cyclobuten-1-olate","IUPAC Name Traditional":"Sodium;3,4-diketocyclobuten-1-olate",InChI:"1S/C4H2O3.Na/c5-2-1-3(6)4(2)7;/h1,5H;/q;+1/p-1",InChIKey:"FERDNJVXTWPNSA-UHFFFAOYSA-M","Exact Mass":119.98233817,"Molecular Formula":"C4HNaO3","Molecular Weight":120.04,"Monoisotopic Mass":119.98233817,Charge:0,"Easy Name":"Moniliformin","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C4H1Na1O3"},23694897:{PUBCHEM:{CID:"23694897","Compound Complexity":34.5,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;thiocyanate","IUPAC Name CAS-like Style":"Cesium;thiocyanate","IUPAC Name Markup":"Cesium;thiocyanate","IUPAC Name Preferred":"Cesium;thiocyanate","IUPAC Name Systematic":"Cesium;thiocyanate","IUPAC Name Traditional":"Cesium;thiocyanate",InChI:"1S/CHNS.Cs/c2-1-3;/h3H;/q;+1/p-1",InChIKey:"QUPYHCHUQVNFJW-UHFFFAOYSA-M","Exact Mass":190.88059714,"Molecular Formula":"CCsNS","Molecular Weight":190.99,"Monoisotopic Mass":190.88059714,Charge:0,"Easy Name":"Cesium Thiocyanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C1Cs1N1S1"},23695404:{PUBCHEM:{CID:"23695404","Compound Complexity":4.8,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;hypochlorite","IUPAC Name CAS-like Style":"Cesium;hypochlorite","IUPAC Name Markup":"Cesium;hypochlorite","IUPAC Name Preferred":"Cesium;hypochlorite","IUPAC Name Systematic":"Cesium;hypochlorite","IUPAC Name Traditional":"Cesium;hypochlorite",InChI:"1S/ClO.Cs/c1-2;/q-1;+1",InChIKey:"NAUYPMGGXDOAHX-UHFFFAOYSA-N","Exact Mass":183.8692193,"Molecular Formula":"ClCsO","Molecular Weight":184.36,"Monoisotopic Mass":183.8692193,Charge:0,"Easy Name":"Caesium hypochlorite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cl1Cs1O1"},23697193:{PUBCHEM:{CID:"23697193","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;perbromate","IUPAC Name CAS-like Style":"Sodium;perbromate","IUPAC Name Markup":"Sodium;perbromate","IUPAC Name Preferred":"Sodium;perbromate","IUPAC Name Systematic":"Sodium;perbromate","IUPAC Name Traditional":"Sodium;perbromate",InChI:"1S/BrHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"CLURAKRVQIPBCC-UHFFFAOYSA-M","Exact Mass":165.88777,"Molecular Formula":"BrNaO4","Molecular Weight":166.89,"Monoisotopic Mass":165.88777,Charge:0,"Easy Name":"Sodium perbromate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br1Na1O4"},23699611:{PUBCHEM:{CID:"23699611","Compound Complexity":791,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"Sodium;(4Z)-4-[(1-hydroxy-2-naphthyl)hydrazono]-3-oxo-naphthalene-1-sulfonate","IUPAC Name CAS-like Style":"Sodium;(4Z)-4-[(1-hydroxy-2-naphthalenyl)hydrazinylidene]-3-oxo-1-naphthalenesulfonate","IUPAC Name Markup":"Sodium;(4Z)-4-[(1-hydroxynaphthalen-2-yl)hydrazinylidene]-3-oxonaphthalene-1-sulfonate","IUPAC Name Preferred":"Sodium;(4Z)-4-[(1-hydroxynaphthalen-2-yl)hydrazinylidene]-3-oxonaphthalene-1-sulfonate","IUPAC Name Systematic":"Sodium;(4Z)-3-oxidanylidene-4-[(1-oxidanylnaphthalen-2-yl)hydrazinylidene]naphthalene-1-sulfonate","IUPAC Name Traditional":"Sodium;(4Z)-4-[(1-hydroxy-2-naphthyl)hydrazono]-3-keto-naphthalene-1-sulfonate",InChI:"1S/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,21,24H,(H,25,26,27);/q;+1/p-1/b22-19-;",InChIKey:"YRFCCVCSEVISHI-GXTSIBQPSA-M","Exact Mass":416.04428698,"Molecular Formula":"C20H13N2NaO5S","Molecular Weight":416.4,"Monoisotopic Mass":416.04428698,Charge:0,"Easy Name":"Mordant Black 3","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C20H13N2Na1O5S1"},23701268:{PUBCHEM:{CID:"23701268","Compound Complexity":6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ethanolate;rubidium(1+)","IUPAC Name CAS-like Style":"Ethanolate;rubidium(1+)","IUPAC Name Markup":"Ethanolate;rubidium(1+)","IUPAC Name Preferred":"Ethanolate;rubidium(1+)","IUPAC Name Systematic":"Ethanolate;rubidium(1+)","IUPAC Name Traditional":"Ethanolate;rubidium(1+)",InChI:"1S/C2H5O.Rb/c1-2-3;/h2H2,1H3;/q-1;+1",InChIKey:"JBOAOTRFANJYGJ-UHFFFAOYSA-N","Exact Mass":129.94582952,"Molecular Formula":"C2H5ORb","Molecular Weight":130.53,"Monoisotopic Mass":129.94582952,Charge:0,"Easy Name":"Rubidium ethanolate","Easy Category":"Alkoxide"},HSDB:{},ReducedFormula:"C2H5O1Rb1"},23702481:{PUBCHEM:{CID:"23702481","Compound Complexity":947,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"Sodium;(4Z)-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)hydrazono]-3-oxo-naphthalene-1-sulfonate","IUPAC Name CAS-like Style":"Sodium;(4Z)-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-3-oxo-1-naphthalenesulfonate","IUPAC Name Markup":"Sodium;(4Z)-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-3-oxonaphthalene-1-sulfonate","IUPAC Name Preferred":"Sodium;(4Z)-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-3-oxonaphthalene-1-sulfonate","IUPAC Name Systematic":"Sodium;(4Z)-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonate","IUPAC Name Traditional":"Sodium;(4Z)-3-keto-4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)hydrazono]naphthalene-1-sulfonate",InChI:"1S/C20H16N4O5S.Na/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;/h2-11,21,23H,1H3,(H,27,28,29);/q;+1/p-1/b22-19-;",InChIKey:"BEYSRXYZDVFBNF-GXTSIBQPSA-M","Exact Mass":446.06608506,"Molecular Formula":"C20H15N4NaO5S","Molecular Weight":446.4,"Monoisotopic Mass":446.06608506,Charge:0,"Easy Name":"Eriochrome Red B","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C20H15N4Na1O5S1"},23707539:{PUBCHEM:{CID:"23707539","Compound Complexity":13.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;nitrite","IUPAC Name CAS-like Style":"Cesium;nitrite","IUPAC Name Markup":"Cesium;nitrite","IUPAC Name Preferred":"Cesium;nitrite","IUPAC Name Systematic":"Cesium;nitrite","IUPAC Name Traditional":"Cesium;nitrite",InChI:"1S/Cs.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",InChIKey:"AJAFRMGZWFDZAS-UHFFFAOYSA-M","Exact Mass":178.8983552,"Molecular Formula":"CsNO2","Molecular Weight":178.911,"Monoisotopic Mass":178.8983552,Charge:0,"Easy Name":"Cesium nitrite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cs1N1O2"},23711816:{PUBCHEM:{CID:"23711816","Compound Complexity":118,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;periodate","IUPAC Name CAS-like Style":"Lithium;periodate","IUPAC Name Markup":"Lithium;periodate","IUPAC Name Preferred":"Lithium;periodate","IUPAC Name Systematic":"Lithium;periodate","IUPAC Name Traditional":"Lithium;periodate",InChI:"1S/HIO4.Li/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",InChIKey:"SYWXNZXEJFSLEU-UHFFFAOYSA-M","Exact Mass":197.90013,"Molecular Formula":"ILiO4","Molecular Weight":197.9,"Monoisotopic Mass":197.90013,Charge:0,"Easy Name":"Lithium periodate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"I1Li1O4"},23713649:{PUBCHEM:{CID:"23713649","Compound Complexity":36.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/FHO2S.K/c1-4(2)3;/h(H,2,3);/q;+1/p-1",InChIKey:"SGQWCRMKJYYBKC-UHFFFAOYSA-M","Exact Mass":121.92401006,"Molecular Formula":"FKO2S","Molecular Weight":122.16,"Monoisotopic Mass":121.92401006,Charge:0,"Easy Name":"Potassium sulfurofluoridoite","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1K1O2S1"},23714925:{PUBCHEM:{CID:"23714925","Compound Complexity":65.6,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Potassium;acetic acid;acetate","IUPAC Name CAS-like Style":"Potassium;acetic acid;acetate","IUPAC Name Markup":"Potassium;acetic acid;acetate","IUPAC Name Preferred":"Potassium;acetic acid;acetate","IUPAC Name Systematic":"Potassium;ethanoic acid;ethanoate","IUPAC Name Traditional":"Potassium;acetic acid;acetate",InChI:"1S/2C2H4O2.K/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1",InChIKey:"FHUOTRMCFQTSOA-UHFFFAOYSA-M","Exact Mass":157.99814019,"Molecular Formula":"C4H7KO4","Molecular Weight":158.19,"Monoisotopic Mass":157.99814019,Charge:0,"Easy Name":"Potassium hydrogen diacetate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"C4H7K1O4"},24728635:{PUBCHEM:{CID:"24728635","Compound Complexity":204,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"2-(2,5-dimethoxy-4-propylsulfanyl-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-[2,5-dimethoxy-4-(propylthio)phenyl]ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxy-4-propylsulfanyl-phenyl)ethanamine","IUPAC Name Traditional":"2-[2,5-dimethoxy-4-(propylthio)phenyl]ethylamine",InChI:"1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3",InChIKey:"OLEVEPDJOFPJTF-UHFFFAOYSA-N","Log P":2.6,"Exact Mass":255.1293001,"Molecular Formula":"C13H21NO2S","Molecular Weight":255.38,"Monoisotopic Mass":255.1293001,Charge:0,"Easy Name":"2C-T-7","Easy Category":"Phenethylamines"},HSDB:{"Color And Form":{Value:"2C-T-7 is typically available in powder or tablet form, but may also be found in capsules or liquid form."},Solubility:{Value:"In water, 524.2 mg/L at 25 °C (est)"},Uses:{Value:"... no therapeutic value or industrial use."},"Vapor Pressure":{Value:"1.15X10-5 mm Hg at 25 °C (est)"}},ReducedFormula:"C13H21N1O2S1"},24729233:{PUBCHEM:{CID:"24729233","Compound Complexity":175,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-(4-ethyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Markup":"2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-ethyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-(4-ethyl-2,5-dimethoxy-phenyl)ethylamine",InChI:"1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3",InChIKey:"VDRGNAMREYBIHA-UHFFFAOYSA-N","Log P":2.4,"Exact Mass":209.14157886,"Molecular Formula":"C12H19NO2","Molecular Weight":209.28,"Monoisotopic Mass":209.14157886,Charge:0,"Easy Name":"2C-E","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12H19N1O2"},24802175:{PUBCHEM:{CID:"24802175","Compound Complexity":145,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(2S)-2-aminopentanedioic acid;ammonia","IUPAC Name CAS-like Style":"(2S)-2-aminopentanedioic acid;ammonia","IUPAC Name Markup":"(2S)-2-aminopentanedioic acid;azane","IUPAC Name Preferred":"(2S)-2-aminopentanedioic acid;azane","IUPAC Name Systematic":"Azane;(2S)-2-azanylpentanedioic acid","IUPAC Name Traditional":"(2S)-2-aminoglutaric acid;ammonia",InChI:"1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1",InChIKey:"PHKGGXPMPXXISP-DFWYDOINSA-N","Exact Mass":164.07970687,"Molecular Formula":"C5H12N2O4","Molecular Weight":164.16,"Monoisotopic Mass":164.07970687,Charge:0,"Easy Name":"L-Glutamic acid, monoammonium salt","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C5H12N2O4"},24839550:{PUBCHEM:{CID:"24839550","Compound Complexity":264,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"N-allyl-N-[2-(1H-indol-3-yl)ethyl]prop-2-en-1-amine","IUPAC Name CAS-like Style":"N-[2-(1H-indol-3-yl)ethyl]-N-prop-2-enyl-2-propen-1-amine","IUPAC Name Markup":"N-[2-(1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine","IUPAC Name Preferred":"N-[2-(1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine","IUPAC Name Systematic":"N-[2-(1H-indol-3-yl)ethyl]-N-prop-2-enyl-prop-2-en-1-amine","IUPAC Name Traditional":"Diallyl-[2-(1H-indol-3-yl)ethyl]amine",InChI:"1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2",InChIKey:"LQEATNFJCMVKAC-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":240.16264865,"Molecular Formula":"C16H20N2","Molecular Weight":240.34,"Monoisotopic Mass":240.16264865,Charge:0,"Easy Name":"DALT","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C16H20N2"},24846069:{PUBCHEM:{CID:"24846069","Compound Complexity":118,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":4,"IUPAC Name Allowed":"Disodium;[oxido(oxoboranyloxy)boranyl]oxy-oxoboranyloxy-borinate","IUPAC Name CAS-like Style":"Disodium;[oxido(oxoboranyloxy)boranyl]oxy-oxoboranyloxyborinate","IUPAC Name Markup":"Disodium;[oxido(oxoboranyloxy)boranyl]oxy-oxoboranyloxyborinate","IUPAC Name Preferred":"Disodium;[oxido(oxoboranyloxy)boranyl]oxy-oxoboranyloxyborinate","IUPAC Name Systematic":"Disodium;[oxidanidyl(oxidanylideneboranyloxy)boranyl]oxy-oxidanylideneboranyloxy-borinate","IUPAC Name Traditional":"Disodium;ketoboranyloxy-[ketoboranyloxy(oxido)boranyl]oxy-borinate",InChI:"1S/B4O7.2Na/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1",InChIKey:"RPAYJVFLNVKVRS-UHFFFAOYSA-N","Exact Mass":201.9811616,"Molecular Formula":"B4Na2O7","Molecular Weight":201.2,"Monoisotopic Mass":201.9811616,Charge:0,"Easy Name":"Antipyonin","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"B4Na2O7"},24846181:{PUBCHEM:{CID:"24846181","Compound Complexity":1330,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":6,"Rotatable Bond":8,"IUPAC Name Allowed":"(14R)-5,14-dihydroxy-3-[(2R,4R,6R)-4-methoxy-6-methyl-5-[(1S,2S,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","IUPAC Name CAS-like Style":"(14R)-5,14-dihydroxy-3-[[(2R,4R,6R)-4-methoxy-6-methyl-5-[(1S,2S,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-2-oxanyl]oxy]-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde","IUPAC Name Markup":"(14R)-5,14-dihydroxy-3-[(2R,4R,6R)-4-methoxy-6-methyl-5-[(1S,2S,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","IUPAC Name Preferred":"(14R)-5,14-dihydroxy-3-[(2R,4R,6R)-4-methoxy-6-methyl-5-[(1S,2S,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","IUPAC Name Systematic":"(14R)-3-[(2R,4R,6R)-5-[(1S,2S,3R,4S,5S)-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","IUPAC Name Traditional":"(14R)-5,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-3-[(2R,4R,6R)-4-methoxy-6-methyl-5-[(1S,2S,3R,4S,5S)-2,3,4-trihydroxy-5-methylol-cyclohexoxy]tetrahydropyran-2-yl]oxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",InChI:"1S/C37H56O13/c1-19-33(50-26-12-20(16-38)30(41)32(43)31(26)42)27(46-3)14-29(48-19)49-22-4-9-35(18-39)24-5-8-34(2)23(21-13-28(40)47-17-21)7-11-37(34,45)25(24)6-10-36(35,44)15-22/h13,18-20,22-27,29-33,38,41-45H,4-12,14-17H2,1-3H3/t19-,20+,22?,23?,24?,25?,26+,27-,29+,30+,31-,32-,33?,34?,35?,36?,37-/m1/s1",InChIKey:"ICLVTBHPYDRXBN-MAXQWQMNSA-N","Log P":-.2,"Exact Mass":708.37209186,"Molecular Formula":"C37H56O13","Molecular Weight":708.8,"Monoisotopic Mass":708.37209186,Charge:0,"Easy Name":"K-Strophanthin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C37H56O13"},24884258:{PUBCHEM:{CID:"24884258","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Chromous;difluoride","IUPAC Name CAS-like Style":"Chromium(2+);difluoride","IUPAC Name Markup":"Chromium(2+);difluoride","IUPAC Name Preferred":"Chromium(2+);difluoride","IUPAC Name Systematic":"Chromium(2+);difluoride","IUPAC Name Traditional":"Chromous;difluoride",InChI:"1S/Cr.2FH/h;2*1H/q+2;;/p-2",InChIKey:"RNFYGEKNFJULJY-UHFFFAOYSA-L","Exact Mass":89.937311,"Molecular Formula":"CrF2","Molecular Weight":89.993,"Monoisotopic Mass":89.937311,Charge:0,"Easy Name":"Chromium (II) fluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cr1F2"},24978524:{PUBCHEM:{CID:"24978524","Compound Complexity":385,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":12,"Rotatable Bond":10,"IUPAC Name Allowed":"Iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid","IUPAC Name CAS-like Style":"Iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid","IUPAC Name Markup":"Iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid","IUPAC Name Preferred":"Iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid","IUPAC Name Systematic":"Iron;(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid","IUPAC Name Traditional":"Iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",InChI:"1S/2C6H12O7.Fe/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/t2*2-,3-,4+,5-;/m11./s1",InChIKey:"QDUZQOIJXPPTLY-IYEMJOQQSA-N","Exact Mass":448.051541,"Molecular Formula":"C12H24FeO14","Molecular Weight":448.16,"Monoisotopic Mass":448.051541,Charge:0,"Easy Name":"Iron (II) gluconate","Easy Category":"Organic salt"},HSDB:{"Color And Form":{Value:"The color of /ferrous gluconate/ solution depends on pH; they are light yellow at pH 2, brown at pH 4.5, and green at pH 7. The iron rapidly oxidizes at higher pH."},Solubility:{Value:"Soluble in glycerin"},Uses:{Value:"Nutrient or dietary supplement; trace mineral added to animal feed"}},ReducedFormula:"C12Fe1H24O14"},25113245:{PUBCHEM:{CID:"25113245","Compound Complexity":127,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;barium(2+);hexacyanide","IUPAC Name CAS-like Style":"Barium(2+);iron(2+);hexacyanide","IUPAC Name Markup":"Barium(2+);iron(2+);hexacyanide","IUPAC Name Preferred":"Barium(2+);iron(2+);hexacyanide","IUPAC Name Systematic":"Barium(2+);iron(2+);hexacyanide","IUPAC Name Traditional":"Ferrous;barium(2+);hexacyanide",InChI:"1S/6CN.2Ba.Fe/c6*1-2;;;/q6*-1;3*+2",InChIKey:"NUZIUQUIUFXLAH-UHFFFAOYSA-N","Exact Mass":487.763874,"Molecular Formula":"C6Ba2FeN6","Molecular Weight":486.6,"Monoisotopic Mass":487.763874,Charge:0,"Easy Name":"Barium ferrocyanide","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Ba2C6Fe1N6"},25137889:{PUBCHEM:{CID:"25137889","Compound Complexity":19.1,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Sodium;tetrabromogold(1-)","IUPAC Name CAS-like Style":"Sodium;tetrabromogold(1-)","IUPAC Name Markup":"Sodium;tetrabromogold(1-)","IUPAC Name Preferred":"Sodium;tetrabromogold(1-)","IUPAC Name Systematic":"Sodium;tetrakis(bromanyl)gold(1-)","IUPAC Name Traditional":"Sodium;tetrabromogold(1-)",InChI:"1S/Au.4BrH.Na/h;4*1H;/q+3;;;;;+1/p-4",InChIKey:"PMPPMRNISYJZFW-UHFFFAOYSA-J","Exact Mass":539.62559,"Molecular Formula":"AuBr4Na","Molecular Weight":539.57,"Monoisotopic Mass":535.62969,Charge:0,"Easy Name":"Sodium tetrabromoaurate (1-)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Au1Br4Na1"},25147458:{PUBCHEM:{CID:"25147458","Compound Complexity":6.9,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/2As.3Zn",InChIKey:"RHKSESDHCKYTHI-UHFFFAOYSA-N","Exact Mass":343.62751,"Molecular Formula":"As2Zn3","Molecular Weight":346,"Monoisotopic Mass":341.63061,Charge:0,"Easy Name":"Zinc arsenide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"As2Zn3"},25210775:{PUBCHEM:{CID:"25210775","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(3+);triiodide","IUPAC Name CAS-like Style":"Europium(3+);triiodide","IUPAC Name Markup":"Europium(3+);triiodide","IUPAC Name Preferred":"Europium(3+);triiodide","IUPAC Name Systematic":"Europium(3+);triiodide","IUPAC Name Traditional":"Europium(3+);triiodide",InChI:"1S/Eu.3HI/h;3*1H/q+3;;;/p-3",InChIKey:"OEGMUYNEEQNVBV-UHFFFAOYSA-K","Exact Mass":533.6347,"Molecular Formula":"EuI3","Molecular Weight":532.68,"Monoisotopic Mass":533.6347,Charge:0,"Easy Name":"Europium (III) iodide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Eu1I3"},25241629:{PUBCHEM:{CID:"25241629","Compound Complexity":98.1,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"Cycloprop-2-ene-1-carboxylic acid","IUPAC Name CAS-like Style":"1-cycloprop-2-enecarboxylic acid","IUPAC Name Markup":"Cycloprop-2-ene-1-carboxylic acid","IUPAC Name Preferred":"Cycloprop-2-ene-1-carboxylic acid","IUPAC Name Systematic":"Cycloprop-2-ene-1-carboxylic acid","IUPAC Name Traditional":"Cycloprop-2-ene-1-carboxylic acid",InChI:"1S/C4H4O2/c5-4(6)3-1-2-3/h1-3H,(H,5,6)",InChIKey:"DBWAQSJZNKRLLE-UHFFFAOYSA-N","Log P":.3,"Exact Mass":84.021129368,"Molecular Formula":"C4H4O2","Molecular Weight":84.07,"Monoisotopic Mass":84.021129368,Charge:0,"Easy Name":"Cycloprop-2-ene carboxylic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C4H4O2"},25245021:{PUBCHEM:{CID:"25245021","Compound Complexity":312,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,6S,7S)-8-isopropyl-1,3-dimethyl-tricyclo[4.4.0.02,7]dec-3-ene","IUPAC Name CAS-like Style":"(1R,6S,7S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene","IUPAC Name Markup":"(1R,6S,7S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene","IUPAC Name Preferred":"(1R,6S,7S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene","IUPAC Name Systematic":"(1R,6S,7S)-1,3-dimethyl-8-propan-2-yl-tricyclo[4.4.0.02,7]dec-3-ene","IUPAC Name Traditional":"(1R,6S,7S)-8-isopropyl-1,3-dimethyl-tricyclo[4.4.0.02,7]dec-3-ene",InChI:"1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12-,13-,14?,15+/m0/s1",InChIKey:"VLXDPFLIRFYIME-PLWLXLEKSA-N","Log P":4.5,"Exact Mass":204.18780077,"Molecular Formula":"C15H24","Molecular Weight":204.35,"Monoisotopic Mass":204.18780077,Charge:0,"Easy Name":" (-)-α-Copaene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C15H24"},25245230:{PUBCHEM:{CID:"25245230","Compound Complexity":687,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"(3S,5S,10S,13R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name CAS-like Style":"(3S,5S,10S,13R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Markup":"(3S,5S,10S,13R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Preferred":"(3S,5S,10S,13R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Systematic":"(3S,5S,10S,13R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","IUPAC Name Traditional":"(3S,5S,10S,13R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",InChI:"1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25?,26?,27?,28+,29-/m1/s1",InChIKey:"MCWVPSBQQXUCTB-PNOHOJSCSA-N","Log P":8.6,"Exact Mass":412.37051617,"Molecular Formula":"C29H48O","Molecular Weight":412.7,"Monoisotopic Mass":412.37051617,Charge:0,"Easy Name":"Avenasterol","Easy Category":"Steroid"},HSDB:{},ReducedFormula:"C29H48O1"},25265910:{PUBCHEM:{CID:"25265910","Compound Complexity":429,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":2,"Rotatable Bond":8,"IUPAC Name Allowed":"(8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol","IUPAC Name CAS-like Style":"(8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol","IUPAC Name Markup":"(8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol","IUPAC Name Preferred":"(8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol","IUPAC Name Systematic":"(8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol","IUPAC Name Traditional":"(8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol",InChI:"1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1",InChIKey:"FQVNSJQTSOVRKZ-JNRDBWBESA-N","Log P":3.3,"Exact Mass":258.16197995,"Molecular Formula":"C17H22O2","Molecular Weight":258.35,"Monoisotopic Mass":258.16197995,Charge:0,"Easy Name":"Cicutoxin","Easy Category":"Alcohol"},HSDB:{"Color And Form":{Value:"Prisms from ether + petroleum ether /(-)-form/; crystals from ether + petroleum ether /(+-)-form/"},"Melting Point":{Value:"54 °C /(-)-form/; 67 °C /(+-)-form/"},Solubility:{Value:"In water, 2.8 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"3.34X10-8 mm Hg at 25 °C (est)"}},ReducedFormula:"C17H22O2"},29979100:{PUBCHEM:{CID:"29979100","Compound Complexity":168,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(4-chloro-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(4-chloro-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Markup":"2-(4-chloro-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-chloro-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-(4-chloro-2,5-dimethoxy-phenyl)ethylamine",InChI:"1S/C10H14ClNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3",InChIKey:"CGKQFIWIPSIVAS-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":215.0713064,"Molecular Formula":"C10H14ClNO2","Molecular Weight":215.67,"Monoisotopic Mass":215.0713064,Charge:0,"Easy Name":"2C-C","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C10Cl1H14N1O2"},42607510:{PUBCHEM:{CID:"42607510","Compound Complexity":614,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":5,"Rotatable Bond":4,"IUPAC Name Allowed":"(6aS,11aS)-10-[(2S)-2,3-dihydroxy-3-methyl-butyl]-9-methoxy-6H-benzofuro[3,2-c]chromene-3,6a,11a-triol","IUPAC Name CAS-like Style":"(6aS,11aS)-10-[(2S)-2,3-dihydroxy-3-methylbutyl]-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3,6a,11a-triol","IUPAC Name Markup":"(6aS,11aS)-10-[(2S)-2,3-dihydroxy-3-methylbutyl]-9-methoxy-6H-[1]benzofuro[3,2-c]chromene-3,6a,11a-triol","IUPAC Name Preferred":"(6aS,11aS)-10-[(2S)-2,3-dihydroxy-3-methylbutyl]-9-methoxy-6H-[1]benzofuro[3,2-c]chromene-3,6a,11a-triol","IUPAC Name Systematic":"(6aS,11aS)-9-methoxy-10-[(2S)-3-methyl-2,3-bis(oxidanyl)butyl]-6H-[1]benzofuro[3,2-c]chromene-3,6a,11a-triol","IUPAC Name Traditional":"(6aS,11aS)-10-[(2S)-2,3-dihydroxy-3-methyl-butyl]-9-methoxy-6H-benzofuro[3,2-c]chromene-3,6a,11a-triol",InChI:"1S/C21H24O8/c1-19(2,24)17(23)9-12-15(27-3)7-6-14-18(12)29-21(26)13-5-4-11(22)8-16(13)28-10-20(14,21)25/h4-8,17,22-26H,9-10H2,1-3H3/t17-,20+,21-/m0/s1",InChIKey:"VYSUFMKSPDVDIS-WMQCIHAUSA-N","Log P":.3,"Exact Mass":404.14711773,"Molecular Formula":"C21H24O8","Molecular Weight":404.4,"Monoisotopic Mass":404.14711773,Charge:0,"Easy Name":"Orientanol A","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C21H24O8"},42607511:{PUBCHEM:{CID:"42607511","Compound Complexity":589,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"(6aS,11aS)-3-methoxy-2-(3-methylbut-2-enyl)-6H-benzofuro[3,2-c]chromene-6a,9,11a-triol","IUPAC Name CAS-like Style":"(6aS,11aS)-3-methoxy-2-(3-methylbut-2-enyl)-6H-benzofuro[3,2-c][1]benzopyran-6a,9,11a-triol","IUPAC Name Markup":"(6aS,11aS)-3-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-6a,9,11a-triol","IUPAC Name Preferred":"(6aS,11aS)-3-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-6a,9,11a-triol","IUPAC Name Systematic":"(6aS,11aS)-3-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-6a,9,11a-triol","IUPAC Name Traditional":"(6aS,11aS)-3-methoxy-2-(3-methylbut-2-enyl)-6H-benzofuro[3,2-c]chromene-6a,9,11a-triol",InChI:"1S/C21H22O6/c1-12(2)4-5-13-8-16-18(10-17(13)25-3)26-11-20(23)15-7-6-14(22)9-19(15)27-21(16,20)24/h4,6-10,22-24H,5,11H2,1-3H3/t20-,21+/m1/s1",InChIKey:"ISOLZQOIKIVKTK-RTWAWAEBSA-N","Log P":2.7,"Exact Mass":370.14163843,"Molecular Formula":"C21H22O6","Molecular Weight":370.4,"Monoisotopic Mass":370.14163843,Charge:0,"Easy Name":"Orientanol B","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C21H22O6"},42607512:{PUBCHEM:{CID:"42607512","Compound Complexity":772,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"(2S,10S)-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-2,6,10-triol","IUPAC Name CAS-like Style":"(2S,10S)-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]heneicosa-1(13),4(9),5,7,14,18,20-heptaene-2,6,10-triol","IUPAC Name Markup":"(2S,10S)-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-2,6,10-triol","IUPAC Name Preferred":"(2S,10S)-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-2,6,10-triol","IUPAC Name Systematic":"(2S,10S)-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-2,6,10-triol","IUPAC Name Traditional":"(2S,10S)-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]heneicosa-1(13),4(9),5,7,14,18,20-heptaene-2,6,10-triol",InChI:"1S/C25H26O6/c1-14(2)5-6-16-19(26)8-7-17-22(16)31-25(28)18-11-15-9-10-23(3,4)30-20(15)12-21(18)29-13-24(17,25)27/h5,7-12,26-28H,6,13H2,1-4H3/t24-,25+/m1/s1",InChIKey:"MWXSRUJUWMLCJD-RPBOFIJWSA-N","Log P":3.6,"Exact Mass":422.17293856,"Molecular Formula":"C25H26O6","Molecular Weight":422.5,"Monoisotopic Mass":422.17293856,Charge:0,"Easy Name":"Orientanol C","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C25H26O6"},42608359:{PUBCHEM:{CID:"42608359","Compound Complexity":1e3,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":6,"Rotatable Bond":31,"IUPAC Name Allowed":"(2R)-2-[2-[(1S,3S,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-12-hydroxy-3-methyl-tetradecoxy]-2-oxo-ethyl]butanedioic acid","IUPAC Name CAS-like Style":"(2R)-2-[2-[(5R,6R,7S,9S,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxy-1-oxobutoxy]-18-hydroxy-5,9-dimethyleicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Markup":"(2R)-2-[2-[(5R,6R,7S,9S,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Preferred":"(2R)-2-[2-[(5R,6R,7S,9S,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","IUPAC Name Systematic":"(2R)-2-[2-[(5R,6R,7S,9S,18S,19S)-19-azanyl-6-[(3R)-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-18-oxidanyl-icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid","IUPAC Name Traditional":"(2R)-2-[2-[(1S,3S,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-12-hydroxy-3-methyl-tetradecoxy]-2-keto-ethyl]succinic acid",InChI:"1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24+,25+,26-,27-,32+/m0/s1",InChIKey:"WYYKRDVIBOEORL-JLCKPESSSA-N","Log P":2.5,"Exact Mass":689.39864096,"Molecular Formula":"C34H59NO13","Molecular Weight":689.8,"Monoisotopic Mass":689.39864096,Charge:0,"Easy Name":"Fumonisin B4","Easy Category":"Amine"},HSDB:{},ReducedFormula:"C34H59N1O13"},44135711:{PUBCHEM:{CID:"44135711","Compound Complexity":732,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":1,"Rotatable Bond":10,"IUPAC Name Allowed":"Disodium;3-(2-hydroxy-3-methoxy-phenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate","IUPAC Name CAS-like Style":"Disodium;3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]-1-propanesulfonate","IUPAC Name Markup":"Disodium;3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate","IUPAC Name Preferred":"Disodium;3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate","IUPAC Name Systematic":"Disodium;3-(3-methoxy-2-oxidanyl-phenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate","IUPAC Name Traditional":"Disodium;3-(2-hydroxy-3-methoxy-phenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate",InChI:"1S/C20H26O10S2.2Na/c1-28-18-7-3-6-15(20(18)21)12-16(13-32(25,26)27)30-17-9-8-14(11-19(17)29-2)5-4-10-31(22,23)24;;/h3,6-9,11,16,21H,4-5,10,12-13H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",InChIKey:"YDEXUEFDPVHGHE-UHFFFAOYSA-L","Exact Mass":534.06062788,"Molecular Formula":"C20H24Na2O10S2","Molecular Weight":534.5,"Monoisotopic Mass":534.06062788,Charge:0,"Easy Name":"Disodium 3- (2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4- (3-sulfonatopropyl)phenoxy]-1-propanesulfonate","Easy Category":"Lignans"},HSDB:{"Color And Form":{Value:"tan, free-flowing spray-dried powder"},Uses:{Value:"dispersant, emulsion stabilizer, chelating agent"}},ReducedFormula:"C20H24Na2O10S2"},44135758:{PUBCHEM:{CID:"44135758","Compound Complexity":545,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"Sodium;3-[(4-nitrophenyl)hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate","IUPAC Name CAS-like Style":"Sodium;3-[(4-nitrophenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate","IUPAC Name Markup":"Sodium;3-[(4-nitrophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate","IUPAC Name Preferred":"Sodium;3-[(4-nitrophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate","IUPAC Name Systematic":"Sodium;3-[(4-nitrophenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate","IUPAC Name Traditional":"Sodium;6-keto-3-[(4-nitrophenyl)hydrazono]cyclohexa-1,4-diene-1-carboxylate",InChI:"1S/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,14H,(H,18,19);/q;+1/p-1",InChIKey:"HKSANXZSKDUDBD-UHFFFAOYSA-M","Exact Mass":309.03616465,"Molecular Formula":"C13H8N3NaO5","Molecular Weight":309.21,"Monoisotopic Mass":309.03616465,Charge:0,"Easy Name":"Alizarine Yellow R","Easy Category":"PH indicator"},HSDB:{},ReducedFormula:"C13H8N3Na1O5"},44135907:{PUBCHEM:{CID:"44135907","Compound Complexity":49.8,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disilver;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name CAS-like Style":"Disilver;fluoro-dioxido-oxophosphorane","IUPAC Name Markup":"Disilver;fluoro-dioxido-oxo-λ5-phosphane","IUPAC Name Preferred":"Disilver;fluoro-dioxido-oxo-lambda5-phosphane","IUPAC Name Systematic":"Disilver;fluoranyl-bis(oxidanidyl)-oxidanylidene-lambda5-phosphane","IUPAC Name Traditional":"Disilver;fluoro-keto-dioxido-phosphorane",InChI:"1S/2Ag.FH2O3P/c;;1-5(2,3)4/h;;(H2,2,3,4)/q2*+1;/p-2",InChIKey:"BKSDOVPDINORPO-UHFFFAOYSA-L","Exact Mass":313.76676,"Molecular Formula":"Ag2FO3P","Molecular Weight":313.707,"Monoisotopic Mass":311.76709,Charge:0,"Easy Name":"Disilver Fluorophosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Ag2F1O3P1"},44144539:{PUBCHEM:{CID:"44144539","Compound Complexity":916,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"(6S,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7,7,12,16-tetramethyl-pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol","IUPAC Name CAS-like Style":"(6S,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol","IUPAC Name Markup":"(6S,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol","IUPAC Name Preferred":"(6S,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol","IUPAC Name Systematic":"(6S,9S,11S,12S,14S,15R,16R)-7,7,12,16-tetramethyl-15-[(2S,5R)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol","IUPAC Name Traditional":"(6S,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7,7,12,16-tetramethyl-pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol",InChI:"1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21+,22?,23-,26+,27-,28-,29?,30?/m0/s1",InChIKey:"WENNXORDXYGDTP-IEZYWYHUSA-N","Log P":4.4,"Exact Mass":490.36582471,"Molecular Formula":"C30H50O5","Molecular Weight":490.7,"Monoisotopic Mass":490.36582471,Charge:0,"Easy Name":"Cycloastragenol","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H50O5"},44144564:{PUBCHEM:{CID:"44144564","Compound Complexity":155,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":3,"IUPAC Name Allowed":"Sodium;gold(1+);2-hydroxy-3-sulfanyl-propane-1-sulfonic acid","IUPAC Name CAS-like Style":"Sodium;gold(1+);2-hydroxy-3-mercapto-1-propanesulfonic acid","IUPAC Name Markup":"Sodium;gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonic acid","IUPAC Name Preferred":"Sodium;gold(1+);2-hydroxy-3-sulfanylpropane-1-sulfonic acid","IUPAC Name Systematic":"Sodium;gold(1+);2-oxidanyl-3-sulfanyl-propane-1-sulfonic acid","IUPAC Name Traditional":"Sodium;gold(1+);2-hydroxy-3-mercapto-propane-1-sulfonic acid",InChI:"1S/C3H8O4S2.Au.Na/c4-3(1-8)2-9(5,6)7;;/h3-4,8H,1-2H2,(H,5,6,7);;/q;2*+1",InChIKey:"KBWWFTIQBJUOQR-UHFFFAOYSA-N","Exact Mass":391.94274,"Molecular Formula":"C3H8AuNaO4S2+2","Molecular Weight":392.2,"Monoisotopic Mass":391.94274,Charge:2,"Easy Name":"Aurotioprol","Easy Category":"Pharmaceutical drug"},HSDB:{},ReducedFormula:"+2Au1C3H8Na1O4S2"},44145458:{PUBCHEM:{CID:"44145458","Compound Complexity":0,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Antimony(3+);oxygen(2-);dibromide","IUPAC Name CAS-like Style":"Antimony(3+);oxygen(2-);dibromide","IUPAC Name Markup":"Antimony(3+);oxygen(2-);dibromide","IUPAC Name Preferred":"Antimony(3+);oxygen(2-);dibromide","IUPAC Name Systematic":"Antimony(3+);oxygen(2-);dibromide","IUPAC Name Traditional":"Antimony(3+);oxygen(2-);dibromide",InChI:"1S/2BrH.5O.4Sb/h2*1H;;;;;;;;;/q;;5*-2;4*+3/p-2",InChIKey:"YNOMPXLTSORNQK-UHFFFAOYSA-L","Exact Mass":727.42525,"Molecular Formula":"Br2O5Sb4","Molecular Weight":726.85,"Monoisotopic Mass":721.4265,Charge:0,"Easy Name":"Antimony bromide oxide","Easy Category":"Oxohalides"},HSDB:{},ReducedFormula:"Br2O5Sb4"},44147369:{PUBCHEM:{CID:"44147369","Compound Complexity":0,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Diammonium;rhenium;hexachloride","IUPAC Name CAS-like Style":"Diammonium;rhenium;hexachloride","IUPAC Name Markup":"Diazanium;rhenium;hexachloride","IUPAC Name Preferred":"Diazanium;rhenium;hexachloride","IUPAC Name Systematic":"Diazanium;rhenium;hexachloride","IUPAC Name Traditional":"Diammonium;rhenium;hexachloride",InChI:"1S/6ClH.2H3N.Re/h6*1H;2*1H3;/p-4",InChIKey:"QJVFXVUYSUNHDO-UHFFFAOYSA-J","Exact Mass":434.834667,"Molecular Formula":"Cl6H8N2Re-4","Molecular Weight":435,"Monoisotopic Mass":432.837617,Charge:-4,"Easy Name":"Ammonium hexachlororhenate (IV)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-4Cl6H8N2Re1"},44147746:{PUBCHEM:{CID:"44147746","Compound Complexity":46.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Ammonia;phosphenic acid","IUPAC Name CAS-like Style":"Ammonia;phosphenic acid","IUPAC Name Markup":"Azane;phosphenic acid","IUPAC Name Preferred":"Azane;phosphenic acid","IUPAC Name Systematic":"Azane;phosphenic acid","IUPAC Name Traditional":"Ammonia;phosphenic acid",InChI:"1S/H3N.HO3P/c;1-4(2)3/h1H3;(H,1,2,3)",InChIKey:"PYCBFXMWPVRTCC-UHFFFAOYSA-N","Exact Mass":96.992879991,"Molecular Formula":"H4NO3P","Molecular Weight":97.011,"Monoisotopic Mass":96.992879991,Charge:0,"Easy Name":"Ammonium metaphosphate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H4N1O3P1"},44148443:{PUBCHEM:{CID:"44148443","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cesium;hexachloroplatinum(2-)","IUPAC Name CAS-like Style":"Cesium;hexachloroplatinum(2-)","IUPAC Name Markup":"Cesium;hexachloroplatinum(2-)","IUPAC Name Preferred":"Cesium;hexachloroplatinum(2-)","IUPAC Name Systematic":"Cesium;hexakis(chloranyl)platinum(2-)","IUPAC Name Traditional":"Cesium;hexachloroplatinum(2-)",InChI:"1S/6ClH.Cs.Pt/h6*1H;;/q;;;;;;+1;+4/p-6",InChIKey:"QLCZDNHRRZXUPE-UHFFFAOYSA-H","Exact Mass":539.680412,"Molecular Formula":"Cl6CsPt-","Molecular Weight":540.7,"Monoisotopic Mass":537.683362,Charge:-1,"Easy Name":"Cesium hexachloroplatinate (IV)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-1Cl6Cs1Pt1"},44148971:{PUBCHEM:{CID:"44148971","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferric;oxygen(2-);vanadium","IUPAC Name CAS-like Style":"Iron(3+);oxygen(2-);vanadium","IUPAC Name Markup":"Iron(3+);oxygen(2-);vanadium","IUPAC Name Preferred":"Iron(3+);oxygen(2-);vanadium","IUPAC Name Systematic":"Iron(3+);oxygen(2-);vanadium","IUPAC Name Traditional":"Ferric;oxygen(2-);vanadium",InChI:"1S/Fe.4O.V/q+3;4*-2;",InChIKey:"QCGKJLSEKPPOHW-UHFFFAOYSA-N","Exact Mass":170.858551,"Molecular Formula":"FeO4V-5","Molecular Weight":170.78,"Monoisotopic Mass":170.858551,Charge:-5,"Easy Name":"Iron (III) orthovanadate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"-5Fe1O4V1"},44149364:{PUBCHEM:{CID:"44149364","Compound Complexity":24.8,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Plumbous;hydrogen carbonate","IUPAC Name CAS-like Style":"Hydrogen carbonate;lead(2+)","IUPAC Name Markup":"Hydrogen carbonate;lead(2+)","IUPAC Name Preferred":"Hydrogen carbonate;lead(2+)","IUPAC Name Systematic":"Hydrogen carbonate;lead(2+)","IUPAC Name Traditional":"Plumbous;dibicarbonate",InChI:"1S/2CH2O3.Pb/c2*2-1(3)4;/h2*(H2,2,3,4);/q;;+2/p-2",InChIKey:"SLOUVJLCTABERO-UHFFFAOYSA-L","Exact Mass":329.96179,"Molecular Formula":"C2H2O6Pb","Molecular Weight":329,"Monoisotopic Mass":329.96179,Charge:0,"Easy Name":"Lead (II) Hydrogen Carbonate","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"C2H2O6Pb1"},44150680:{PUBCHEM:{CID:"44150680","Compound Complexity":191,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"N-ethyl-N-(m-tolyl)propanamide","IUPAC Name CAS-like Style":"N-ethyl-N-(3-methylphenyl)propanamide","IUPAC Name Markup":"N-ethyl-N-(3-methylphenyl)propanamide","IUPAC Name Preferred":"N-ethyl-N-(3-methylphenyl)propanamide","IUPAC Name Systematic":"N-ethyl-N-(3-methylphenyl)propanamide","IUPAC Name Traditional":"N-ethyl-N-(m-tolyl)propionamide",InChI:"1S/C12H17NO/c1-4-12(14)13(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",InChIKey:"DSYVYGLBPDTBKH-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":191.13101417,"Molecular Formula":"C12H17NO","Molecular Weight":191.27,"Monoisotopic Mass":191.13101417,Charge:0,"Easy Name":"N-Ethyl-N- (3-methylphenyl)propanamide","Easy Category":"Amide"},HSDB:{},ReducedFormula:"C12H17N1O1"},44151190:{PUBCHEM:{CID:"44151190","Compound Complexity":62.7,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;hexachloroosmium(2-)","IUPAC Name CAS-like Style":"Disodium;hexachloroosmium(2-)","IUPAC Name Markup":"Disodium;hexachloroosmium(2-)","IUPAC Name Preferred":"Disodium;hexachloroosmium(2-)","IUPAC Name Systematic":"Disodium;hexakis(chloranyl)osmium(2-)","IUPAC Name Traditional":"Disodium;hexachloroosmium(2-)",InChI:"1S/6ClH.2Na.Os/h6*1H;;;/q;;;;;;2*+1;+4/p-6",InChIKey:"PVTVRPSPEDISMV-UHFFFAOYSA-H","Exact Mass":449.75118,"Molecular Formula":"Cl6Na2Os","Molecular Weight":448.9,"Monoisotopic Mass":447.75413,Charge:0,"Easy Name":"Disodium Hexachloroosmate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Cl6Na2Os1"},44151635:{PUBCHEM:{CID:"44151635","Compound Complexity":0,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Antimony(3+);oxygen(2-);dichloride","IUPAC Name CAS-like Style":"Antimony(3+);oxygen(2-);dichloride","IUPAC Name Markup":"Antimony(3+);oxygen(2-);dichloride","IUPAC Name Preferred":"Antimony(3+);oxygen(2-);dichloride","IUPAC Name Systematic":"Antimony(3+);oxygen(2-);dichloride","IUPAC Name Traditional":"Antimony(3+);oxygen(2-);dichloride",InChI:"1S/2ClH.5O.4Sb/h2*1H;;;;;;;;;/q;;5*-2;4*+3/p-2",InChIKey:"QXGIXMVRTVXTKM-UHFFFAOYSA-L","Exact Mass":637.52833,"Molecular Formula":"Cl2O5Sb4","Molecular Weight":637.94,"Monoisotopic Mass":633.5275,Charge:0,"Easy Name":"Antimony chloride oxide (Sb4Cl2O5)","Easy Category":"Oxohalides"},HSDB:{},ReducedFormula:"Cl2O5Sb4"},44227795:{PUBCHEM:{CID:"44227795","Compound Complexity":63.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,3,5-trifluorocyclohexane","IUPAC Name CAS-like Style":"1,3,5-trifluorocyclohexane","IUPAC Name Markup":"1,3,5-trifluorocyclohexane","IUPAC Name Preferred":"1,3,5-trifluorocyclohexane","IUPAC Name Systematic":"1,3,5-tris(fluoranyl)cyclohexane","IUPAC Name Traditional":"1,3,5-trifluorocyclohexane",InChI:"1S/C6H9F3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2",InChIKey:"LAHHXBKLFGXFFY-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":138.06563478,"Molecular Formula":"C6H9F3","Molecular Weight":138.13,"Monoisotopic Mass":138.06563478,Charge:0,"Easy Name":"1, 3, 5-Trifluorocyclohexane","Easy Category":"Organofluorides"},HSDB:{},ReducedFormula:"C6F3H9"},44257483:{PUBCHEM:{CID:"44257483","Compound Complexity":530,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":2,"IUPAC Name Allowed":"4-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a,9-triol","IUPAC Name CAS-like Style":"4-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c][1]benzopyran-3,6a,9-triol","IUPAC Name Markup":"4-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol","IUPAC Name Preferred":"4-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol","IUPAC Name Systematic":"4-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol","IUPAC Name Traditional":"4-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a,9-triol",InChI:"1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3",InChIKey:"NLHMQOCIFRDSNU-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":340.13107374,"Molecular Formula":"C20H20O5","Molecular Weight":340.4,"Monoisotopic Mass":340.13107374,Charge:0,"Easy Name":"Glyceollidin I","Easy Category":"Pterocarpans"},HSDB:{},ReducedFormula:"C20H20O5"},44349798:{PUBCHEM:{CID:"44349798","Compound Complexity":228,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"2-(2,5-dimethoxy-4-sec-butylsulfanyl-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-[4-(butan-2-ylthio)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Markup":"2-(4-butan-2-ylsulfanyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-butan-2-ylsulfanyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-butan-2-ylsulfanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-[2,5-dimethoxy-4-(sec-butylthio)phenyl]ethylamine",InChI:"1S/C14H23NO2S/c1-5-10(2)18-14-9-12(16-3)11(6-7-15)8-13(14)17-4/h8-10H,5-7,15H2,1-4H3",InChIKey:"KSZHVRPGICAZOA-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":269.14495016,"Molecular Formula":"C14H23NO2S","Molecular Weight":269.4,"Monoisotopic Mass":269.14495016,Charge:0,"Easy Name":"2C-T-17","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C14H23N1O2S1"},44349972:{PUBCHEM:{CID:"44349972","Compound Complexity":209,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"2-[4-(2-fluoroethylsulfanyl)-2,5-dimethoxy-phenyl]ethanamine","IUPAC Name CAS-like Style":"2-[4-(2-fluoroethylthio)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Markup":"2-[4-(2-fluoroethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Preferred":"2-[4-(2-fluoroethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Systematic":"2-[4-(2-fluoranylethylsulfanyl)-2,5-dimethoxy-phenyl]ethanamine","IUPAC Name Traditional":"2-[4-(2-fluoroethylthio)-2,5-dimethoxy-phenyl]ethylamine",InChI:"1S/C12H18FNO2S/c1-15-10-8-12(17-6-4-13)11(16-2)7-9(10)3-5-14/h7-8H,3-6,14H2,1-2H3",InChIKey:"ZBUUUKBTOCTOPW-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":259.10422816,"Molecular Formula":"C12H18FNO2S","Molecular Weight":259.34,"Monoisotopic Mass":259.10422816,Charge:0,"Easy Name":"2C-T-21","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C12F1H18N1O2S1"},44350055:{PUBCHEM:{CID:"44350055","Compound Complexity":248,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"2-[4-(cyclopropylmethylsulfanyl)-2,5-dimethoxy-phenyl]ethanamine","IUPAC Name CAS-like Style":"2-[4-(cyclopropylmethylthio)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Markup":"2-[4-(cyclopropylmethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Preferred":"2-[4-(cyclopropylmethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Systematic":"2-[4-(cyclopropylmethylsulfanyl)-2,5-dimethoxy-phenyl]ethanamine","IUPAC Name Traditional":"2-[4-(cyclopropylmethylthio)-2,5-dimethoxy-phenyl]ethylamine",InChI:"1S/C14H21NO2S/c1-16-12-8-14(18-9-10-3-4-10)13(17-2)7-11(12)5-6-15/h7-8,10H,3-6,9,15H2,1-2H3",InChIKey:"AHMSSHCYIDBVQB-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":267.1293001,"Molecular Formula":"C14H21NO2S","Molecular Weight":267.39,"Monoisotopic Mass":267.1293001,Charge:0,"Easy Name":"2C-T-8","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C14H21N1O2S1"},44350070:{PUBCHEM:{CID:"44350070","Compound Complexity":214,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"2-(4-isopropylsulfanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-[2,5-dimethoxy-4-(propan-2-ylthio)phenyl]ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxy-4-propan-2-ylsulfanylphenyl)ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxy-4-propan-2-ylsulfanylphenyl)ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxy-4-propan-2-ylsulfanyl-phenyl)ethanamine","IUPAC Name Traditional":"2-[4-(isopropylthio)-2,5-dimethoxy-phenyl]ethylamine",InChI:"1S/C13H21NO2S/c1-9(2)17-13-8-11(15-3)10(5-6-14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3",InChIKey:"HDYZSVKZKDPLDT-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":255.1293001,"Molecular Formula":"C13H21NO2S","Molecular Weight":255.38,"Monoisotopic Mass":255.1293001,Charge:0,"Easy Name":"2C-T-4","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C13H21N1O2S1"},44350080:{PUBCHEM:{CID:"44350080","Compound Complexity":187,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"2-(2,5-dimethoxy-4-propyl-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(2,5-dimethoxy-4-propylphenyl)ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxy-4-propylphenyl)ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxy-4-propylphenyl)ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxy-4-propyl-phenyl)ethanamine","IUPAC Name Traditional":"2-(2,5-dimethoxy-4-propyl-phenyl)ethylamine",InChI:"1S/C13H21NO2/c1-4-5-10-8-13(16-3)11(6-7-14)9-12(10)15-2/h8-9H,4-7,14H2,1-3H3",InChIKey:"PZJOKFZGPTVNBF-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":223.15722892,"Molecular Formula":"C13H21NO2","Molecular Weight":223.31,"Monoisotopic Mass":223.15722892,Charge:0,"Easy Name":"2C-P","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C13H21N1O2"},44350108:{PUBCHEM:{CID:"44350108","Compound Complexity":218,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"2-[2,5-dimethoxy-4-(2-methoxyethylsulfanyl)phenyl]ethanamine","IUPAC Name CAS-like Style":"2-[2,5-dimethoxy-4-(2-methoxyethylthio)phenyl]ethanamine","IUPAC Name Markup":"2-[2,5-dimethoxy-4-(2-methoxyethylsulfanyl)phenyl]ethanamine","IUPAC Name Preferred":"2-[2,5-dimethoxy-4-(2-methoxyethylsulfanyl)phenyl]ethanamine","IUPAC Name Systematic":"2-[2,5-dimethoxy-4-(2-methoxyethylsulfanyl)phenyl]ethanamine","IUPAC Name Traditional":"2-[2,5-dimethoxy-4-(2-methoxyethylthio)phenyl]ethylamine",InChI:"1S/C13H21NO3S/c1-15-6-7-18-13-9-11(16-2)10(4-5-14)8-12(13)17-3/h8-9H,4-7,14H2,1-3H3",InChIKey:"PYJLRNOGMKMRTK-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":271.12421471,"Molecular Formula":"C13H21NO3S","Molecular Weight":271.38,"Monoisotopic Mass":271.12421471,Charge:0,"Easy Name":"2C-T-13","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C13H21N1O3S1"},44350503:{PUBCHEM:{CID:"44350503","Compound Complexity":1730,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":3,"Rotatable Bond":8,"IUPAC Name Allowed":"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-3,11',13',22'-tetramethyl-2-[(1S)-1-methylpropyl]spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one","IUPAC Name CAS-like Style":"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[[(2R,4S,6S)-5-[[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-3,11',13',22'-tetramethyl-2'-spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]one","IUPAC Name Markup":"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one","IUPAC Name Preferred":"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one","IUPAC Name Systematic":"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-3,11',13',22'-tetramethyl-21',24'-bis(oxidanyl)spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one","IUPAC Name Traditional":"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-3,11',13',22'-tetramethyl-2-[(1S)-1-methylpropyl]spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one",InChI:"1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44?,45+,47+,48+/m0/s1",InChIKey:"RRZXIRBKKLTSOM-URHDDZCMSA-N","Log P":3.8,"Exact Mass":872.492207,"Molecular Formula":"C48H72O14","Molecular Weight":873.1,"Monoisotopic Mass":872.492207,Charge:0,"Easy Name":"Abamectin","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C48H72O14"},44630337:{PUBCHEM:{CID:"44630337","Compound Complexity":484,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"Tris(2,4-dimethoxyphenyl)methanol","IUPAC Name CAS-like Style":"Tris(2,4-dimethoxyphenyl)methanol","IUPAC Name Markup":"Tris(2,4-dimethoxyphenyl)methanol","IUPAC Name Preferred":"Tris(2,4-dimethoxyphenyl)methanol","IUPAC Name Systematic":"Tris(2,4-dimethoxyphenyl)methanol","IUPAC Name Traditional":"Tris(2,4-dimethoxyphenyl)methanol",InChI:"1S/C25H28O7/c1-27-16-7-10-19(22(13-16)30-4)25(26,20-11-8-17(28-2)14-23(20)31-5)21-12-9-18(29-3)15-24(21)32-6/h7-15,26H,1-6H3",InChIKey:"SBBUIJKOSQBPNN-UHFFFAOYSA-N","Log P":4,"Exact Mass":440.18350324,"Molecular Formula":"C25H28O7","Molecular Weight":440.5,"Monoisotopic Mass":440.18350324,Charge:0,"Easy Name":"Hexamethoxy Red","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C25H28O7"},44717570:{PUBCHEM:{CID:"44717570","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dimercurous;difluoride","IUPAC Name CAS-like Style":"Mercury(1+);difluoride","IUPAC Name Markup":"Mercury(1+);difluoride","IUPAC Name Preferred":"Mercury(1+);difluoride","IUPAC Name Systematic":"Mercury(1+);difluoride","IUPAC Name Traditional":"Dimercurous;difluoride",InChI:"1S/2FH.2Hg/h2*1H;;/q;;2*+1/p-2",InChIKey:"FQZUXVBMUHSNRN-UHFFFAOYSA-L","Exact Mass":439.935777,"Molecular Formula":"F2Hg2","Molecular Weight":439.18,"Monoisotopic Mass":441.93809,Charge:0,"Easy Name":"Mercury monofluoride","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F2Hg2"},44717630:{PUBCHEM:{CID:"44717630","Compound Complexity":62.7,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;hexafluorotitanium(2-)","IUPAC Name CAS-like Style":"Disodium;hexafluorotitanium(2-)","IUPAC Name Markup":"Disodium;hexafluorotitanium(2-)","IUPAC Name Preferred":"Disodium;hexafluorotitanium(2-)","IUPAC Name Systematic":"Disodium;hexakis(fluoranyl)titanium(2-)","IUPAC Name Traditional":"Disodium;hexafluorotitanium(2-)",InChI:"1S/6FH.2Na.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6",InChIKey:"HLJCWGPUCQTHFY-UHFFFAOYSA-H","Exact Mass":207.917898,"Molecular Formula":"F6Na2Ti","Molecular Weight":207.84,"Monoisotopic Mass":207.917898,Charge:0,"Easy Name":"Disodium;hexafluorotitanium (2-)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"F6Na2Ti1"},44719453:{PUBCHEM:{CID:"44719453","Compound Complexity":193,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"1-(2-methyl-1H-indol-3-yl)propan-2-amine","IUPAC Name CAS-like Style":"1-(2-methyl-1H-indol-3-yl)-2-propanamine","IUPAC Name Markup":"1-(2-methyl-1H-indol-3-yl)propan-2-amine","IUPAC Name Preferred":"1-(2-methyl-1H-indol-3-yl)propan-2-amine","IUPAC Name Systematic":"1-(2-methyl-1H-indol-3-yl)propan-2-amine","IUPAC Name Traditional":"[1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]amine",InChI:"1S/C12H16N2/c1-8(13)7-11-9(2)14-12-6-4-3-5-10(11)12/h3-6,8,14H,7,13H2,1-2H3",InChIKey:"AXZQFXRPULJFQK-UHFFFAOYSA-N","Log P":2.2,"Exact Mass":188.13134852,"Molecular Formula":"C12H16N2","Molecular Weight":188.27,"Monoisotopic Mass":188.13134852,Charge:0,"Easy Name":"2, alpha-DMT","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C12H16N2"},44719499:{PUBCHEM:{CID:"44719499","Compound Complexity":168,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"2-(4-fluoro-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(4-fluoro-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Markup":"2-(4-fluoro-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-fluoro-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-fluoranyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-(4-fluoro-2,5-dimethoxy-phenyl)ethylamine",InChI:"1S/C10H14FNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3",InChIKey:"QAVFEDRVOUKIPM-UHFFFAOYSA-N","Log P":1.6,"Exact Mass":199.10085686,"Molecular Formula":"C10H14FNO2","Molecular Weight":199.22,"Monoisotopic Mass":199.10085686,Charge:0,"Easy Name":"2C-F","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C10F1H14N1O2"},44719510:{PUBCHEM:{CID:"44719510","Compound Complexity":211,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"2-(4-isopropoxy-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxy-4-propan-2-yloxy-phenyl)ethanamine","IUPAC Name Traditional":"2-(4-isopropoxy-2,5-dimethoxy-phenyl)ethylamine",InChI:"1S/C13H21NO3/c1-9(2)17-13-8-11(15-3)10(5-6-14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3",InChIKey:"KAKXJLWAEMHHTL-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":239.15214354,"Molecular Formula":"C13H21NO3","Molecular Weight":239.31,"Monoisotopic Mass":239.15214354,Charge:0,"Easy Name":"2C-O-4","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C13H21N1O3"},44719515:{PUBCHEM:{CID:"44719515","Compound Complexity":180,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-(2,5-dimethoxy-4-methylselanyl-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-[2,5-dimethoxy-4-(methylseleno)phenyl]ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxy-4-methylselanylphenyl)ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxy-4-methylselanylphenyl)ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxy-4-methylselanyl-phenyl)ethanamine","IUPAC Name Traditional":"2-[2,5-dimethoxy-4-(methylseleno)phenyl]ethylamine",InChI:"1S/C11H17NO2Se/c1-13-9-7-11(15-3)10(14-2)6-8(9)4-5-12/h6-7H,4-5,12H2,1-3H3",InChIKey:"CXQUHXATPUFGMC-UHFFFAOYSA-N","Exact Mass":275.04245,"Molecular Formula":"C11H17NO2Se","Molecular Weight":274.2,"Monoisotopic Mass":275.04245,Charge:0,"Easy Name":"2C-SE","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C11H17N1O2Se1"},44719534:{PUBCHEM:{CID:"44719534","Compound Complexity":236,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"2-(4-cyclopropylsulfanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"2-[4-(cyclopropylthio)-2,5-dimethoxyphenyl]ethanamine","IUPAC Name Markup":"2-(4-cyclopropylsulfanyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"2-(4-cyclopropylsulfanyl-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"2-(4-cyclopropylsulfanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"2-[4-(cyclopropylthio)-2,5-dimethoxy-phenyl]ethylamine",InChI:"1S/C13H19NO2S/c1-15-11-8-13(17-10-3-4-10)12(16-2)7-9(11)5-6-14/h7-8,10H,3-6,14H2,1-2H3",InChIKey:"HHAPMOUVSYQKLK-UHFFFAOYSA-N","Log P":2.3,"Exact Mass":253.11365003,"Molecular Formula":"C13H19NO2S","Molecular Weight":253.36,"Monoisotopic Mass":253.11365003,Charge:0,"Easy Name":"2C-T-15","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C13H19N1O2S1"},44720223:{PUBCHEM:{CID:"44720223","Compound Complexity":26.3,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Dihydroxy(oxo)hafnium","IUPAC Name CAS-like Style":"Dihydroxy(oxo)hafnium","IUPAC Name Markup":"Dihydroxy(oxo)hafnium","IUPAC Name Preferred":"Dihydroxy(oxo)hafnium","IUPAC Name Systematic":"Bis(oxidanyl)-oxidanylidene-hafnium","IUPAC Name Traditional":"Dihydroxy(keto)hafnium",InChI:"1S/Hf.2H2O.O/h;2*1H2;/q+2;;;/p-2",InChIKey:"HQPDJPXBLOFCHJ-UHFFFAOYSA-L","Exact Mass":229.94695,"Molecular Formula":"H2HfO3","Molecular Weight":228.5,"Monoisotopic Mass":229.94695,Charge:0,"Easy Name":"Dihydroxy (oxo)hafnium","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H2Hf1O3"},44720998:{PUBCHEM:{CID:"44720998","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(oxo)scandium","IUPAC Name CAS-like Style":"Hydroxy(oxo)scandium","IUPAC Name Markup":"Hydroxy(oxo)scandium","IUPAC Name Preferred":"Hydroxy(oxo)scandium","IUPAC Name Systematic":"Oxidanyl(oxidanylidene)scandium","IUPAC Name Traditional":"Hydroxy(keto)scandium",InChI:"1S/H2O.O.Sc/h1H2;;/q;;+1/p-1",InChIKey:"RQEJQUPOFLWPFZ-UHFFFAOYSA-M","Exact Mass":77.953562,"Molecular Formula":"HO2Sc","Molecular Weight":77.963,"Monoisotopic Mass":77.953562,Charge:0,"Easy Name":"Scandium (III) oxide-hydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"H1O2Sc1"},44890706:{PUBCHEM:{CID:"44890706","Compound Complexity":96.6,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dipotassium;heptafluoroniobium(2-)","IUPAC Name CAS-like Style":"Dipotassium;heptafluoroniobium(2-)","IUPAC Name Markup":"Dipotassium;heptafluoroniobium(2-)","IUPAC Name Preferred":"Dipotassium;heptafluoroniobium(2-)","IUPAC Name Systematic":"Dipotassium;heptakis(fluoranyl)niobium(2-)","IUPAC Name Traditional":"Dipotassium;heptafluoroniobium(2-)",InChI:"1S/7FH.2K.Nb/h7*1H;;;/q;;;;;;;2*+1;+5/p-7",InChIKey:"FTPUNAWAGWERLA-UHFFFAOYSA-G","Exact Mass":303.82261,"Molecular Formula":"F7K2Nb","Molecular Weight":304.092,"Monoisotopic Mass":303.82261,Charge:0,"Easy Name":"Potassium heptafluoroniobate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F7K2Nb1"},45266826:{PUBCHEM:{CID:"45266826","Compound Complexity":171,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"2-(methylamino)-1-(p-tolyl)propan-1-one","IUPAC Name CAS-like Style":"2-(methylamino)-1-(4-methylphenyl)-1-propanone","IUPAC Name Markup":"2-(methylamino)-1-(4-methylphenyl)propan-1-one","IUPAC Name Preferred":"2-(methylamino)-1-(4-methylphenyl)propan-1-one","IUPAC Name Systematic":"2-(methylamino)-1-(4-methylphenyl)propan-1-one","IUPAC Name Traditional":"2-(methylamino)-1-(p-tolyl)propan-1-one",InChI:"1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",InChIKey:"YELGFTGWJGBAQU-UHFFFAOYSA-N","Log P":2,"Exact Mass":177.11536411,"Molecular Formula":"C11H15NO","Molecular Weight":177.24,"Monoisotopic Mass":177.11536411,Charge:0,"Easy Name":"Mephedrone","Easy Category":"Ketone"},HSDB:{"Color And Form":{Value:"Fine-white to off-white or slightly colored powder ... also found in tablet or capsule form"},Solubility:{Value:"In water, 5211 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"5.39X10-3 mm Hg at 25 °C (est)"}},ReducedFormula:"C11H15N1O1"},45789647:{PUBCHEM:{CID:"45789647","Compound Complexity":244,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one","IUPAC Name CAS-like Style":"1-(1,3-benzodioxol-5-yl)-2-(methylamino)-1-propanone","IUPAC Name Markup":"1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one","IUPAC Name Preferred":"1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one","IUPAC Name Systematic":"1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one","IUPAC Name Traditional":"1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one",InChI:"1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3",InChIKey:"VKEQBMCRQDSRET-UHFFFAOYSA-N","Log P":.6,"Exact Mass":207.08954328,"Molecular Formula":"C11H13NO3","Molecular Weight":207.23,"Monoisotopic Mass":207.08954328,Charge:0,"Easy Name":"Methylone","Easy Category":"Phenethylamines"},HSDB:{Solubility:{Value:"In water, 9.67X10+3 mg/L at 25 °C (est)"},"Vapor Pressure":{Value:"2.14X10-4 mm Hg at 25 °C (est)"}},ReducedFormula:"C11H13N1O3"},46856354:{PUBCHEM:{CID:"46856354","Compound Complexity":331,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"2-(4-chloro-2,5-dimethoxy-phenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name CAS-like Style":"2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Markup":"2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Preferred":"2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Systematic":"2-(4-chloranyl-2,5-dimethoxy-phenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Traditional":"2-(4-chloro-2,5-dimethoxy-phenyl)ethyl-o-anisyl-amine",InChI:"1S/C18H22ClNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3",InChIKey:"FJFPOGCVVLUYAQ-UHFFFAOYSA-N","Log P":3.8,"Exact Mass":335.1288213,"Molecular Formula":"C18H22ClNO3","Molecular Weight":335.8,"Monoisotopic Mass":335.1288213,Charge:0,"Easy Name":"2C-C-NBOMe","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C18Cl1H22N1O3"},46926108:{PUBCHEM:{CID:"46926108","Compound Complexity":2180,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":0,"Rotatable Bond":23,"IUPAC Name Allowed":"Magnesium;methyl (3R,21S,22S)-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-16-vinyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate","IUPAC Name CAS-like Style":"Magnesium;(3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylic acid methyl ester","IUPAC Name Markup":"Magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate","IUPAC Name Preferred":"Magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate","IUPAC Name Systematic":"Magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-methanoyl-17,21,26-trimethyl-4-oxidanylidene-22-[3-oxidanylidene-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate","IUPAC Name Traditional":"Magnesium;(3R,21S,22S)-11-ethyl-12-formyl-4-keto-22-[3-keto-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-17,21,26-trimethyl-16-vinyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylic acid methyl ester",InChI:"1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1",InChIKey:"NSMUHPMZFPKNMZ-VBYMZDBQSA-M","Exact Mass":906.5145777,"Molecular Formula":"C55H70MgN4O6","Molecular Weight":907.5,"Monoisotopic Mass":906.5145777,Charge:0,"Easy Name":"Chlorophyll b","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"C55H70Mg1N4O6"},50878551:{PUBCHEM:{CID:"50878551","Compound Complexity":308,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"N-allyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-en-1-amine","IUPAC Name CAS-like Style":"N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-prop-2-enyl-2-propen-1-amine","IUPAC Name Markup":"N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine","IUPAC Name Preferred":"N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine","IUPAC Name Systematic":"N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-prop-2-enyl-prop-2-en-1-amine","IUPAC Name Traditional":"Diallyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amine",InChI:"1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3",InChIKey:"HGRHWEAUHXYNNP-UHFFFAOYSA-N","Log P":2.8,"Exact Mass":270.17321334,"Molecular Formula":"C17H22N2O","Molecular Weight":270.37,"Monoisotopic Mass":270.17321334,Charge:0,"Easy Name":"5-MeO-DALT","Easy Category":"Tryptamines"},HSDB:{},ReducedFormula:"C17H22N2O1"},50986257:{PUBCHEM:{CID:"50986257","Compound Complexity":1260,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":6,"Rotatable Bond":10,"IUPAC Name Allowed":"(2S,3S,4S,5Z)-4-(2-carboxyethyl)-5-[2-[[3-ethyl-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-1,2-dihydropyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-3-methyl-4-oxo-1H-cyclopenta[b]pyrrol-6-ylidene]-3-methyl-pyrrolidine-2-carboxylic acid","IUPAC Name CAS-like Style":"(2S,3S,4S,5Z)-4-(2-carboxyethyl)-5-[2-[[5-[(3-ethenyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-4-oxo-1H-cyclopenta[b]pyrrol-6-ylidene]-3-methyl-2-pyrrolidinecarboxylic acid","IUPAC Name Markup":"(2S,3S,4S,5Z)-4-(2-carboxyethyl)-5-[2-[[5-[(3-ethenyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-4-oxo-1H-cyclopenta[b]pyrrol-6-ylidene]-3-methylpyrrolidine-2-carboxylic acid","IUPAC Name Preferred":"(2S,3S,4S,5Z)-4-(2-carboxyethyl)-5-[2-[[5-[(3-ethenyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-4-oxo-1H-cyclopenta[b]pyrrol-6-ylidene]-3-methylpyrrolidine-2-carboxylic acid","IUPAC Name Systematic":"(2S,3S,4S,5Z)-5-[2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-4-oxidanylidene-1H-cyclopenta[b]pyrrol-6-ylidene]-4-(3-hydroxy-3-oxopropyl)-3-methyl-pyrrolidine-2-carboxylic acid","IUPAC Name Traditional":"(2S,3S,4S,5Z)-4-(2-carboxyethyl)-5-[2-[[3-ethyl-5-[(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-keto-3-methyl-1H-cyclopenta[b]pyrrol-6-ylidene]-3-methyl-proline",InChI:"1S/C33H40N4O6/c1-7-18-14(3)22(12-25-19(8-2)16(5)32(41)36-25)34-24(18)13-23-17(6)28-26(38)11-21(31(28)35-23)30-20(9-10-27(39)40)15(4)29(37-30)33(42)43/h8,15,20,25,29,34-35,37H,2,7,9-13H2,1,3-6H3,(H,36,41)(H,39,40)(H,42,43)/b30-21-/t15-,20-,25?,29-/m0/s1",InChIKey:"QUHVVVWAQMRCSJ-IXXPHHLHSA-N","Log P":3.1,"Exact Mass":588.29478503,"Molecular Formula":"C33H40N4O6","Molecular Weight":588.7,"Monoisotopic Mass":588.29478503,Charge:0,"Easy Name":"Dinoflagellate Luciferin","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C33H40N4O6"},53249294:{PUBCHEM:{CID:"53249294","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Europium(2+);dibromide","IUPAC Name CAS-like Style":"Europium(2+);dibromide","IUPAC Name Markup":"Europium(2+);dibromide","IUPAC Name Preferred":"Europium(2+);dibromide","IUPAC Name Systematic":"Europium(2+);dibromide","IUPAC Name Traditional":"Europium(2+);dibromide",InChI:"1S/2BrH.Eu/h2*1H;/q;;+2/p-2",InChIKey:"PJVPGMOCWCUQHP-UHFFFAOYSA-L","Exact Mass":312.75586,"Molecular Formula":"Br2Eu","Molecular Weight":311.77,"Monoisotopic Mass":310.75791,Charge:0,"Easy Name":"Europium (II) bromide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br2Eu1"},53356674:{PUBCHEM:{CID:"53356674","Compound Complexity":1570,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":6,"IUPAC Name Allowed":"3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-7,12-divinyl-porphyrin-21,23-diid-2-yl]propanoate;iron","IUPAC Name CAS-like Style":"3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoate;iron","IUPAC Name Markup":"3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;iron","IUPAC Name Preferred":"3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;iron","IUPAC Name Systematic":"3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,23-diid-2-yl]propanoate;iron","IUPAC Name Traditional":"3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-7,12-divinyl-porphine-21,23-diid-2-yl]propionate;iron",InChI:"1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/p-4",InChIKey:"RNQMHXMGXVQRMV-UHFFFAOYSA-J","Exact Mass":614.161641,"Molecular Formula":"C34H30FeN4O4-4","Molecular Weight":614.5,"Monoisotopic Mass":614.161641,Charge:-4,"Easy Name":"Heme B","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"-4C34Fe1H30N4O4"},53378771:{PUBCHEM:{CID:"53378771","Compound Complexity":0,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Antimony;pentabromide","IUPAC Name CAS-like Style":"Antimony;pentabromide","IUPAC Name Markup":"Antimony;pentabromide","IUPAC Name Preferred":"Antimony;pentabromide","IUPAC Name Systematic":"Antimony;pentabromide","IUPAC Name Traditional":"Antimony;pentabromide",InChI:"1S/5BrH.Sb/h5*1H;/p-5",InChIKey:"JRULTPVCBVFALM-UHFFFAOYSA-I","Exact Mass":519.4914,"Molecular Formula":"Br5Sb-5","Molecular Weight":521.28,"Monoisotopic Mass":515.4955,Charge:-5,"Easy Name":"Antimony Pentabromide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"-5Br5Sb1"},53428790:{PUBCHEM:{CID:"53428790","Compound Complexity":82.7,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"5-ethyl-2,2-dimethyl-heptane","IUPAC Name CAS-like Style":"5-ethyl-2,2-dimethylheptane","IUPAC Name Markup":"5-ethyl-2,2-dimethylheptane","IUPAC Name Preferred":"5-ethyl-2,2-dimethylheptane","IUPAC Name Systematic":"5-ethyl-2,2-dimethyl-heptane","IUPAC Name Traditional":"5-ethyl-2,2-dimethyl-heptane",InChI:"1S/C11H24/c1-6-10(7-2)8-9-11(3,4)5/h10H,6-9H2,1-5H3",InChIKey:"HVVFIKMZXFNXKA-UHFFFAOYSA-N","Log P":5.4,"Exact Mass":156.18780077,"Molecular Formula":"C11H24","Molecular Weight":156.31,"Monoisotopic Mass":156.18780077,Charge:0,"Easy Name":"2, 2-DIMETHYL-5-ETHYLHEPTANE","Easy Category":"Hydrocarbon"},HSDB:{},ReducedFormula:"C11H24"},53477694:{PUBCHEM:{CID:"53477694","Compound Complexity":605,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18?,19+,20+,21+,23+,24-/m1/s1",InChIKey:"KXGVEGMKQFWNSR-FBDAZGPESA-N","Log P":4.9,"Exact Mass":392.29265977,"Molecular Formula":"C24H40O4","Molecular Weight":392.6,"Monoisotopic Mass":392.29265977,Charge:0,"Easy Name":"Allodeoxycholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O4"},53477700:{PUBCHEM:{CID:"53477700","Compound Complexity":637,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S)-10,13-dimethyl-3,6,7-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15?,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1",InChIKey:"DKPMWHFRUGMUKF-LPMPYYIQSA-N","Log P":3.9,"Exact Mass":408.28757439,"Molecular Formula":"C24H40O5","Molecular Weight":408.6,"Monoisotopic Mass":408.28757439,Charge:0,"Easy Name":"Alpha-Muricholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H40O5"},53664875:{PUBCHEM:{CID:"53664875","Compound Complexity":151,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":2,"IUPAC Name Allowed":"(2R,3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol","IUPAC Name CAS-like Style":"(2R,3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Markup":"(2R,3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Preferred":"(2R,3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol","IUPAC Name Systematic":"(2R,3S,4S,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol","IUPAC Name Traditional":"(2R,3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol",InChI:"1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4-,5+,6+/m0/s1",InChIKey:"AVVWPBAENSWJCB-FQJSGBEDSA-N","Log P":-2.6,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"Α-L-galactofuranose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},53691297:{PUBCHEM:{CID:"53691297","Compound Complexity":23.6,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":1,"Rotatable Bond":1,"IUPAC Name Allowed":"1,2-dibromoethanol","IUPAC Name CAS-like Style":"1,2-dibromoethanol","IUPAC Name Markup":"1,2-dibromoethanol","IUPAC Name Preferred":"1,2-dibromoethanol","IUPAC Name Systematic":"1,2-bis(bromanyl)ethanol","IUPAC Name Traditional":"1,2-dibromoethanol",InChI:"1S/C2H4Br2O/c3-1-2(4)5/h2,5H,1H2",InChIKey:"IYJYRKYSUOTLAE-UHFFFAOYSA-N","Log P":1.2,"Exact Mass":203.86084,"Molecular Formula":"C2H4Br2O","Molecular Weight":203.86,"Monoisotopic Mass":201.86289,Charge:0,"Easy Name":"1, 2-dibromoethanol","Easy Category":"Alcohol"},HSDB:{},ReducedFormula:"Br2C2H4O1"},54484691:{PUBCHEM:{CID:"54484691","Compound Complexity":214,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"Diacetyl oxalate","IUPAC Name CAS-like Style":"Oxalic acid diacetyl ester","IUPAC Name Markup":"Diacetyl oxalate","IUPAC Name Preferred":"Diacetyl oxalate","IUPAC Name Systematic":"Diethanoyl ethanedioate","IUPAC Name Traditional":"Oxalic acid diacetyl ester",InChI:"1S/C6H6O6/c1-3(7)11-5(9)6(10)12-4(2)8/h1-2H3",InChIKey:"XRMBFFGBVGXJJF-UHFFFAOYSA-N","Log P":0,"Exact Mass":174.01643791,"Molecular Formula":"C6H6O6","Molecular Weight":174.11,"Monoisotopic Mass":174.01643791,Charge:0,"Easy Name":"Acetic oxalic anhydride","Easy Category":"Acid anhydride"},HSDB:{},ReducedFormula:"C6H6O6"},54494119:{PUBCHEM:{CID:"54494119","Compound Complexity":827,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Decacyclo[20.20.0.03,20.05,18.07,16.09,14.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene","IUPAC Name CAS-like Style":"Decacyclo[20.20.0.03,20.05,18.07,16.09,14.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-heneicosaene","IUPAC Name Markup":"Decacyclo[20.20.0.03,20.05,18.07,16.09,14.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene","IUPAC Name Preferred":"Decacyclo[20.20.0.03,20.05,18.07,16.09,14.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene","IUPAC Name Systematic":"Decacyclo[20.20.0.03,20.05,18.07,16.09,14.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene","IUPAC Name Traditional":"Decacyclo[20.20.0.03,20.05,18.07,16.09,14.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-heneicosaene",InChI:"1S/C42H24/c1-2-6-26-10-30-14-34-18-38-22-42-24-40-20-36-16-32-12-28-8-4-3-7-27(28)11-31(32)15-35(36)19-39(40)23-41(42)21-37(38)17-33(34)13-29(30)9-25(26)5-1/h1-24H",InChIKey:"XXVUUWBSFBORGU-UHFFFAOYSA-N","Log P":9.7,"Exact Mass":528.18780077,"Molecular Formula":"C42H24","Molecular Weight":528.6,"Monoisotopic Mass":528.18780077,Charge:0,"Easy Name":"Decacene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C42H24"},54607705:{PUBCHEM:{CID:"54607705","Compound Complexity":137,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-ol","IUPAC Name CAS-like Style":"(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-ol","IUPAC Name Markup":"(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-ol","IUPAC Name Preferred":"(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-ol","IUPAC Name Systematic":"(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-ol","IUPAC Name Traditional":"(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-ol",InChI:"1S/C8H15NO/c1-9-6-2-4-7(9)8(10)5-3-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m0/s1",InChIKey:"MPWKJKJYJHDFLV-RNJXMRFFSA-N","Log P":.8,"Exact Mass":141.11536411,"Molecular Formula":"C8H15NO","Molecular Weight":141.21,"Monoisotopic Mass":141.11536411,Charge:0,"Easy Name":"2β-Tropanol","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C8H15N1O1"},54676884:{PUBCHEM:{CID:"54676884","Compound Complexity":757,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"4-hydroxy-3-[3-(4-phenylphenyl)tetralin-1-yl]chromen-2-one","IUPAC Name CAS-like Style":"4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzopyran-2-one","IUPAC Name Markup":"4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one","IUPAC Name Preferred":"4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one","IUPAC Name Systematic":"4-oxidanyl-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one","IUPAC Name Traditional":"4-hydroxy-3-[3-(4-phenylphenyl)tetralin-1-yl]coumarin",InChI:"1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2",InChIKey:"FVQITOLOYMWVFU-UHFFFAOYSA-N","Log P":6.9,"Exact Mass":444.17254463,"Molecular Formula":"C31H24O3","Molecular Weight":444.5,"Monoisotopic Mass":444.17254463,Charge:0,"Easy Name":"Difenacoum","Easy Category":"Coumarins"},HSDB:{"Boiling Point":{Value:"290 °C (decomposes before boiling)"},"Color And Form":{Value:"Colorless crystals"},Density:{Value:"1.27 at 21.5 °C"},"Melting Point":{Value:"215-217 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water at 20 °C, 84 mg/L (pH 9.3); 2.5 mg/L (pH 7.3); 0.031 mg/L (pH 5.2)"},Uses:{Value:"For difenacoum (USEPA/OPP Pesticide Code: 119901) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"5.0X10-11 mm Hg at 25 °C (Estimated high-end value)"}},ReducedFormula:"C31H24O3"},54678486:{PUBCHEM:{CID:"54678486","Compound Complexity":502,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"4-hydroxy-3-(3-oxo-1-phenyl-butyl)chromen-2-one","IUPAC Name CAS-like Style":"4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one","IUPAC Name Markup":"4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one","IUPAC Name Preferred":"4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one","IUPAC Name Systematic":"4-oxidanyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-one","IUPAC Name Traditional":"Warfarin",InChI:"1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3",InChIKey:"PJVWKTKQMONHTI-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":308.10485899,"Molecular Formula":"C19H16O4","Molecular Weight":308.3,"Monoisotopic Mass":308.10485899,Charge:0,"Easy Name":"Warfarin","Easy Category":"Coumarins"},HSDB:{"Color And Form":{Value:"Crystals from alcohol"},"Melting Point":{Value:"161 °C"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 17 mg/L at 20 °C"},Taste:{Value:"Tasteless"},Uses:{Value:"For warfarin (USEPA/OPP Pesticide Code: 086002) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.5X10-3 mPa /1.125X10-8 mm Hg/ at 25 °C"}},ReducedFormula:"C19H16O4"},54679289:{PUBCHEM:{CID:"54679289","Compound Complexity":936,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"(3E)-3-[(2E,4E)-1-hydroxy-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methyl-hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name CAS-like Style":"(3E)-3-[(2E,4E)-1-hydroxy-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Markup":"(3E)-3-[(2E,4E)-1-hydroxy-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Preferred":"(3E)-3-[(2E,4E)-1-hydroxy-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Systematic":"(3E)-3-[(2E,4E)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxidanylidene-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methyl-1-oxidanyl-hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Traditional":"(3E)-3-[(2E,4E)-1-hydroxy-6-(5-keto-1,7-dimethyl-2-methylol-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl)-4-methyl-hepta-2,4-dienylidene]pyrrolidine-2,4-quinone",InChI:"1S/C22H27NO8/c1-10(5-6-13(25)15-14(26)8-23-20(15)28)7-11(2)17-12(3)18-16(27)19-22(9-24,31-19)21(4,29-17)30-18/h5-7,11-12,17-19,24-25H,8-9H2,1-4H3,(H,23,28)/b6-5+,10-7+,15-13+",InChIKey:"LYJKREGDQDJIDC-BHHJBWQLSA-N","Log P":1.5,"Exact Mass":433.17366683,"Molecular Formula":"C22H27NO8","Molecular Weight":433.5,"Monoisotopic Mass":433.17366683,Charge:0,"Easy Name":"Tirandamycin B","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C22H27N1O8"},54679752:{PUBCHEM:{CID:"54679752","Compound Complexity":459,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":4,"Rotatable Bond":1,"IUPAC Name Allowed":"3-(2,4-dihydroxyphenyl)-4,7-dihydroxy-chromen-2-one","IUPAC Name CAS-like Style":"3-(2,4-dihydroxyphenyl)-4,7-dihydroxy-1-benzopyran-2-one","IUPAC Name Markup":"3-(2,4-dihydroxyphenyl)-4,7-dihydroxychromen-2-one","IUPAC Name Preferred":"3-(2,4-dihydroxyphenyl)-4,7-dihydroxychromen-2-one","IUPAC Name Systematic":"3-[2,4-bis(oxidanyl)phenyl]-4,7-bis(oxidanyl)chromen-2-one","IUPAC Name Traditional":"3-(2,4-dihydroxyphenyl)-4,7-dihydroxy-coumarin",InChI:"1S/C15H10O6/c16-7-1-3-9(11(18)5-7)13-14(19)10-4-2-8(17)6-12(10)21-15(13)20/h1-6,16-19H",InChIKey:"OZOZCKVLUMXFGS-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":286.04773804,"Molecular Formula":"C15H10O6","Molecular Weight":286.24,"Monoisotopic Mass":286.04773804,Charge:0,"Easy Name":"Asphodelin A","Easy Category":"Coumarins"},HSDB:{},ReducedFormula:"C15H10O6"},54680085:{PUBCHEM:{CID:"54680085","Compound Complexity":744,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":6,"IUPAC Name Allowed":"3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenyl-propyl]-4-hydroxy-chromen-2-one","IUPAC Name CAS-like Style":"3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxy-1-benzopyran-2-one","IUPAC Name Markup":"3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one","IUPAC Name Preferred":"3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one","IUPAC Name Systematic":"3-[3-[4-(4-bromophenyl)phenyl]-3-oxidanyl-1-phenyl-propyl]-4-oxidanyl-chromen-2-one","IUPAC Name Traditional":"3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenyl-propyl]-4-hydroxy-coumarin",InChI:"1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2",InChIKey:"OWNRRUFOJXFKCU-UHFFFAOYSA-N","Log P":6.1,"Exact Mass":526.07797,"Molecular Formula":"C30H23BrO4","Molecular Weight":527.4,"Monoisotopic Mass":526.07797,Charge:0,"Easy Name":"Bromadiolone","Easy Category":"Coumarins"},HSDB:{"Boiling Point":{Value:"Decomposes, without boiling, above the melting point"},"Color And Form":{Value:"White to off-white powder"},Density:{Value:"1.45 at 20.5 °C"},"Melting Point":{Value:"198.3-199.8 °C (approximately 100% purity)"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, >1.14X10+4 at pH 5, 2.48X10-3 at pH 7, 0.180 at pH 9 (all in g/L at 20 °C)"},Uses:{Value:"For bromadiolone (USEPA/OPP Pesticide Code: 112001) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"2.13X10-8 Pa at 25 °C = 1.6X10-10 mm Hg at 25 °C (extrapolated)"}},ReducedFormula:"Br1C30H23O4"},54680676:{PUBCHEM:{CID:"54680676","Compound Complexity":791,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"3-[3-[4-(4-bromophenyl)phenyl]tetralin-1-yl]-4-hydroxy-chromen-2-one","IUPAC Name CAS-like Style":"3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-1-benzopyran-2-one","IUPAC Name Markup":"3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one","IUPAC Name Preferred":"3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one","IUPAC Name Systematic":"3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-chromen-2-one","IUPAC Name Traditional":"3-[3-[4-(4-bromophenyl)phenyl]tetralin-1-yl]-4-hydroxy-coumarin",InChI:"1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2",InChIKey:"VEUZZDOCACZPRY-UHFFFAOYSA-N","Log P":7.6,"Exact Mass":522.08306,"Molecular Formula":"C31H23BrO3","Molecular Weight":523.4,"Monoisotopic Mass":522.08306,Charge:0,"Easy Name":"Brodifacoum","Easy Category":"Coumarins"},HSDB:{"Color And Form":{Value:"White powder"},Density:{Value:"1.4 g/cc at 25 °C (92.5% w/w)"},"Melting Point":{Value:"232 °C (Decomp) (98.7 % purity)"},Odor:{Value:"Odorless"},Solubility:{Value:"In water, 0.24 mg/L at 20 °C and pH 7.4"},Uses:{Value:"For brodifacoum (USEPA/OPP Pesticide Code: 112701) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},"Vapor Pressure":{Value:"1.1X10-18 mm Hg at 25 °C (est)"}},ReducedFormula:"Br1C31H23O3"},54680783:{PUBCHEM:{CID:"54680783","Compound Complexity":536,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid","IUPAC Name CAS-like Style":"(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid","IUPAC Name Markup":"(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid","IUPAC Name Preferred":"(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid","IUPAC Name Systematic":"(3R,4S)-3,4,5-trimethyl-6-oxidanyl-8-oxidanylidene-3,4-dihydroisochromene-7-carboxylic acid","IUPAC Name Traditional":"(3R,4S)-6-hydroxy-8-keto-3,4,5-trimethyl-3,4-dihydroisochromene-7-carboxylic acid",InChI:"1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1",InChIKey:"CBGDIJWINPWWJW-IYSWYEEDSA-N","Log P":1.7,"Exact Mass":250.08412355,"Molecular Formula":"C13H14O5","Molecular Weight":250.25,"Monoisotopic Mass":250.08412355,Charge:0,"Easy Name":"Citrinin","Easy Category":"Antibacterial"},HSDB:{"Boiling Point":{Value:"178-179 °C (decomposes)"},"Color And Form":{Value:"Lemon-yellow needles from alc"},pH:{Value:"Strong acid"},Solubility:{Value:"Practically insol in water; sol in alc, dioxane, dilute alkali"},Uses:{Value:"There is no current use for citrinin other than for research purposes."},"Vapor Pressure":{Value:"5.6X10-10 mm Hg at 25 °C /Estimated/"}},ReducedFormula:"C13H14O5"},54682463:{PUBCHEM:{CID:"54682463","Compound Complexity":697,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(2R,3S,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one","IUPAC Name CAS-like Style":"(2R,3S,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one","IUPAC Name Markup":"(2R,3S,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one","IUPAC Name Preferred":"(2R,3S,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one","IUPAC Name Systematic":"(2R,3S,9R)-5-ethanoyl-8,8-dimethyl-4-oxidanyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one","IUPAC Name Traditional":"(2R,3S,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one",InChI:"1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1",InChIKey:"SZINUGQCTHLQAZ-DQYPLSBCSA-N","Log P":2.2,"Exact Mass":336.14739251,"Molecular Formula":"C20H20N2O3","Molecular Weight":336.4,"Monoisotopic Mass":336.14739251,Charge:0,"Easy Name":"Cyclopiazonic acid","Easy Category":"Ketone"},HSDB:{},ReducedFormula:"C20H20N2O3"},54683011:{PUBCHEM:{CID:"54683011","Compound Complexity":307,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-4-acetyl-3-hydroxy-2-[(1S)-1-methylpropyl]-1,2-dihydropyrrol-5-one","IUPAC Name CAS-like Style":"(2S)-4-acetyl-2-[(2S)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one","IUPAC Name Markup":"(2S)-4-acetyl-2-[(2S)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one","IUPAC Name Preferred":"(2S)-4-acetyl-2-[(2S)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one","IUPAC Name Systematic":"(2S)-2-[(2S)-butan-2-yl]-4-ethanoyl-3-oxidanyl-1,2-dihydropyrrol-5-one","IUPAC Name Traditional":"(5S)-3-acetyl-4-hydroxy-5-[(1S)-1-methylpropyl]-3-pyrrolin-2-one",InChI:"1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)/t5-,8-/m0/s1",InChIKey:"CEIZFXOZIQNICU-XNCJUZBTSA-N","Log P":1.2,"Exact Mass":197.10519335,"Molecular Formula":"C10H15NO3","Molecular Weight":197.23,"Monoisotopic Mass":197.10519335,Charge:0,"Easy Name":"Tenuazonic acid","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C10H15N1O3"},54683688:{PUBCHEM:{CID:"54683688","Compound Complexity":271,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":5,"Rotatable Bond":3,"IUPAC Name Allowed":"(2S)-3,4-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one","IUPAC Name CAS-like Style":"(2S)-3,4-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one","IUPAC Name Markup":"(2S)-3,4-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one","IUPAC Name Preferred":"(2S)-3,4-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one","IUPAC Name Systematic":"(2S)-3,4-bis(oxidanyl)-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-2H-furan-5-one","IUPAC Name Traditional":"(2S)-3,4-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one",InChI:"1S/C7H10O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-3,6,8-12H,1H2/t2-,3-,6+/m1/s1",InChIKey:"ILBBPBRROBHKQL-SAMGZKJBSA-N","Log P":-2.3,"Exact Mass":206.04265266,"Molecular Formula":"C7H10O7","Molecular Weight":206.15,"Monoisotopic Mass":206.04265266,Charge:0,"Easy Name":"Glucoascorbic acid","Easy Category":"Organic compound"},HSDB:{},ReducedFormula:"C7H10O7"},54686803:{PUBCHEM:{CID:"54686803","Compound Complexity":1030,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxido-benzoate","IUPAC Name CAS-like Style":"Trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate","IUPAC Name Markup":"Trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate","IUPAC Name Preferred":"Trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate","IUPAC Name Systematic":"Trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxidanidyl-benzoate","IUPAC Name Traditional":"Trisodium;5-[(E)-(3-carboxy-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxido-benzoate",InChI:"1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14+;;;",InChIKey:"FFUMCSDSJNSMQH-HEXQVDJKSA-K","Exact Mass":536.01298608,"Molecular Formula":"C23H15Na3O9S","Molecular Weight":536.4,"Monoisotopic Mass":536.01298608,Charge:0,"Easy Name":"Eriochrome Cyanine R","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C23H15Na3O9S1"},54689800:{PUBCHEM:{CID:"54689800","Compound Complexity":495,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":4,"IUPAC Name Allowed":"3-[1-(2-furyl)-3-oxo-butyl]-4-hydroxy-chromen-2-one","IUPAC Name CAS-like Style":"3-[1-(2-furanyl)-3-oxobutyl]-4-hydroxy-1-benzopyran-2-one","IUPAC Name Markup":"3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one","IUPAC Name Preferred":"3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one","IUPAC Name Systematic":"3-[1-(furan-2-yl)-3-oxidanylidene-butyl]-4-oxidanyl-chromen-2-one","IUPAC Name Traditional":"3-[1-(2-furyl)-3-keto-butyl]-4-hydroxy-coumarin",InChI:"1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3",InChIKey:"JFIXKFSJCQNGEK-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":298.08412355,"Molecular Formula":"C17H14O5","Molecular Weight":298.29,"Monoisotopic Mass":298.08412355,Charge:0,"Easy Name":"Coumafuryl","Easy Category":"Coumarins"},HSDB:{"Color And Form":{Value:"White powder"},"Melting Point":{Value:"124 °C"},Solubility:{Value:"Practically insoluble in water; readily soluble in acetone, methyl ethyl ketone, cyclohexanone, ether, dioxane, methylene chloride, dimethylformamide; moderately soluble in toluene, xylene, trichloroethylene, carbon tetrachloride; very slightly soluble in petroleum ether and mineral oils"},Uses:{Value:'The active ingredient is no longer contained in any registered products ... "cancelled."'},"Vapor Pressure":{Value:"Very low at room temperature"}},ReducedFormula:"C17H14O5"},54694372:{PUBCHEM:{CID:"54694372","Compound Complexity":1100,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":1,"Rotatable Bond":3,"IUPAC Name Allowed":"Trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonato-phenyl)methyl]-3-methyl-2-oxido-benzoate","IUPAC Name CAS-like Style":"Trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate","IUPAC Name Markup":"Trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate","IUPAC Name Preferred":"Trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate","IUPAC Name Systematic":"Trisodium;5-[(E)-[2,6-bis(chloranyl)-3-sulfonato-phenyl]-(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-2-oxidanidyl-benzoate","IUPAC Name Traditional":"Trisodium;5-[(E)-(3-carboxy-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonato-phenyl)methyl]-3-methyl-2-oxido-benzoate",InChI:"1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3/b17-12+;;;",InChIKey:"FUIZKNBTOOKONL-DPSBJRLESA-K","Exact Mass":603.9350414,"Molecular Formula":"C23H13Cl2Na3O9S","Molecular Weight":605.3,"Monoisotopic Mass":603.9350414,Charge:0,"Easy Name":"Chrome Azurol S","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C23Cl2H13Na3O9S1"},54704398:{PUBCHEM:{CID:"54704398","Compound Complexity":219,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":3,"Rotatable Bond":1,"IUPAC Name Allowed":"3-hydroxy-1H-indole-2-carboxylic acid","IUPAC Name CAS-like Style":"3-hydroxy-1H-indole-2-carboxylic acid","IUPAC Name Markup":"3-hydroxy-1H-indole-2-carboxylic acid","IUPAC Name Preferred":"3-hydroxy-1H-indole-2-carboxylic acid","IUPAC Name Systematic":"3-oxidanyl-1H-indole-2-carboxylic acid","IUPAC Name Traditional":"3-hydroxy-1H-indole-2-carboxylic acid",InChI:"1S/C9H7NO3/c11-8-5-3-1-2-4-6(5)10-7(8)9(12)13/h1-4,10-11H,(H,12,13)",InChIKey:"AMXMODDEDUGKDR-UHFFFAOYSA-N","Log P":2.1,"Exact Mass":177.042593089,"Molecular Formula":"C9H7NO3","Molecular Weight":177.16,"Monoisotopic Mass":177.042593089,Charge:0,"Easy Name":"Indoxylic acid","Easy Category":"Heterocyclic compounds (2 rings)"},HSDB:{},ReducedFormula:"C9H7N1O3"},54706137:{PUBCHEM:{CID:"54706137","Compound Complexity":918,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,2S,4R,6R,7R,8R)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name CAS-like Style":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,2S,4R,6R,7R,8R)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Markup":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,2S,4R,6R,7R,8R)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Preferred":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,2S,4R,6R,7R,8R)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Systematic":"(3E)-3-[(2E,4E,6R)-4-methyl-1-oxidanyl-6-[(1R,2S,4R,6R,7R,8R)-1,2,7-trimethyl-5-oxidanylidene-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Traditional":"(3E)-3-[(2E,4E,6R)-1-hydroxy-6-[(1R,2S,4R,6R,7R,8R)-5-keto-1,2,7-trimethyl-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methyl-hepta-2,4-dienylidene]pyrrolidine-2,4-quinone",InChI:"1S/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13+/t11-,12-,17-,18-,19+,21+,22-/m1/s1",InChIKey:"URGUBECARCAPRI-UYXUTHQNSA-N","Log P":2.6,"Exact Mass":417.17875221,"Molecular Formula":"C22H27NO7","Molecular Weight":417.5,"Monoisotopic Mass":417.17875221,Charge:0,"Easy Name":"Tirandamycin A","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C22H27N1O7"},54721307:{PUBCHEM:{CID:"54721307","Compound Complexity":213,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":4,"Rotatable Bond":2,"IUPAC Name Allowed":"3,4-dihydroxyfuran-2,5-dicarboxylic acid","IUPAC Name CAS-like Style":"3,4-dihydroxyfuran-2,5-dicarboxylic acid","IUPAC Name Markup":"3,4-dihydroxyfuran-2,5-dicarboxylic acid","IUPAC Name Preferred":"3,4-dihydroxyfuran-2,5-dicarboxylic acid","IUPAC Name Systematic":"3,4-bis(oxidanyl)furan-2,5-dicarboxylic acid","IUPAC Name Traditional":"3,4-dihydroxyfuran-2,5-dicarboxylic acid",InChI:"1S/C6H4O7/c7-1-2(8)4(6(11)12)13-3(1)5(9)10/h7-8H,(H,9,10)(H,11,12)",InChIKey:"WQVPMJYORBZJIU-UHFFFAOYSA-N","Log P":1.1,"Exact Mass":187.99570247,"Molecular Formula":"C6H4O7","Molecular Weight":188.09,"Monoisotopic Mass":187.99570247,Charge:0,"Easy Name":"3, 4-dihydroxyfuran-2, 5-dicarboxylic acid","Easy Category":"Heterocyclic compound"},HSDB:{},ReducedFormula:"C6H4O7"},54728536:{PUBCHEM:{CID:"54728536","Compound Complexity":806,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name CAS-like Style":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Markup":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Preferred":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Systematic":"(3E)-3-[(2E,4E,6R)-4-methyl-1-oxidanyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Traditional":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-quinone",InChI:"1S/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1",InChIKey:"WWRZQUIPJGHZFD-IVGQTCGHSA-N","Log P":3.6,"Exact Mass":387.20457304,"Molecular Formula":"C22H29NO5","Molecular Weight":387.5,"Monoisotopic Mass":387.20457304,Charge:0,"Easy Name":"Tirandamycin C","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C22H29N1O5"},54728537:{PUBCHEM:{CID:"54728537","Compound Complexity":880,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,3R,4R,5S)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name CAS-like Style":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,3R,4R,5S)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Markup":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,3R,4R,5S)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Preferred":"(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,3R,4R,5S)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Systematic":"(3E)-3-[(2E,4E,6R)-4-methyl-1-oxidanyl-6-[(1S,3R,4R,5S)-1,4,8-trimethyl-6-oxidanylidene-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Traditional":"(3E)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,3R,4R,5S)-6-keto-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methyl-hepta-2,4-dienylidene]pyrrolidine-2,4-quinone",InChI:"1S/C22H27NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,19-20,24H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15+/t12-,14-,19-,20+,22+/m1/s1",InChIKey:"WORJTWSOUPGODS-KFBBACJUSA-N","Log P":2.8,"Exact Mass":401.18383759,"Molecular Formula":"C22H27NO6","Molecular Weight":401.5,"Monoisotopic Mass":401.18383759,Charge:0,"Easy Name":"Tirandamycin D","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C22H27N1O6"},54728540:{PUBCHEM:{CID:"54728540","Compound Complexity":838,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":3,"Rotatable Bond":4,"IUPAC Name Allowed":"(3E)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,3R,4R,5S,6S)-6-hydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methyl-hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name CAS-like Style":"(3E)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,3R,4R,5S,6S)-6-hydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Markup":"(3E)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,3R,4R,5S,6S)-6-hydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Preferred":"(3E)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,3R,4R,5S,6S)-6-hydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Systematic":"(3E)-3-[(2E,4E,6R)-4-methyl-1-oxidanyl-6-[(1S,3R,4R,5S,6S)-1,4,8-trimethyl-6-oxidanyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione","IUPAC Name Traditional":"(3E)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,3R,4R,5S,6S)-6-hydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methyl-hepta-2,4-dienylidene]pyrrolidine-2,4-quinone",InChI:"1S/C22H29NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,16,19-20,24-25H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15+/t12-,14-,16+,19-,20+,22+/m1/s1",InChIKey:"ADEAEUKXVJOXIM-FJNCHITRSA-N","Log P":2.5,"Exact Mass":403.19948766,"Molecular Formula":"C22H29NO6","Molecular Weight":403.5,"Monoisotopic Mass":403.19948766,Charge:0,"Easy Name":"Tirandamycin F","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C22H29N1O6"},54737445:{PUBCHEM:{CID:"54737445","Compound Complexity":232,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":6,"Rotatable Bond":4,"IUPAC Name Allowed":"Calcium;2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-olate","IUPAC Name CAS-like Style":"Calcium;2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-olate","IUPAC Name Markup":"Calcium;2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-olate","IUPAC Name Preferred":"Calcium;2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-olate","IUPAC Name Systematic":"Calcium;2-[1,2-bis(oxidanyl)ethyl]-3-oxidanyl-5-oxidanylidene-2H-furan-4-olate","IUPAC Name Traditional":"Calcium;2-(1,2-dihydroxyethyl)-3-hydroxy-5-keto-2H-furan-4-olate",InChI:"1S/2C6H8O6.Ca/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2",InChIKey:"BLORRZQTHNGFTI-UHFFFAOYSA-L","Exact Mass":390.0111168,"Molecular Formula":"C12H14CaO12","Molecular Weight":390.31,"Monoisotopic Mass":390.0111168,Charge:0,"Easy Name":"Calcium ascorbate","Easy Category":"Vitamin"},HSDB:{"Color And Form":{Value:"White crystalline powder"},Odor:{Value:"ODORLESS"},Solubility:{Value:"INSOL IN ETHER"},Uses:{Value:"ANTIOXIDANT FOR FOODS; VITAMIN C SOURCE"}},ReducedFormula:"C12Ca1H14O12"},56368272:{PUBCHEM:{CID:"56368272","Compound Complexity":717,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":9,"IUPAC Name Allowed":"Isobutyl 4-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]-1,4-diazepane-1-carboxylate","IUPAC Name CAS-like Style":"4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]-1,4-diazepane-1-carboxylic acid 2-methylpropyl ester","IUPAC Name Markup":"2-methylpropyl 4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]-1,4-diazepane-1-carboxylate","IUPAC Name Preferred":"2-methylpropyl 4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]-1,4-diazepane-1-carboxylate","IUPAC Name Systematic":"2-methylpropyl 4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]-1,4-diazepane-1-carboxylate","IUPAC Name Traditional":"4-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]-1,4-diazepane-1-carboxylic acid isobutyl ester",InChI:"1S/C24H34N4O4S/c1-18(2)17-32-24(31)27-13-8-12-26(15-16-27)21(29)11-4-3-7-14-28-22(30)19-9-5-6-10-20(19)25-23(28)33/h5-6,9-10,18H,3-4,7-8,11-17H2,1-2H3,(H,25,33)",InChIKey:"KWCLBALTSUVSGK-UHFFFAOYSA-N","Log P":3.1,"Exact Mass":474.23007677,"Molecular Formula":"C24H34N4O4S","Molecular Weight":474.6,"Monoisotopic Mass":474.23007677,Charge:0,"Easy Name":"Ferric sodium pyrophosphate","Easy Category":"Double salt"},HSDB:{},ReducedFormula:"C24H34N4O4S1"},56840819:{PUBCHEM:{CID:"56840819","Compound Complexity":645,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"(4R)-4-[(3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name CAS-like Style":"(4R)-4-[(3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Markup":"(4R)-4-[(3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Preferred":"(4R)-4-[(3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Systematic":"(4R)-4-[(3R,5S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid","IUPAC Name Traditional":"(4R)-4-[(3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-7-keto-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid",InChI:"1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22?,23+,24-/m1/s1",InChIKey:"DXOCDBGWDZAYRQ-VLRIONTOSA-N","Log P":4.6,"Exact Mass":390.2770097,"Molecular Formula":"C24H38O4","Molecular Weight":390.6,"Monoisotopic Mass":390.2770097,Charge:0,"Easy Name":"7-Ketolithocholic acid","Easy Category":"Bile acid"},HSDB:{},ReducedFormula:"C24H38O4"},56841881:{PUBCHEM:{CID:"56841881","Compound Complexity":139,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":4,"Rotatable Bond":6,"IUPAC Name Allowed":"Calcium;(2S)-2-amino-5-hydroxy-5-oxo-pentanoate","IUPAC Name CAS-like Style":"Calcium;(2S)-2-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Markup":"Calcium;(2S)-2-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Preferred":"Calcium;(2S)-2-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Systematic":"Calcium;(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate","IUPAC Name Traditional":"Calcium;(2S)-2-amino-5-hydroxy-5-keto-valerate",InChI:"1S/2C5H9NO4.Ca/c2*6-3(5(9)10)1-2-4(7)8;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);/q;;+2/p-2/t2*3-;/m00./s1",InChIKey:"UMVAYAXXQSFULN-QHTZZOMLSA-L","Exact Mass":332.0532563,"Molecular Formula":"C10H16CaN2O8","Molecular Weight":332.32,"Monoisotopic Mass":332.0532563,Charge:0,"Easy Name":"Calcium diglutamate","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C10Ca1H16N2O8"},56841936:{PUBCHEM:{CID:"56841936","Compound Complexity":167,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":2,"Rotatable Bond":4,"IUPAC Name Allowed":"Oxo-oxoalumanyloxy-[oxo(oxoalumanyloxy)silyl]oxy-silane;dihydrate","IUPAC Name CAS-like Style":"Oxo-oxoalumanyloxy-[oxo(oxoalumanyloxy)silyl]oxysilane;dihydrate","IUPAC Name Markup":"Oxo-oxoalumanyloxy-[oxo(oxoalumanyloxy)silyl]oxysilane;dihydrate","IUPAC Name Preferred":"Oxo-oxoalumanyloxy-[oxo(oxoalumanyloxy)silyl]oxysilane;dihydrate","IUPAC Name Systematic":"Oxidanylidene-oxidanylidenealumanyloxy-[oxidanylidene(oxidanylidenealumanyloxy)silyl]oxy-silane;dihydrate","IUPAC Name Traditional":"Keto-ketoalumanyloxy-[keto(ketoalumanyloxy)silyl]oxy-silane;dihydrate",InChI:"1S/2Al.O5Si2.2H2O.2O/c;;1-6(2)5-7(3)4;;;;/h;;;2*1H2;;/q2*+1;-2;;;;",InChIKey:"NLYAJNPCOHFWQQ-UHFFFAOYSA-N","Exact Mass":257.902462,"Molecular Formula":"Al2H4O9Si2","Molecular Weight":258.16,"Monoisotopic Mass":257.902462,Charge:0,"Easy Name":"Aluminium silicate","Easy Category":"Inorganic salt"},HSDB:{"Color And Form":{Value:"White or yellowish-white, earhty mass or white powder; unctuous when moist"},Density:{Value:"2.65 g/cu cm"},Odor:{Value:"When moistened ... develops a clay-like odor"},pH:{Value:"The pH of untreated kaolin slurries normally ranges from 4.5 to 6.5"},"Refractive Index":{Value:"Index of refraction = 1.549; 1.564; 1.565"},Solubility:{Value:"Insoluble in water"},Taste:{Value:"Earth taste"},Uses:{Value:"For kaolin (USEPA/OPP Pesticide Code: 100104) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./"},Viscosity:{Value:"Low viscosity"}},ReducedFormula:"Al2H4O9Si2"},56842925:{PUBCHEM:{CID:"56842925","Compound Complexity":6,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Thioxogallium","IUPAC Name CAS-like Style":"Sulfanylidenegallium","IUPAC Name Markup":"Sulfanylidenegallium","IUPAC Name Preferred":"Sulfanylidenegallium","IUPAC Name Systematic":"Sulfanylidenegallium","IUPAC Name Traditional":"Thioxogallium",InChI:"1S/2Ga.2S",InChIKey:"KACQKPAZMJCGGL-UHFFFAOYSA-N","Exact Mass":203.79442,"Molecular Formula":"Ga2S2","Molecular Weight":203.6,"Monoisotopic Mass":201.79529,Charge:0,"Easy Name":"Digallium disulfide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Ga2S2"},56842982:{PUBCHEM:{CID:"56842982","Compound Complexity":0,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;zinc;oxygen(2-)","IUPAC Name CAS-like Style":"Disodium;zinc;oxygen(2-)","IUPAC Name Markup":"Disodium;zinc;oxygen(2-)","IUPAC Name Preferred":"Disodium;zinc;oxygen(2-)","IUPAC Name Systematic":"Disodium;zinc;oxygen(2-)","IUPAC Name Traditional":"Disodium;zinc;oxygen(2-)",InChI:"1S/2Na.2O.Zn/q2*+1;2*-2;+2",InChIKey:"NECNAXWJIQPTKG-UHFFFAOYSA-N","Exact Mass":141.89851,"Molecular Formula":"Na2O2Zn","Molecular Weight":143.4,"Monoisotopic Mass":141.89851,Charge:0,"Easy Name":"Sodium zinc oxide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Na2O2Zn1"},56927850:{PUBCHEM:{CID:"56927850","Compound Complexity":1220,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":9,"Rotatable Bond":11,"IUPAC Name Allowed":"(2R,4S,5S,6S)-5-acetamido-6-[(1S,2S)-1-acetamido-2-hydroxy-propyl]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydropyran-2-carboxylic acid","IUPAC Name CAS-like Style":"(2R,4S,5S,6S)-5-acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxanecarboxylic acid","IUPAC Name Markup":"(2R,4S,5S,6S)-5-acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxane-2-carboxylic acid","IUPAC Name Preferred":"(2R,4S,5S,6S)-5-acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxane-2-carboxylic acid","IUPAC Name Systematic":"(2R,4S,5S,6S)-5-acetamido-6-[(1S,2S)-1-acetamido-2-oxidanyl-propyl]-2-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxane-2-carboxylic acid","IUPAC Name Traditional":"(2R,4S,5S,6S)-5-acetamido-6-[(1S,2S)-1-acetamido-2-hydroxy-propyl]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydropyran-2-carboxylic acid",InChI:"1S/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11-,12+,14-,15-,16+,17+,18-,19+,22+/m0/s1",InChIKey:"XTZJKGIMUFZFBV-STPXTTIVSA-N","Log P":-6.2,"Exact Mass":639.17890241,"Molecular Formula":"C22H34N5O15P","Molecular Weight":639.5,"Monoisotopic Mass":639.17890241,Charge:0,"Easy Name":"CMP-pseudaminic acid","Easy Category":"Amide"},HSDB:{},ReducedFormula:"C22H34N5O15P1"},56928163:{PUBCHEM:{CID:"56928163","Compound Complexity":2680,"Hydrogen Bond Acceptor":18,"Hydrogen Bond Donor":17,"Rotatable Bond":36,"IUPAC Name Allowed":"(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoic acid","IUPAC Name CAS-like Style":"(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)pentanoic acid","IUPAC Name Markup":"(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid","IUPAC Name Preferred":"(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid","IUPAC Name Systematic":"(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid","IUPAC Name Traditional":"(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]prolyl]prolyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-valeric acid",InChI:"1S/C60H92N20O14/c1-34(82)47(77-48(84)37(61)18-8-24-68-58(62)63)53(89)73-38(19-9-25-69-59(64)65)54(90)80-29-13-23-45(80)56(92)79-28-11-21-43(79)51(87)71-32-46(83)72-40(30-35-14-4-2-5-15-35)49(85)76-42(33-81)55(91)78-27-12-22-44(78)52(88)75-41(31-36-16-6-3-7-17-36)50(86)74-39(57(93)94)20-10-26-70-60(66)67/h2-7,14-17,34,37-45,47,81-82H,8-13,18-33,61H2,1H3,(H,71,87)(H,72,83)(H,73,89)(H,74,86)(H,75,88)(H,76,85)(H,77,84)(H,93,94)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1",InChIKey:"IQYXIVGCMIDGBR-WRBAKOPXSA-N","Log P":-7.1,"Exact Mass":1316.71018773,"Molecular Formula":"C60H92N20O14","Molecular Weight":1317.5,"Monoisotopic Mass":1316.71018773,Charge:0,"Easy Name":"Polisteskinin JT","Easy Category":"Peptide"},HSDB:{},ReducedFormula:"C60H92N20O14"},56951713:{PUBCHEM:{CID:"56951713","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bohrium","IUPAC Name CAS-like Style":"Bohrium","IUPAC Name Markup":"Bohrium","IUPAC Name Preferred":"Bohrium","IUPAC Name Systematic":"Bohrium","IUPAC Name Traditional":"Bohrium",InChI:"1S/Bh",InChIKey:"INOXRQQPOOCQPH-UHFFFAOYSA-N","Exact Mass":274.144,"Molecular Formula":"Bh","Molecular Weight":274.144,"Monoisotopic Mass":274.144,Charge:0,"Easy Name":"Bohrium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Bh1"},56951714:{PUBCHEM:{CID:"56951714","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Hassium","IUPAC Name CAS-like Style":"Hassium","IUPAC Name Markup":"Hassium","IUPAC Name Preferred":"Hassium","IUPAC Name Systematic":"Hassium","IUPAC Name Traditional":"Hassium",InChI:"1S/Hs",InChIKey:"OBDWMWVOVYJOMI-UHFFFAOYSA-N","Exact Mass":277.152,"Molecular Formula":"Hs","Molecular Weight":277.152,"Monoisotopic Mass":277.152,Charge:0,"Easy Name":"Hassium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Hs1"},56951715:{PUBCHEM:{CID:"56951715","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Rutherfordium","IUPAC Name CAS-like Style":"Rutherfordium","IUPAC Name Markup":"Rutherfordium","IUPAC Name Preferred":"Rutherfordium","IUPAC Name Systematic":"Rutherfordium","IUPAC Name Traditional":"Rutherfordium",InChI:"1S/Rf",InChIKey:"YGPLJIIQQIDVFJ-UHFFFAOYSA-N","Exact Mass":267.122,"Molecular Formula":"Rf","Molecular Weight":267.122,"Monoisotopic Mass":267.122,Charge:0,"Easy Name":"Rutherfordium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Rf1"},56951716:{PUBCHEM:{CID:"56951716","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Meitnerium","IUPAC Name CAS-like Style":"Meitnerium","IUPAC Name Markup":"Meitnerium","IUPAC Name Preferred":"Meitnerium","IUPAC Name Systematic":"Meitnerium","IUPAC Name Traditional":"Meitnerium",InChI:"1S/Mt",InChIKey:"VAJSJTKWMRUWBF-UHFFFAOYSA-N","Exact Mass":278.156,"Molecular Formula":"Mt","Molecular Weight":278.156,"Monoisotopic Mass":278.156,Charge:0,"Easy Name":"Meitnerium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Mt1"},56951717:{PUBCHEM:{CID:"56951717","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Seaborgium","IUPAC Name CAS-like Style":"Seaborgium","IUPAC Name Markup":"Seaborgium","IUPAC Name Preferred":"Seaborgium","IUPAC Name Systematic":"Seaborgium","IUPAC Name Traditional":"Seaborgium",InChI:"1S/Sg",InChIKey:"VAOUCABZIBBBJH-UHFFFAOYSA-N","Exact Mass":271.134,"Molecular Formula":"Sg","Molecular Weight":271.134,"Monoisotopic Mass":271.134,Charge:0,"Easy Name":"Seaborgium","Easy Category":"Chemical element"},HSDB:{},ReducedFormula:"Sg1"},57134655:{PUBCHEM:{CID:"57134655","Compound Complexity":903,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":6,"Rotatable Bond":4,"IUPAC Name Allowed":"(3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone","IUPAC Name CAS-like Style":"(3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone","IUPAC Name Markup":"(3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone","IUPAC Name Preferred":"(3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone","IUPAC Name Systematic":"(3S,7R,10S,13S,16R,17S,18R)-17,18-bis(chloranyl)-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone","IUPAC Name Traditional":"(3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-dimethylol-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone",InChI:"1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)/t13-,14+,15-,16+,17+,19-,20+/m1/s1",InChIKey:"PMBVHCCVEPYDSN-BADCMNFISA-N","Log P":.2,"Exact Mass":571.1600537,"Molecular Formula":"C24H31Cl2N5O7","Molecular Weight":572.4,"Monoisotopic Mass":571.1600537,Charge:0,"Easy Name":"Cyclochlorotine","Easy Category":"Mycotoxins"},HSDB:{"Color And Form":{Value:"WHITE NEEDLES FROM METHANOL"},"Melting Point":{Value:"251 °C WITH DECOMP"},Solubility:{Value:"SOL IN WATER & N-BUTANOL"}},ReducedFormula:"C24Cl2H31N5O7"},57339298:{PUBCHEM:{CID:"57339298","Compound Complexity":301,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"(1S,6S,7S,8S)-8-isopropyl-1-methyl-3-methylene-tricyclo[4.4.0.02,7]decane","IUPAC Name CAS-like Style":"(1S,6S,7S,8S)-1-methyl-3-methylene-8-propan-2-yltricyclo[4.4.0.02,7]decane","IUPAC Name Markup":"(1S,6S,7S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane","IUPAC Name Preferred":"(1S,6S,7S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane","IUPAC Name Systematic":"(1S,6S,7S,8S)-1-methyl-3-methylidene-8-propan-2-yl-tricyclo[4.4.0.02,7]decane","IUPAC Name Traditional":"(1S,6S,7S,8S)-8-isopropyl-1-methyl-3-methylene-tricyclo[4.4.0.02,7]decane",InChI:"1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",InChIKey:"UPVZPMJSRSWJHQ-XIQJJJERSA-N","Log P":4.7,"Exact Mass":204.18780077,"Molecular Formula":"C15H24","Molecular Weight":204.35,"Monoisotopic Mass":204.18780077,Charge:0,"Easy Name":"Β-copaene","Easy Category":"Alkene"},HSDB:{},ReducedFormula:"C15H24"},57346060:{PUBCHEM:{CID:"57346060","Compound Complexity":62.2,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Beryllium;selenate;tetrahydrate","IUPAC Name CAS-like Style":"Beryllium;selenate;tetrahydrate","IUPAC Name Markup":"Beryllium;selenate;tetrahydrate","IUPAC Name Preferred":"Beryllium;selenate;tetrahydrate","IUPAC Name Systematic":"Beryllium;selenate;tetrahydrate","IUPAC Name Traditional":"Beryllium;selenate;tetrahydrate",InChI:"1S/Be.H2O4Se.4H2O/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);4*1H2/q+2;;;;;/p-2",InChIKey:"DVMCMVCMLGMQKJ-UHFFFAOYSA-L","Exact Mass":224.95062,"Molecular Formula":"BeH8O8Se","Molecular Weight":224.04,"Monoisotopic Mass":224.95062,Charge:0,"Easy Name":"Beryllium selenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Be1H8O8Se1"},57346280:{PUBCHEM:{CID:"57346280","Compound Complexity":62.2,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Gold(3+);triselenate","IUPAC Name CAS-like Style":"Gold(3+);triselenate","IUPAC Name Markup":"Gold(3+);triselenate","IUPAC Name Preferred":"Gold(3+);triselenate","IUPAC Name Systematic":"Gold(3+);triselenate","IUPAC Name Traditional":"Gold(3+);triselenate",InChI:"1S/2Au.3H2O4Se/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",InChIKey:"XLIABUWFZDCBFA-UHFFFAOYSA-H","Exact Mass":823.62247,"Molecular Formula":"Au2O12Se3","Molecular Weight":822.8,"Monoisotopic Mass":825.62168,Charge:0,"Easy Name":"Gold selenate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Au2O12Se3"},57347849:{PUBCHEM:{CID:"57347849","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Germane;magnesium","IUPAC Name CAS-like Style":"Germane;magnesium","IUPAC Name Markup":"Germane;magnesium","IUPAC Name Preferred":"Germane;magnesium","IUPAC Name Systematic":"Germane;magnesium","IUPAC Name Traditional":"Germane;magnesium",InChI:"1S/GeH4.2Mg/h1H4;;",InChIKey:"WUPQFHIQUAJRNV-UHFFFAOYSA-N","Exact Mass":125.9225613,"Molecular Formula":"GeH4Mg2","Molecular Weight":125.27,"Monoisotopic Mass":125.9225613,Charge:0,"Easy Name":"Magnesium germanide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Ge1H4Mg2"},57348020:{PUBCHEM:{CID:"57348020","Compound Complexity":79.2,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":0,InChI:"1S/FHO3S.H3N/c1-5(2,3)4;/h(H,2,3,4);1H3",InChIKey:"HRXDYOKVWGTDPD-UHFFFAOYSA-N","Exact Mass":116.98959233,"Molecular Formula":"FH4NO3S","Molecular Weight":117.1,"Monoisotopic Mass":116.98959233,Charge:0,"Easy Name":"Ammonium fluorosulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"F1H4N1O3S1"},57348026:{PUBCHEM:{CID:"57348026","Compound Complexity":81.3,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":0,"IUPAC Name Allowed":"Lithium;sulfuric acid","IUPAC Name CAS-like Style":"Lithium;sulfuric acid","IUPAC Name Markup":"Lithium;sulfuric acid","IUPAC Name Preferred":"Lithium;sulfuric acid","IUPAC Name Systematic":"Lithium;sulfuric acid","IUPAC Name Traditional":"Lithium;sulfuric acid",InChI:"1S/Li.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)",InChIKey:"LFIWDPYJFLBDMX-UHFFFAOYSA-N","Exact Mass":104.98338315,"Molecular Formula":"H2LiO4S","Molecular Weight":105,"Monoisotopic Mass":104.98338315,Charge:0,"Easy Name":"Lithium hydrogen sulfate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"H2Li1O4S1"},57348226:{PUBCHEM:{CID:"57348226","Compound Complexity":0,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Beryllium;sodium;trifluoride","IUPAC Name CAS-like Style":"Beryllium;sodium;trifluoride","IUPAC Name Markup":"Beryllium;sodium;trifluoride","IUPAC Name Preferred":"Beryllium;sodium;trifluoride","IUPAC Name Systematic":"Beryllium;sodium;trifluoride","IUPAC Name Traditional":"Beryllium;sodium;trifluoride",InChI:"1S/Be.3FH.Na/h;3*1H;/q+2;;;;+1/p-3",InChIKey:"UWWHPIWQICVVFC-UHFFFAOYSA-K","Exact Mass":88.9971618,"Molecular Formula":"BeF3Na","Molecular Weight":88.997162,"Monoisotopic Mass":88.9971618,Charge:0,"Easy Name":"Sodium tetrafluoroberyllate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"Be1F3Na1"},57348353:{PUBCHEM:{CID:"57348353","Compound Complexity":15.5,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Cadmium(2+);diazide","IUPAC Name CAS-like Style":"Cadmium(2+);diazide","IUPAC Name Markup":"Cadmium(2+);diazide","IUPAC Name Preferred":"Cadmium(2+);diazide","IUPAC Name Systematic":"Cadmium(2+);diazide","IUPAC Name Traditional":"Cadmium(2+);diazide",InChI:"1S/Cd.2N3/c;2*1-3-2/q+2;2*-1",InChIKey:"DOXDQPGIFAJLKV-UHFFFAOYSA-N","Exact Mass":197.921809,"Molecular Formula":"CdN6","Molecular Weight":196.46,"Monoisotopic Mass":197.921809,Charge:0,"Easy Name":"Cadmium diazide","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Cd1N6"},57357578:{PUBCHEM:{CID:"57357578","Compound Complexity":1600,"Hydrogen Bond Acceptor":18,"Hydrogen Bond Donor":8,"Rotatable Bond":8,"IUPAC Name Allowed":"4,5-dioxo-3,6-bis[(2-phosphonophenyl)hydrazono]naphthalene-2,7-disulfonic acid","IUPAC Name CAS-like Style":"4,5-dioxo-3,6-bis[(2-phosphonophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid","IUPAC Name Markup":"4,5-dioxo-3,6-bis[(2-phosphonophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid","IUPAC Name Preferred":"4,5-dioxo-3,6-bis[(2-phosphonophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid","IUPAC Name Systematic":"4,5-bis(oxidanylidene)-3,6-bis[(2-phosphonophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid","IUPAC Name Traditional":"4,5-diketo-3,6-bis[(2-phosphonophenyl)hydrazono]naphthalene-2,7-disulfonic acid",InChI:"1S/C22H18N4O14P2S2/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34/h1-10,23-24H,(H2,29,30,31)(H2,32,33,34)(H,35,36,37)(H,38,39,40)",InChIKey:"CBYORIRORGHXLQ-UHFFFAOYSA-N","Log P":-.9,"Exact Mass":687.97361762,"Molecular Formula":"C22H18N4O14P2S2","Molecular Weight":688.5,"Monoisotopic Mass":687.97361762,Charge:0,"Easy Name":"4, 5-dioxo-3, 6-bis[ (2-phosphonophenyl)hydrazinylidene]naphthalene-2, 7-disulfonic acid","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C22H18N4O14P2S2"},57418167:{PUBCHEM:{CID:"57418167","Compound Complexity":72.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Bis(boranylidyne)rhenium","IUPAC Name CAS-like Style":"Bis(boranylidyne)rhenium","IUPAC Name Markup":"Bis(boranylidyne)rhenium","IUPAC Name Preferred":"Bis(boranylidyne)rhenium","IUPAC Name Systematic":"Bis(boranylidyne)rhenium","IUPAC Name Traditional":"Di(borylidyne)rhenium",InChI:"1S/2B.Re",InChIKey:"OLXPHXSOQYDZNT-UHFFFAOYSA-N","Exact Mass":208.974363,"Molecular Formula":"B2Re","Molecular Weight":207.83,"Monoisotopic Mass":208.974363,Charge:0,"Easy Name":"Rhenium diboride","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"B2Re1"},57449163:{PUBCHEM:{CID:"57449163","Compound Complexity":138,"Hydrogen Bond Acceptor":6,"Hydrogen Bond Donor":5,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R,3R,4R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name CAS-like Style":"(2R,3R,4R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Markup":"(2R,3R,4R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Preferred":"(2R,3R,4R)-2,3,4,5,6-pentahydroxyhexanal","IUPAC Name Systematic":"(2R,3R,4R)-2,3,4,5,6-pentakis(oxidanyl)hexanal","IUPAC Name Traditional":"(2R,3R,4R)-2,3,4,5,6-pentahydroxyhexanal",InChI:"1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4?,5-,6+/m0/s1",InChIKey:"GZCGUPFRVQAUEE-OBOOZECYSA-N","Log P":-2.9,"Exact Mass":180.0633881,"Molecular Formula":"C6H12O6","Molecular Weight":180.16,"Monoisotopic Mass":180.0633881,Charge:0,"Easy Name":"D-Allose","Easy Category":"Aldohexose"},HSDB:{},ReducedFormula:"C6H12O6"},57469208:{PUBCHEM:{CID:"57469208","Compound Complexity":437,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":6,"IUPAC Name Allowed":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f]benzofuran-8-yl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name CAS-like Style":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f]benzofuran-8-yl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Markup":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Preferred":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Systematic":"2-(4-bromanyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Traditional":"2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f]benzofuran-8-yl)ethyl-o-anisyl-amine",InChI:"1S/C20H22BrNO3/c1-23-17-5-3-2-4-13(17)12-22-9-6-14-15-7-10-25-20(15)18(21)16-8-11-24-19(14)16/h2-5,22H,6-12H2,1H3",InChIKey:"CUFCITSPWAZWHS-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":403.07831,"Molecular Formula":"C20H22BrNO3","Molecular Weight":404.3,"Monoisotopic Mass":403.07831,Charge:0,"Easy Name":"2CBFly-NBOMe","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"Br1C20H22N1O3"},57469209:{PUBCHEM:{CID:"57469209","Compound Complexity":321,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Markup":"N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"N-[(2-fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"N-[(2-fluorophenyl)methyl]-2-(4-iodanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"(2-fluorobenzyl)-[2-(4-iodo-2,5-dimethoxy-phenyl)ethyl]amine",InChI:"1S/C17H19FINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3",InChIKey:"LPBKNBHMWRBPHT-UHFFFAOYSA-N","Log P":3.9,"Exact Mass":415.04445,"Molecular Formula":"C17H19FINO2","Molecular Weight":415.24,"Monoisotopic Mass":415.04445,Charge:0,"Easy Name":"25I-NBF","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C17F1H19I1N1O2"},57472985:{PUBCHEM:{CID:"57472985","Compound Complexity":1810,"Hydrogen Bond Acceptor":15,"Hydrogen Bond Donor":12,"Rotatable Bond":7,"IUPAC Name Allowed":"2-[(1R,4S,8R,10S,13S,16S,34S)-13-[(1R,2R)-2,3-dihydroxy-1-methyl-propyl]-8-hydroxy-34-[(1S)-1-methylpropyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetic acid","IUPAC Name CAS-like Style":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetic acid","IUPAC Name Markup":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetic acid","IUPAC Name Preferred":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetic acid","IUPAC Name Systematic":"2-[(1R,4S,8R,10S,13S,16S,34S)-13-[(2R,3R)-3,4-bis(oxidanyl)butan-2-yl]-34-[(2S)-butan-2-yl]-8-oxidanyl-2,5,11,14,27,30,33,36,39-nonakis(oxidanylidene)-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]ethanoic acid","IUPAC Name Traditional":"2-[(1R,4S,8R,10S,13S,16S,34S)-13-[(1R,2R)-2,3-dihydroxy-1-methyl-propyl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaketo-34-[(1S)-1-methylpropyl]-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetic acid",InChI:"1S/C39H53N9O14S/c1-4-17(2)31-36(59)41-12-28(52)42-25-16-63(62)38-21(20-7-5-6-8-22(20)45-38)10-23(33(56)40-13-29(53)46-31)43-37(60)32(18(3)27(51)15-49)47-35(58)26-9-19(50)14-48(26)39(61)24(11-30(54)55)44-34(25)57/h5-8,17-19,23-27,31-32,45,49-51H,4,9-16H2,1-3H3,(H,40,56)(H,41,59)(H,42,52)(H,43,60)(H,44,57)(H,46,53)(H,47,58)(H,54,55)/t17-,18-,19+,23-,24-,25-,26-,27-,31-,32-,63?/m0/s1",InChIKey:"QCZXQEYEVLCQHL-MIBTZWEZSA-N","Log P":-3.4,"Exact Mass":903.3432686,"Molecular Formula":"C39H53N9O14S","Molecular Weight":904,"Monoisotopic Mass":903.3432686,Charge:0,"Easy Name":"Amanin","Easy Category":"Peptide"},HSDB:{},ReducedFormula:"C39H53N9O14S1"},57472988:{PUBCHEM:{CID:"57472988","Compound Complexity":1820,"Hydrogen Bond Acceptor":14,"Hydrogen Bond Donor":12,"Rotatable Bond":6,"IUPAC Name Allowed":"2-[(1R,4S,8R,10S,13S,16S,34S)-8,22-dihydroxy-13-[(1R,2S)-2-hydroxy-1-methyl-propyl]-34-[(1S)-1-methylpropyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide","IUPAC Name CAS-like Style":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-8,22-dihydroxy-13-[(2R,3S)-3-hydroxybutan-2-yl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide","IUPAC Name Markup":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-8,22-dihydroxy-13-[(2R,3S)-3-hydroxybutan-2-yl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide","IUPAC Name Preferred":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-8,22-dihydroxy-13-[(2R,3S)-3-hydroxybutan-2-yl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide","IUPAC Name Systematic":"2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-butan-2-yl]-8,22-bis(oxidanyl)-13-[(2R,3S)-3-oxidanylbutan-2-yl]-2,5,11,14,27,30,33,36,39-nonakis(oxidanylidene)-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]ethanamide","IUPAC Name Traditional":"2-[(1R,4S,8R,10S,13S,16S,34S)-8,22-dihydroxy-13-[(1R,2S)-2-hydroxy-1-methyl-propyl]-2,5,11,14,27,30,33,36,39-nonaketo-34-[(1S)-1-methylpropyl]-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide",InChI:"1S/C39H54N10O13S/c1-5-16(2)31-36(59)42-12-29(54)43-26-15-63(62)38-22(21-7-6-19(51)8-23(21)46-38)10-24(33(56)41-13-30(55)47-31)44-37(60)32(17(3)18(4)50)48-35(58)27-9-20(52)14-49(27)39(61)25(11-28(40)53)45-34(26)57/h6-8,16-18,20,24-27,31-32,46,50-52H,5,9-15H2,1-4H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t16-,17-,18-,20+,24-,25-,26-,27-,31-,32-,63?/m0/s1",InChIKey:"WVHGJJRMKGDTEC-ZUROAWGWSA-N","Log P":-3.4,"Exact Mass":902.35925301,"Molecular Formula":"C39H54N10O13S","Molecular Weight":903,"Monoisotopic Mass":902.35925301,Charge:0,"Easy Name":"Gamma-Amanitin","Easy Category":"Peptide"},HSDB:{},ReducedFormula:"C39H54N10O13S1"},57501499:{PUBCHEM:{CID:"57501499","Compound Complexity":173,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":5,"IUPAC Name Allowed":"2-(methylamino)-1-phenyl-pentan-1-one","IUPAC Name CAS-like Style":"2-(methylamino)-1-phenyl-1-pentanone","IUPAC Name Markup":"2-(methylamino)-1-phenylpentan-1-one","IUPAC Name Preferred":"2-(methylamino)-1-phenylpentan-1-one","IUPAC Name Systematic":"2-(methylamino)-1-phenyl-pentan-1-one","IUPAC Name Traditional":"2-(methylamino)-1-phenyl-pentan-1-one",InChI:"1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3",InChIKey:"WLIWIUNEJRETFX-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":191.13101417,"Molecular Formula":"C12H17NO","Molecular Weight":191.27,"Monoisotopic Mass":191.13101417,Charge:0,"Easy Name":"Pentedrone","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C12H17N1O1"},57507899:{PUBCHEM:{CID:"57507899","Compound Complexity":386,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":1,"Rotatable Bond":7,"IUPAC Name Allowed":"N-(1,3-benzodioxol-4-ylmethyl)-2-(4-iodo-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name CAS-like Style":"N-(1,3-benzodioxol-4-ylmethyl)-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Markup":"N-(1,3-benzodioxol-4-ylmethyl)-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Preferred":"N-(1,3-benzodioxol-4-ylmethyl)-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine","IUPAC Name Systematic":"N-(1,3-benzodioxol-4-ylmethyl)-2-(4-iodanyl-2,5-dimethoxy-phenyl)ethanamine","IUPAC Name Traditional":"1,3-benzodioxol-4-ylmethyl-[2-(4-iodo-2,5-dimethoxy-phenyl)ethyl]amine",InChI:"1S/C18H20INO4/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15/h3-5,8-9,20H,6-7,10-11H2,1-2H3",InChIKey:"NJNMIPDEUMTYNV-UHFFFAOYSA-N","Log P":3.7,"Exact Mass":441.0437,"Molecular Formula":"C18H20INO4","Molecular Weight":441.3,"Monoisotopic Mass":441.0437,Charge:0,"Easy Name":"25I-NBMD","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C18H20I1N1O4"},60208479:{PUBCHEM:{CID:"60208479","Compound Complexity":377,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":5,"IUPAC Name Allowed":"[3-[2-(trimethylammonio)ethyl]-1H-indol-4-yl] hydrogen phosphate","IUPAC Name CAS-like Style":"[3-[2-(trimethylammonio)ethyl]-1H-indol-4-yl] hydrogen phosphate","IUPAC Name Markup":"[3-[2-(trimethylazaniumyl)ethyl]-1H-indol-4-yl] hydrogen phosphate","IUPAC Name Preferred":"[3-[2-(trimethylazaniumyl)ethyl]-1H-indol-4-yl] hydrogen phosphate","IUPAC Name Systematic":"[3-[2-(trimethylazaniumyl)ethyl]-1H-indol-4-yl] hydrogen phosphate","IUPAC Name Traditional":"[3-[2-(trimethylammonio)ethyl]-1H-indol-4-yl] hydrogen phosphate",InChI:"1S/C13H19N2O4P/c1-15(2,3)8-7-10-9-14-11-5-4-6-12(13(10)11)19-20(16,17)18/h4-6,9,14H,7-8H2,1-3H3,(H-,16,17,18)",InChIKey:"OIIPFLWAQQNCHA-UHFFFAOYSA-N","Log P":.6,"Exact Mass":298.1082441,"Molecular Formula":"C13H19N2O4P","Molecular Weight":298.27,"Monoisotopic Mass":298.1082441,Charge:0,"Easy Name":"Aeruginascin","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C13H19N2O4P1"},67045856:{PUBCHEM:{CID:"67045856","Compound Complexity":101,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,3-trifluorocyclohexane","IUPAC Name CAS-like Style":"1,1,3-trifluorocyclohexane","IUPAC Name Markup":"1,1,3-trifluorocyclohexane","IUPAC Name Preferred":"1,1,3-trifluorocyclohexane","IUPAC Name Systematic":"1,1,3-tris(fluoranyl)cyclohexane","IUPAC Name Traditional":"1,1,3-trifluorocyclohexane",InChI:"1S/C6H9F3/c7-5-2-1-3-6(8,9)4-5/h5H,1-4H2",InChIKey:"WXTIMCAGUQZPRC-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":138.06563478,"Molecular Formula":"C6H9F3","Molecular Weight":138.13,"Monoisotopic Mass":138.06563478,Charge:0,"Easy Name":"1, 1, 3-trifluorocyclohexane","Easy Category":"Organofluorides"},HSDB:{},ReducedFormula:"C6F3H9"},67046212:{PUBCHEM:{CID:"67046212","Compound Complexity":90.5,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"1,1,4-trifluorocyclohexane","IUPAC Name CAS-like Style":"1,1,4-trifluorocyclohexane","IUPAC Name Markup":"1,1,4-trifluorocyclohexane","IUPAC Name Preferred":"1,1,4-trifluorocyclohexane","IUPAC Name Systematic":"1,1,4-tris(fluoranyl)cyclohexane","IUPAC Name Traditional":"1,1,4-trifluorocyclohexane",InChI:"1S/C6H9F3/c7-5-1-3-6(8,9)4-2-5/h5H,1-4H2",InChIKey:"LBIQZIJRSOGYPO-UHFFFAOYSA-N","Log P":2.5,"Exact Mass":138.06563478,"Molecular Formula":"C6H9F3","Molecular Weight":138.13,"Monoisotopic Mass":138.06563478,Charge:0,"Easy Name":"1, 1, 4-Trifluorocyclohexane","Easy Category":"Organofluorides"},HSDB:{},ReducedFormula:"C6F3H9"},71306378:{PUBCHEM:{CID:"71306378","Compound Complexity":616,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":5,"IUPAC Name Allowed":"(5R,8R,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,9,13,14-pentamethyl-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name CAS-like Style":"(5R,8R,9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Markup":"(5R,8R,9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Preferred":"(5R,8R,9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Systematic":"(5R,8R,9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene","IUPAC Name Traditional":"(5R,8R,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,9,13,14-pentamethyl-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene",InChI:"1S/C30H54/c1-21(2)11-9-12-22(3)23-16-18-30(8)26-15-14-24-25(13-10-17-27(24,4)5)28(26,6)19-20-29(23,30)7/h21-26H,9-20H2,1-8H3/t22-,23-,24-,25-,26-,28+,29-,30+/m1/s1",InChIKey:"ZYZJWAJOTPNVPI-AUAIAXQGSA-N","Log P":12.1,"Exact Mass":414.42255174,"Molecular Formula":"C30H54","Molecular Weight":414.7,"Monoisotopic Mass":414.42255174,Charge:0,"Easy Name":"Cucurbitane","Easy Category":"Saponins"},HSDB:{},ReducedFormula:"C30H54"},71307455:{PUBCHEM:{CID:"71307455","Compound Complexity":590,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":6,"Rotatable Bond":8,"IUPAC Name Allowed":"Methyl 2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxybenzoate","IUPAC Name CAS-like Style":"2-[[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]benzoic acid methyl ester","IUPAC Name Markup":"Methyl 2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybenzoate","IUPAC Name Preferred":"Methyl 2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybenzoate","IUPAC Name Systematic":"Methyl 2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxybenzoate","IUPAC Name Traditional":"2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxybenzoic acid methyl ester",InChI:"1S/C19H26O12/c1-27-17(26)8-4-2-3-5-9(8)29-19-16(25)14(23)13(22)11(31-19)7-28-18-15(24)12(21)10(6-20)30-18/h2-5,10-16,18-25H,6-7H2,1H3/t10-,11-,12+,13-,14+,15-,16-,18-,19-/m1/s1",InChIKey:"XJOQBSUAJMEVGS-KFRLPSNLSA-N","Log P":-1.9,"Exact Mass":446.14242627,"Molecular Formula":"C19H26O12","Molecular Weight":446.4,"Monoisotopic Mass":446.14242627,Charge:0,"Easy Name":"Gaultherin","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C19H26O12"},71310637:{PUBCHEM:{CID:"71310637","Compound Complexity":3.2,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Iron;phosphane","IUPAC Name CAS-like Style":"Iron;phosphine","IUPAC Name Markup":"Iron;phosphane","IUPAC Name Preferred":"Iron;phosphane","IUPAC Name Systematic":"Iron;phosphane","IUPAC Name Traditional":"Iron;phosphine",InChI:"1S/3Fe.H3P/h;;;1H3",InChIKey:"VAKIVKMUBMZANL-UHFFFAOYSA-N","Exact Mass":201.802044,"Molecular Formula":"Fe3H3P","Molecular Weight":201.53,"Monoisotopic Mass":201.802044,Charge:0,"Easy Name":"Iron phosphide, Fe3P","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Fe3H3P1"},71311066:{PUBCHEM:{CID:"71311066","Compound Complexity":40.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/2Fe.P",InChIKey:"GNTCPDPNMAMZFW-UHFFFAOYSA-N","Exact Mass":142.843633,"Molecular Formula":"Fe2P","Molecular Weight":142.66,"Monoisotopic Mass":142.843633,Charge:0,"Easy Name":"Iron phosphide, Fe2P","Easy Category":"Binary compound"},HSDB:{"Color And Form":{Value:"Gray, hexagonal needles or blue-gray powder"},Density:{Value:"6.8 g/cu cm"},"Melting Point":{Value:"1370 °C"},Solubility:{Value:"Insoluble in water, dilute acid, alkalis"},Uses:{Value:"Iron and steel manufacture."}},ReducedFormula:"Fe2P1"},71311195:{PUBCHEM:{CID:"71311195","Compound Complexity":18.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;dioxido(oxo)titanium","IUPAC Name CAS-like Style":"Dioxido(oxo)titanium;iron(2+)","IUPAC Name Markup":"Dioxido(oxo)titanium;iron(2+)","IUPAC Name Preferred":"Dioxido(oxo)titanium;iron(2+)","IUPAC Name Systematic":"Bis(oxidanidyl)-oxidanylidene-titanium;iron(2+)","IUPAC Name Traditional":"Ferrous;keto(dioxido)titanium",InChI:"1S/Fe.3O.Ti/q+2;;2*-1;",InChIKey:"WIBXORLWTCPWFI-UHFFFAOYSA-N","Exact Mass":151.86762,"Molecular Formula":"FeO3Ti","Molecular Weight":151.71,"Monoisotopic Mass":151.86762,Charge:0,"Easy Name":"Iron (II) titanate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Fe1O3Ti1"},71358635:{PUBCHEM:{CID:"71358635","Compound Complexity":243,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":2,"IUPAC Name Allowed":"2-[(1R,3S)-2,2,3-trimethyl-4-oxo-cyclopentyl]acetic acid","IUPAC Name CAS-like Style":"2-[(1R,3S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid","IUPAC Name Markup":"2-[(1R,3S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid","IUPAC Name Preferred":"2-[(1R,3S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid","IUPAC Name Systematic":"2-[(1R,3S)-2,2,3-trimethyl-4-oxidanylidene-cyclopentyl]ethanoic acid","IUPAC Name Traditional":"2-[(1R,3S)-4-keto-2,2,3-trimethyl-cyclopentyl]acetic acid",InChI:"1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)/t6-,7-/m1/s1",InChIKey:"VRCGDJCVKWWRME-RNFRBKRXSA-N","Log P":1.2,"Exact Mass":184.10994437,"Molecular Formula":"C10H16O3","Molecular Weight":184.23,"Monoisotopic Mass":184.10994437,Charge:0,"Easy Name":"Alpha-Campholonic acid","Easy Category":"Carboxylic acid"},HSDB:{},ReducedFormula:"C10H16O3"},71360850:{PUBCHEM:{CID:"71360850","Compound Complexity":55,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Magnesium;bromide;phenoxide","IUPAC Name CAS-like Style":"Magnesium;bromide;phenoxide","IUPAC Name Markup":"Magnesium;bromide;phenoxide","IUPAC Name Preferred":"Magnesium;bromide;phenoxide","IUPAC Name Systematic":"Magnesium;bromide;phenoxide","IUPAC Name Traditional":"Magnesium;bromide;phenoxide",InChI:"1S/C6H6O.BrH.Mg/c7-6-4-2-1-3-5-6;;/h1-5,7H;1H;/q;;+2/p-2",InChIKey:"MDICRVQYTYKOIL-UHFFFAOYSA-L","Exact Mass":195.93742,"Molecular Formula":"C6H5BrMgO","Molecular Weight":197.31,"Monoisotopic Mass":195.93742,Charge:0,"Easy Name":"Magnesium, bromophenoxy-","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"Br1C6H5Mg1O1"},71361165:{PUBCHEM:{CID:"71361165","Compound Complexity":55,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":0,"Rotatable Bond":1,"IUPAC Name Allowed":"Magnesium;chloride;phenoxide","IUPAC Name CAS-like Style":"Magnesium;chloride;phenoxide","IUPAC Name Markup":"Magnesium;chloride;phenoxide","IUPAC Name Preferred":"Magnesium;chloride;phenoxide","IUPAC Name Systematic":"Magnesium;chloride;phenoxide","IUPAC Name Traditional":"Magnesium;chloride;phenoxide",InChI:"1S/C6H6O.ClH.Mg/c7-6-4-2-1-3-5-6;;/h1-5,7H;1H;/q;;+2/p-2",InChIKey:"YJCTUQFSSZSZPO-UHFFFAOYSA-L","Exact Mass":151.9879342,"Molecular Formula":"C6H5ClMgO","Molecular Weight":152.86,"Monoisotopic Mass":151.9879342,Charge:0,"Easy Name":"Magnesium, chlorophenoxy-","Easy Category":"Phenols"},HSDB:{},ReducedFormula:"C6Cl1H5Mg1O1"},71448975:{PUBCHEM:{CID:"71448975","Compound Complexity":355,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":2,"Rotatable Bond":10,"IUPAC Name Allowed":"(E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-9-methyl-dec-6-enamide","IUPAC Name CAS-like Style":"(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyl-6-decenamide","IUPAC Name Markup":"(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-6-enamide","IUPAC Name Preferred":"(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-6-enamide","IUPAC Name Systematic":"(E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-9-methyl-dec-6-enamide","IUPAC Name Traditional":"(E)-9-methyl-N-vanillyl-dec-6-enamide",InChI:"1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h5,7,11-13,15,21H,4,6,8-10,14H2,1-3H3,(H,20,22)/b7-5+",InChIKey:"JZNZUOZRIWOBGG-FNORWQNLSA-N","Log P":4,"Exact Mass":319.2147438,"Molecular Formula":"C19H29NO3","Molecular Weight":319.4,"Monoisotopic Mass":319.2147438,Charge:0,"Easy Name":"Homocapsaicin I","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C19H29N1O3"},71587122:{PUBCHEM:{CID:"71587122","Compound Complexity":50.8,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dichloro-[(Z)-2-chlorovinyl]arsane","IUPAC Name CAS-like Style":"Dichloro-[(Z)-2-chloroethenyl]arsine","IUPAC Name Markup":"Dichloro-[(Z)-2-chloroethenyl]arsane","IUPAC Name Preferred":"Dichloro-[(Z)-2-chloroethenyl]arsane","IUPAC Name Systematic":"Bis(chloranyl)-[(Z)-2-chloranylethenyl]arsane","IUPAC Name Traditional":"Dichloro-[(Z)-2-chlorovinyl]arsine",InChI:"1S/C2H2AsCl3/c4-2-1-3(5)6/h1-2H/b2-1-",InChIKey:"GIKLTQKNOXNBNY-UPHRSURJSA-N","Exact Mass":205.843803,"Molecular Formula":"C2H2AsCl3","Molecular Weight":207.31,"Monoisotopic Mass":205.843803,Charge:0,"Easy Name":"Cis-2-Chlorovinyldichloroarsine","Easy Category":"Organochlorides"},HSDB:{},ReducedFormula:"As1C2Cl3H2"},71776598:{PUBCHEM:{CID:"71776598","Compound Complexity":10.3,"Hydrogen Bond Acceptor":2,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Hydroxy(oxo)cerium","IUPAC Name CAS-like Style":"Hydroxy(oxo)cerium","IUPAC Name Markup":"Hydroxy(oxo)cerium","IUPAC Name Preferred":"Hydroxy(oxo)cerium","IUPAC Name Systematic":"Oxidanyl(oxidanylidene)cerium","IUPAC Name Traditional":"Hydroxy(keto)cerium",InChI:"1S/Ce.H2O.O/h;1H2;/q+1;;/p-1",InChIKey:"ZQOOYUDARUZCCF-UHFFFAOYSA-M","Exact Mass":172.9031,"Molecular Formula":"CeHO2","Molecular Weight":173.12,"Monoisotopic Mass":172.9031,Charge:0,"Easy Name":"Hydroxy (oxo)cerium","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Ce1H1O2"},72720438:{PUBCHEM:{CID:"72720438","Compound Complexity":18.3,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/2Ca.Si",InChIKey:"NGXPJZQTKPQTAO-UHFFFAOYSA-N","Exact Mass":107.9021083,"Molecular Formula":"Ca2Si","Molecular Weight":108.24,"Monoisotopic Mass":107.9021083,Charge:0,"Easy Name":"Dicalcium Silicide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Ca2Si1"},73357742:{PUBCHEM:{CID:"73357742","Compound Complexity":10.8,"Hydrogen Bond Acceptor":3,"Hydrogen Bond Donor":1,"Rotatable Bond":0,"IUPAC Name Allowed":"Disodium;hydrogen arsorite","IUPAC Name CAS-like Style":"Disodium;hydrogen arsorite","IUPAC Name Markup":"Disodium;hydrogen arsorite","IUPAC Name Preferred":"Disodium;hydrogen arsorite","IUPAC Name Systematic":"Disodium;hydrogen arsorite","IUPAC Name Traditional":"Disodium;hydrogen arsorite",InChI:"1S/AsHO3.2Na/c2-1(3)4;;/h2H;;/q-2;2*+1",InChIKey:"VFSRPJPSGQDOID-UHFFFAOYSA-N","Exact Mass":169.893702,"Molecular Formula":"AsHNa2O3","Molecular Weight":169.907,"Monoisotopic Mass":169.893702,Charge:0,"Easy Name":"Disodium hydrogen arsenite","Easy Category":"Acid salt"},HSDB:{},ReducedFormula:"As1H1Na2O3"},73357794:{PUBCHEM:{CID:"73357794","Compound Complexity":20.5,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Ferrous;disodium;methanone","IUPAC Name CAS-like Style":"Disodium;iron(2+);methanone","IUPAC Name Markup":"Disodium;iron(2+);methanone","IUPAC Name Preferred":"Disodium;iron(2+);methanone","IUPAC Name Systematic":"Disodium;iron(2+);methanone","IUPAC Name Traditional":"Ferrous;disodium;methanone",InChI:"1S/4CHO.Fe.2Na/c4*1-2;;;/h4*1H;;;/q4*-1;+2;2*+1",InChIKey:"JSMIGIAJTPRDEQ-UHFFFAOYSA-N","Exact Mass":217.925433,"Molecular Formula":"C4H4FeNa2O4","Molecular Weight":217.9,"Monoisotopic Mass":217.925433,Charge:0,"Easy Name":"Disodium tetracarbonylferrate","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C4Fe1H4Na2O4"},85610311:{PUBCHEM:{CID:"85610311","Compound Complexity":0,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Magnesium;tin","IUPAC Name CAS-like Style":"Magnesium;tin","IUPAC Name Markup":"Magnesium;tin","IUPAC Name Preferred":"Magnesium;tin","IUPAC Name Systematic":"Magnesium;tin","IUPAC Name Traditional":"Magnesium;tin",InChI:"1S/2Mg.Sn",InChIKey:"FFOCZKNBIKOEDQ-UHFFFAOYSA-N","Exact Mass":167.872285,"Molecular Formula":"Mg2Sn","Molecular Weight":167.32,"Monoisotopic Mass":167.872285,Charge:0,"Easy Name":"Magnesium stannide","Easy Category":"Binary compound"},HSDB:{},ReducedFormula:"Mg2Sn1"},90476909:{PUBCHEM:{CID:"90476909","Compound Complexity":1550,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":5,"Rotatable Bond":0,"IUPAC Name Allowed":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name CAS-like Style":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Markup":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Preferred":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Systematic":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-chloranyl-3,7,9,11,17,21-hexamethyl-4,10,14,20-tetrakis(oxidanyl)-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Traditional":"(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone",InChI:"1S/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7+,11-9-,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,35-/m0/s1",InChIKey:"PGLCKEFYXCGUGA-DLCSPTBOSA-N","Log P":5.7,"Exact Mass":705.2704597,"Molecular Formula":"C39H44ClNO9","Molecular Weight":706.2,"Monoisotopic Mass":705.2704597,Charge:0,"Easy Name":"Naphthomycin B","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C39Cl1H44N1O9"},91868484:{PUBCHEM:{CID:"91868484","Compound Complexity":0,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":0,"IUPAC Name Allowed":"Germanium(4+);tetrahydroxide","IUPAC Name CAS-like Style":"Germanium(4+);tetrahydroxide","IUPAC Name Markup":"Germanium(4+);tetrahydroxide","IUPAC Name Preferred":"Germanium(4+);tetrahydroxide","IUPAC Name Systematic":"Germanium(4+);tetrahydroxide","IUPAC Name Traditional":"Germanium(4+);tetrahydroxide",InChI:"1S/Ge.4H2O/h;4*1H2/q+4;;;;/p-4",InChIKey:"QGWJOWGIOUGHSP-UHFFFAOYSA-J","Exact Mass":141.9321364,"Molecular Formula":"GeH4O4","Molecular Weight":140.66,"Monoisotopic Mass":141.9321364,Charge:0,"Easy Name":"Germanium tetrahydroxide","Easy Category":"Hydroxide"},HSDB:{},ReducedFormula:"Ge1H4O4"},92028193:{PUBCHEM:{CID:"92028193","Compound Complexity":37.1,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Pentabromorhenium","IUPAC Name CAS-like Style":"Pentabromorhenium","IUPAC Name Markup":"Pentabromorhenium","IUPAC Name Preferred":"Pentabromorhenium","IUPAC Name Systematic":"Pentakis(bromanyl)rhenium","IUPAC Name Traditional":"Pentabromorhenium",InChI:"1S/5BrH.Re/h5*1H;/q;;;;;+5/p-5",InChIKey:"ZLWRQEWKBJCVFN-UHFFFAOYSA-I","Exact Mass":585.54334,"Molecular Formula":"Br5Re","Molecular Weight":585.73,"Monoisotopic Mass":581.54744,Charge:0,"Easy Name":"Pentabromorhenium","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"Br5Re1"},100926541:{PUBCHEM:{CID:"100926541","Compound Complexity":705,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":4,"Rotatable Bond":4,"IUPAC Name Allowed":"(1aS,1bS,6aS,7S,7aR)-1b,4-dimethyl-7-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one","IUPAC Name CAS-like Style":"(1aS,1bS,6aS,7S,7aR)-1b,4-dimethyl-7-[2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propan-2-yl]-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one","IUPAC Name Markup":"(1aS,1bS,6aS,7S,7aR)-1b,4-dimethyl-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one","IUPAC Name Preferred":"(1aS,1bS,6aS,7S,7aR)-1b,4-dimethyl-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one","IUPAC Name Systematic":"(1aS,1bS,6aS,7S,7aR)-7-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropan-2-yl]-1b,4-dimethyl-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one","IUPAC Name Traditional":"(1aS,1bS,6aS,7S,7aR)-1b,4-dimethyl-7-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one",InChI:"1S/C21H32O8/c1-9-5-6-10-13(17-18(28-17)21(10,4)12(23)7-9)20(2,3)29-19-16(26)15(25)14(24)11(8-22)27-19/h7,10-11,13-19,22,24-26H,5-6,8H2,1-4H3/t10-,11+,13-,14+,15-,16+,17+,18+,19-,21+/m0/s1",InChIKey:"AUAJDLKIRGSSTH-FBNONBAFSA-N","Log P":-.2,"Exact Mass":412.20971799,"Molecular Formula":"C21H32O8","Molecular Weight":412.5,"Monoisotopic Mass":412.20971799,Charge:0,"Easy Name":"Tinocordifolioside","Easy Category":"Glycoside"},HSDB:{},ReducedFormula:"C21H32O8"},101277405:{PUBCHEM:{CID:"101277405","Compound Complexity":617,"Hydrogen Bond Acceptor":8,"Hydrogen Bond Donor":2,"Rotatable Bond":2,"IUPAC Name Allowed":"(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3,3a-diol","IUPAC Name CAS-like Style":"(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3,3a-diol","IUPAC Name Markup":"(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3,3a-diol","IUPAC Name Preferred":"(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3,3a-diol","IUPAC Name Systematic":"(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3,3a-diol","IUPAC Name Traditional":"(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3,3a-diol",InChI:"1S/C20H18O8/c21-19-8-23-18(11-1-3-14-16(5-11)26-9-24-14)13(19)7-28-20(19,22)12-2-4-15-17(6-12)27-10-25-15/h1-6,13,18,21-22H,7-10H2/t13-,18-,19-,20+/m1/s1",InChIKey:"WQZHIPWFEKLEJM-AQWZQNETSA-N","Log P":.9,"Exact Mass":386.10016754,"Molecular Formula":"C20H18O8","Molecular Weight":386.4,"Monoisotopic Mass":386.10016754,Charge:0,"Easy Name":"Arboreol","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C20H18O8"},101458407:{PUBCHEM:{CID:"101458407","Compound Complexity":683,"Hydrogen Bond Acceptor":1,"Hydrogen Bond Donor":0,"Rotatable Bond":3,"IUPAC Name Allowed":"1,4,8-triphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene","IUPAC Name CAS-like Style":"1,4,8-triphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene","IUPAC Name Markup":"1,4,8-triphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene","IUPAC Name Preferred":"1,4,8-triphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene","IUPAC Name Systematic":"1,4,8-triphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene","IUPAC Name Traditional":"1,4,8-triphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene",InChI:"1S/C32H22O/c1-4-12-23(13-5-1)24-20-21-29-30(22-24)32(26-16-8-3-9-17-26)28-19-11-10-18-27(28)31(29,33-32)25-14-6-2-7-15-25/h1-22H",InChIKey:"YDNOJPMNVSSFJP-UHFFFAOYSA-N","Log P":7.2,"Exact Mass":422.16706533,"Molecular Formula":"C32H22O","Molecular Weight":422.5,"Monoisotopic Mass":422.16706533,Charge:0,"Easy Name":"2, 9, 10-Triphenyl-9, 10-epoxy-9, 10-dihydroanthracene","Easy Category":"Aromatic hydrocarbon"},HSDB:{},ReducedFormula:"C32H22O1"},101611533:{PUBCHEM:{CID:"101611533","Compound Complexity":196,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/2K.H2O6S3/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",InChIKey:"WAIZSJUARDIDFV-UHFFFAOYSA-L","Exact Mass":269.8131142,"Molecular Formula":"K2O6S3","Molecular Weight":270.4,"Monoisotopic Mass":269.8131142,Charge:0,"Easy Name":"Potassium trithionate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K2O6S3"},101611534:{PUBCHEM:{CID:"101611534","Compound Complexity":222,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":0,"Rotatable Bond":2,InChI:"1S/2K.H2O6S5/c;;1-10(2,3)8-7-9-11(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",InChIKey:"LLXIIVZIHGJSGU-UHFFFAOYSA-L","Exact Mass":333.7572566,"Molecular Formula":"K2O6S5","Molecular Weight":334.5,"Monoisotopic Mass":333.7572566,Charge:0,"Easy Name":"Potassium Pentathionate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"K2O6S5"},101625671:{PUBCHEM:{CID:"101625671","Compound Complexity":422,"Hydrogen Bond Acceptor":0,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"(1R,2S,3R,8S,9S,12R)-2,4,4,8,13-pentamethyltetracyclo[10.2.1.01,9.03,8]pentadecane","IUPAC Name CAS-like Style":"(1R,2S,3R,8S,9S,12R)-2,4,4,8,13-pentamethyltetracyclo[10.2.1.01,9.03,8]pentadecane","IUPAC Name Markup":"(1R,2S,3R,8S,9S,12R)-2,4,4,8,13-pentamethyltetracyclo[10.2.1.01,9.03,8]pentadecane","IUPAC Name Preferred":"(1R,2S,3R,8S,9S,12R)-2,4,4,8,13-pentamethyltetracyclo[10.2.1.01,9.03,8]pentadecane","IUPAC Name Systematic":"(1R,2S,3R,8S,9S,12R)-2,4,4,8,13-pentamethyltetracyclo[10.2.1.01,9.03,8]pentadecane","IUPAC Name Traditional":"(1R,2S,3R,8S,9S,12R)-2,4,4,8,13-pentamethyltetracyclo[10.2.1.01,9.03,8]pentadecane",InChI:"1S/C20H34/c1-13-11-20-12-15(13)7-8-16(20)19(5)10-6-9-18(3,4)17(19)14(20)2/h13-17H,6-12H2,1-5H3/t13?,14-,15+,16-,17+,19-,20+/m0/s1",InChIKey:"YYXCWKIIHSUKTR-CVFZCQCWSA-N","Log P":7.4,"Exact Mass":274.2660511,"Molecular Formula":"C20H34","Molecular Weight":274.5,"Monoisotopic Mass":274.2660511,Charge:0,"Easy Name":"Ent-Gibberellane","Easy Category":"Hormone"},HSDB:{},ReducedFormula:"C20H34"},101636762:{PUBCHEM:{CID:"101636762","Compound Complexity":1490,"Hydrogen Bond Acceptor":9,"Hydrogen Bond Donor":5,"Rotatable Bond":0,"IUPAC Name Allowed":"(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name CAS-like Style":"(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Markup":"(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Preferred":"(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Systematic":"(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-3,7,9,11,17,21-hexamethyl-4,10,14,20-tetrakis(oxidanyl)-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone","IUPAC Name Traditional":"(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone",InChI:"1S/C39H45NO9/c1-21-11-9-7-8-10-12-33(45)40-29-19-32(44)34-28(39(29)49)18-26(6)38(48)35(34)37(47)25(5)17-24(4)36(46)23(3)14-16-27(41)15-13-22(2)31(43)20-30(21)42/h7-14,16-19,21,23-24,27,30,36,41-42,46,48H,15,20H2,1-6H3,(H,40,45)/b8-7-,11-9-,12-10-,16-14-,22-13-,25-17-/t21-,23-,24-,27-,30-,36-/m0/s1",InChIKey:"AZDWXKPJAPDNFY-HKORKPFASA-N","Log P":4.9,"Exact Mass":671.30943203,"Molecular Formula":"C39H45NO9","Molecular Weight":671.8,"Monoisotopic Mass":671.30943203,Charge:0,"Easy Name":"Naphthomycin C","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C39H45N1O9"},101636764:{PUBCHEM:{CID:"101636764","Compound Complexity":1920,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":6,"Rotatable Bond":6,"IUPAC Name Allowed":"Methyl (2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulfanyl]propanoate","IUPAC Name CAS-like Style":"(2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]thio]propanoic acid methyl ester","IUPAC Name Markup":"Methyl (2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulfanyl]propanoate","IUPAC Name Preferred":"Methyl (2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulfanyl]propanoate","IUPAC Name Systematic":"Methyl (2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-3,7,9,11,17,21,27-heptamethyl-4,10,14,20-tetrakis(oxidanyl)-6,18,28,32,34-pentakis(oxidanylidene)-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulfanyl]propanoate","IUPAC Name Traditional":"(2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-6,18,28,32,34-pentaketo-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]thio]propionic acid methyl ester",InChI:"1S/C46H56N2O12S/c1-23-13-11-10-12-14-26(4)45(58)48-38-42(56)32-20-29(7)41(55)37(36(32)43(57)44(38)61-22-33(46(59)60-9)47-30(8)49)40(54)28(6)19-27(5)39(53)25(3)16-18-31(50)17-15-24(2)35(52)21-34(23)51/h10-16,18-20,23,25,27,31,33-34,39,50-51,53,55H,17,21-22H2,1-9H3,(H,47,49)(H,48,58)/b12-10-,13-11-,18-16-,24-15-,26-14-,28-19-/t23-,25-,27-,31-,33-,34-,39-/m0/s1",InChIKey:"PHYCYDGQUYYBOJ-CKHIBZAJSA-N","Log P":5.2,"Exact Mass":860.35539642,"Molecular Formula":"C46H56N2O12S","Molecular Weight":861,"Monoisotopic Mass":860.35539642,Charge:0,"Easy Name":"Naphthomycin F","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C46H56N2O12S1"},101636765:{PUBCHEM:{CID:"101636765","Compound Complexity":1910,"Hydrogen Bond Acceptor":13,"Hydrogen Bond Donor":7,"Rotatable Bond":5,"IUPAC Name Allowed":"(2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulfanyl]propanoic acid","IUPAC Name CAS-like Style":"(2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]thio]propanoic acid","IUPAC Name Markup":"(2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulfanyl]propanoic acid","IUPAC Name Preferred":"(2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulfanyl]propanoic acid","IUPAC Name Systematic":"(2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-3,7,9,11,17,21,27-heptamethyl-4,10,14,20-tetrakis(oxidanyl)-6,18,28,32,34-pentakis(oxidanylidene)-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulfanyl]propanoic acid","IUPAC Name Traditional":"(2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-4,10,14,20-tetrahydroxy-6,18,28,32,34-pentaketo-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]thio]propionic acid",InChI:"1S/C45H54N2O12S/c1-22-12-10-9-11-13-25(4)44(57)47-37-41(55)31-19-28(7)40(54)36(35(31)42(56)43(37)60-21-32(45(58)59)46-29(8)48)39(53)27(6)18-26(5)38(52)24(3)15-17-30(49)16-14-23(2)34(51)20-33(22)50/h9-15,17-19,22,24,26,30,32-33,38,49-50,52,54H,16,20-21H2,1-8H3,(H,46,48)(H,47,57)(H,58,59)/b11-9-,12-10-,17-15-,23-14-,25-13-,27-18-/t22-,24-,26-,30-,32-,33-,38-/m0/s1",InChIKey:"YWGUQBLAJYVMGL-FKUKIEALSA-N","Log P":4.9,"Exact Mass":846.33974636,"Molecular Formula":"C45H54N2O12S","Molecular Weight":847,"Monoisotopic Mass":846.33974636,Charge:0,"Easy Name":"Naphthomycin G","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C45H54N2O12S1"},101973279:{PUBCHEM:{CID:"101973279","Compound Complexity":904,"Hydrogen Bond Acceptor":11,"Hydrogen Bond Donor":3,"Rotatable Bond":7,"IUPAC Name Allowed":"Sodium;5-(diethylamino)-2-[(8-hydroxy-3,6-disulfo-1-naphthyl)azo]phenolate","IUPAC Name CAS-like Style":"Sodium;5-(diethylamino)-2-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]phenolate","IUPAC Name Markup":"Sodium;5-(diethylamino)-2-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]phenolate","IUPAC Name Preferred":"Sodium;5-(diethylamino)-2-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]phenolate","IUPAC Name Systematic":"Sodium;5-(diethylamino)-2-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)diazenyl]phenolate","IUPAC Name Traditional":"Sodium;5-(diethylamino)-2-[(8-hydroxy-3,6-disulfo-1-naphthyl)azo]phenolate",InChI:"1S/C20H21N3O8S2.Na/c1-3-23(4-2)13-5-6-16(18(24)9-13)21-22-17-10-14(32(26,27)28)7-12-8-15(33(29,30)31)11-19(25)20(12)17;/h5-11,24-25H,3-4H2,1-2H3,(H,26,27,28)(H,29,30,31);/q;+1/p-1",InChIKey:"RGILEORHLLBICS-UHFFFAOYSA-M","Exact Mass":517.05895125,"Molecular Formula":"C20H20N3NaO8S2","Molecular Weight":517.5,"Monoisotopic Mass":517.05895125,Charge:0,"Easy Name":"Beryllon III","Easy Category":"Azo compound"},HSDB:{},ReducedFormula:"C20H20N3Na1O8S2"},102004888:{PUBCHEM:{CID:"102004888","Compound Complexity":735,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":2,"Rotatable Bond":1,"IUPAC Name Allowed":"(1R,2R,5R,7R,8R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one","IUPAC Name CAS-like Style":"(1R,2R,5R,7R,8R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one","IUPAC Name Markup":"(1R,2R,5R,7R,8R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one","IUPAC Name Preferred":"(1R,2R,5R,7R,8R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one","IUPAC Name Systematic":"(1R,2R,5R,7R,8R,10R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-7,16-bis(oxidanyl)-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one","IUPAC Name Traditional":"(1R,2R,5R,7R,8R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one",InChI:"1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13?,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1",InChIKey:"CBOSLVQFGANWTL-JAQKJRLSSA-N","Log P":1.1,"Exact Mass":357.23039386,"Molecular Formula":"C22H31NO3","Molecular Weight":357.5,"Monoisotopic Mass":357.23039386,Charge:0,"Easy Name":"Songorine","Easy Category":"Alkaloid"},HSDB:{},ReducedFormula:"C22H31N1O3"},102600770:{PUBCHEM:{CID:"102600770","Compound Complexity":1920,"Hydrogen Bond Acceptor":20,"Hydrogen Bond Donor":8,"Rotatable Bond":11,"IUPAC Name Allowed":"N2-[8-[[8-(4-aminoanilino)-10-phenyl-phenazin-10-ium-2-yl]amino]-10-phenyl-phenazin-10-ium-2-yl]-N8,10-diphenyl-phenazin-10-ium-2,8-diamine;hydroxy-oxido-dioxo-chromium","IUPAC Name CAS-like Style":"N2-[8-[[8-(4-aminoanilino)-10-phenyl-2-phenazin-10-iumyl]amino]-10-phenyl-2-phenazin-10-iumyl]-N8,10-diphenylphenazin-10-ium-2,8-diamine;hydroxy-oxido-dioxochromium","IUPAC Name Markup":"2-N-[8-[[8-(4-aminoanilino)-10-phenylphenazin-10-ium-2-yl]amino]-10-phenylphenazin-10-ium-2-yl]-8-N,10-diphenylphenazin-10-ium-2,8-diamine;hydroxy-oxido-dioxochromium","IUPAC Name Preferred":"2-N-[8-[[8-(4-aminoanilino)-10-phenylphenazin-10-ium-2-yl]amino]-10-phenylphenazin-10-ium-2-yl]-8-N,10-diphenylphenazin-10-ium-2,8-diamine;hydroxy-oxido-dioxochromium","IUPAC Name Systematic":"N2-[8-[[8-[(4-aminophenyl)amino]-10-phenyl-phenazin-10-ium-2-yl]amino]-10-phenyl-phenazin-10-ium-2-yl]-N8,10-diphenyl-phenazin-10-ium-2,8-diamine;oxidanidyl-oxidanyl-bis(oxidanylidene)chromium","IUPAC Name Traditional":"[8-(4-aminoanilino)-10-phenyl-phenazin-10-ium-2-yl]-[8-[(8-anilino-10-phenyl-phenazin-10-ium-2-yl)amino]-10-phenyl-phenazin-10-ium-2-yl]amine;hydroxy-diketo-oxido-chromium",InChI:"1S/C66H45N11.3Cr.3H2O.9O/c67-43-21-23-45(24-22-43)69-47-26-32-56-62(38-47)76(53-17-9-3-10-18-53)64-40-49(28-34-58(64)73-56)71-51-30-36-60-66(42-51)77(54-19-11-4-12-20-54)65-41-50(29-35-59(65)74-60)70-48-27-33-57-63(39-48)75(52-15-7-2-8-16-52)61-37-46(25-31-55(61)72-57)68-44-13-5-1-6-14-44;;;;;;;;;;;;;;;/h1-42H,(H3,67,68,69,70,71,72,73,74);;;;3*1H2;;;;;;;;;/q;3*+1;;;;;;;;;;3*-1",InChIKey:"FWLHAQYOFMQTHQ-UHFFFAOYSA-N","Exact Mass":1345.19338,"Molecular Formula":"C66H51Cr3N11O12","Molecular Weight":1346.2,"Monoisotopic Mass":1345.19338,Charge:0,"Easy Name":"Aniline Black","Easy Category":"Dye"},HSDB:{},ReducedFormula:"C66Cr3H51N11O12"},103598347:{PUBCHEM:{CID:"103598347","Compound Complexity":517,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(3-pyridylmethyl)prop-2-enamide","IUPAC Name CAS-like Style":"3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(3-pyridinylmethyl)-2-propenamide","IUPAC Name Markup":"3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)prop-2-enamide","IUPAC Name Preferred":"3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)prop-2-enamide","IUPAC Name Systematic":"3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)prop-2-enamide","IUPAC Name Traditional":"3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(3-pyridylmethyl)acrylamide",InChI:"1S/C20H22ClN3O3/c1-23(2)8-9-24(13-16-4-3-7-22-12-16)19(25)6-5-15-10-17(21)20-18(11-15)26-14-27-20/h3-7,10-12H,8-9,13-14H2,1-2H3",InChIKey:"UVUVOXYURFPNLG-UHFFFAOYSA-N","Log P":2.7,"Exact Mass":387.1349693,"Molecular Formula":"C20H22ClN3O3","Molecular Weight":387.9,"Monoisotopic Mass":387.1349693,Charge:0,"Easy Name":"Stylisin 1","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C20Cl1H22N3O3"},103598348:{PUBCHEM:{CID:"103598348","Compound Complexity":498,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"3-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-N-(3-pyridylmethyl)prop-2-enamide","IUPAC Name CAS-like Style":"3-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-N-(3-pyridinylmethyl)-2-propenamide","IUPAC Name Markup":"3-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)prop-2-enamide","IUPAC Name Preferred":"3-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)prop-2-enamide","IUPAC Name Systematic":"3-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)prop-2-enamide","IUPAC Name Traditional":"3-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-N-(3-pyridylmethyl)acrylamide",InChI:"1S/C21H26N4O2/c1-17(26)23-20-9-6-18(7-10-20)8-11-21(27)25(14-13-24(2)3)16-19-5-4-12-22-15-19/h4-12,15H,13-14,16H2,1-3H3,(H,23,26)",InChIKey:"OJPPLGKEJSSPJN-UHFFFAOYSA-N","Log P":1.4,"Exact Mass":366.2055761,"Molecular Formula":"C21H26N4O2","Molecular Weight":366.5,"Monoisotopic Mass":366.2055761,Charge:0,"Easy Name":"Stylisin 2","Easy Category":"Antimicrobials"},HSDB:{},ReducedFormula:"C21H26N4O2"},118536027:{PUBCHEM:{CID:"118536027","Compound Complexity":326,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":1,"Rotatable Bond":8,"IUPAC Name Allowed":"2-(2,5-dimethoxy-4-methyl-phenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name CAS-like Style":"2-(2,5-dimethoxy-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Markup":"2-(2,5-dimethoxy-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Preferred":"2-(2,5-dimethoxy-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Systematic":"2-(2,5-dimethoxy-4-methyl-phenyl)-N-[(2-methoxyphenyl)methyl]ethanamine","IUPAC Name Traditional":"2-(2,5-dimethoxy-4-methyl-phenyl)ethyl-o-anisyl-amine",InChI:"1S/C19H25NO3/c1-14-11-19(23-4)15(12-18(14)22-3)9-10-20-13-16-7-5-6-8-17(16)21-2/h5-8,11-12,20H,9-10,13H2,1-4H3",InChIKey:"UTVHBNXCFSATDB-UHFFFAOYSA-N","Log P":3.5,"Exact Mass":315.18344367,"Molecular Formula":"C19H25NO3","Molecular Weight":315.4,"Monoisotopic Mass":315.18344367,Charge:0,"Easy Name":"25D-NBOMe","Easy Category":"Phenethylamines"},HSDB:{},ReducedFormula:"C19H25N1O3"},129628890:{PUBCHEM:{CID:"129628890","Compound Complexity":136,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":0,"Rotatable Bond":0,"IUPAC Name Allowed":"Dicuprous;copper;iron(4+);hexacyanide","IUPAC Name CAS-like Style":"Copper;copper(1+);iron(4+);hexacyanide","IUPAC Name Markup":"Copper;copper(1+);iron(4+);hexacyanide","IUPAC Name Preferred":"Copper;copper(1+);iron(4+);hexacyanide","IUPAC Name Systematic":"Copper;copper(1+);iron(4+);hexacyanide","IUPAC Name Traditional":"Dicuprous;copper;iron(4+);hexacyanide",InChI:"1S/6CN.4Cu.Fe/c6*1-2;;;;;/q6*-1;;;2*+1;+4",InChIKey:"ZFDSWMJKBZTUHV-UHFFFAOYSA-N","Exact Mass":465.66996,"Molecular Formula":"C6Cu4FeN6","Molecular Weight":466.1,"Monoisotopic Mass":463.67177,Charge:0,"Easy Name":"Copper Hexacyanoferrate (II)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"C6Cu4Fe1N6"},129651543:{PUBCHEM:{CID:"129651543","Compound Complexity":142,"Hydrogen Bond Acceptor":24,"Hydrogen Bond Donor":0,"Rotatable Bond":0,InChI:"1S/12CN.5Fe/c12*1-2;;;;;/q12*-1;;;;;+2",InChIKey:"DHIVULGUUOHNEN-UHFFFAOYSA-N","Exact Mass":591.71157,"Molecular Formula":"C12Fe5N12-10","Molecular Weight":591.4,"Monoisotopic Mass":591.71157,Charge:-10,"Easy Name":"Iron (II) hexacyanoferrate (III)","Easy Category":"Coordination compounds"},HSDB:{},ReducedFormula:"-10C12Fe5N12"},133124992:{PUBCHEM:{CID:"133124992","Compound Complexity":139,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":4,"Rotatable Bond":6,"IUPAC Name Allowed":"Magnesium;(4S)-4-amino-5-hydroxy-5-oxo-pentanoate","IUPAC Name CAS-like Style":"Magnesium;(4S)-4-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Markup":"Magnesium;(4S)-4-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Preferred":"Magnesium;(4S)-4-amino-5-hydroxy-5-oxopentanoate","IUPAC Name Systematic":"Magnesium;(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate","IUPAC Name Traditional":"Magnesium;(4S)-4-amino-5-hydroxy-5-keto-valerate",InChI:"1S/2C5H9NO4.Mg/c2*6-3(5(9)10)1-2-4(7)8;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);/q;;+2/p-2/t2*3-;/m00./s1",InChIKey:"MYUGVHJLXONYNC-QHTZZOMLSA-L","Exact Mass":316.0757072,"Molecular Formula":"C10H16MgN2O8","Molecular Weight":316.55,"Monoisotopic Mass":316.0757072,Charge:0,"Easy Name":"L-Glutamic acid, magnesium salt (2:1)","Easy Category":"Organic salt"},HSDB:{},ReducedFormula:"C10H16Mg1N2O8"},135024075:{PUBCHEM:{CID:"135024075","Compound Complexity":681,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":0,"Rotatable Bond":15,"IUPAC Name Allowed":"Tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-nona-3,7-dienyl]-2-methyl-oxiran-2-yl]methyl carbonate","IUPAC Name CAS-like Style":"Carbonic acid tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethylnona-3,7-dienyl]-2-methyl-2-oxiranyl]methyl ester","IUPAC Name Markup":"tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethylnona-3,7-dienyl]-2-methyloxiran-2-yl]methyl carbonate","IUPAC Name Preferred":"Tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethylnona-3,7-dienyl]-2-methyloxiran-2-yl]methyl carbonate","IUPAC Name Systematic":"Tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-nona-3,7-dienyl]-2-methyl-oxiran-2-yl]methyl carbonate","IUPAC Name Traditional":"Carbonic acid tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-nona-3,7-dienyl]-2-methyl-oxiran-2-yl]methyl ester",InChI:"1S/C26H48O5Si/c1-20(14-12-13-15-21(2)18-29-32(10,11)25(6,7)8)16-17-22-26(9,30-22)19-28-23(27)31-24(3,4)5/h14-15,22H,12-13,16-19H2,1-11H3/b20-14+,21-15+/t22-,26-/m0/s1",InChIKey:"MTLIWVKDSZVUTJ-NEARPWIXSA-N","Exact Mass":468.32710118,"Molecular Formula":"C26H48O5Si","Molecular Weight":468.7,"Monoisotopic Mass":468.32710118,Charge:0,"Easy Name":"Porphin","Easy Category":"Porphyrin"},HSDB:{},ReducedFormula:"C26H48O5Si1"},135169081:{PUBCHEM:{CID:"135169081","Compound Complexity":832,"Hydrogen Bond Acceptor":10,"Hydrogen Bond Donor":4,"Rotatable Bond":6,"IUPAC Name Allowed":"(2S,3R)-3-[(2-amino-4-pyridyl)methyl]-N1-[(1S)-1-cyclohexyl-2,2,2-trifluoro-ethyl]-N2-[(E)-1,2-diaminovinyl]-N2-methyl-4-oxo-azetidine-1,2-dicarboxamide","IUPAC Name CAS-like Style":"(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N1-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-N2-[(E)-1,2-diaminoethenyl]-N2-methyl-4-oxoazetidine-1,2-dicarboxamide","IUPAC Name Markup":"(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-[(E)-1,2-diaminoethenyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide","IUPAC Name Preferred":"(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-[(E)-1,2-diaminoethenyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide","IUPAC Name Systematic":"(2S,3R)-3-[(2-azanylpyridin-4-yl)methyl]-N2-[(E)-1,2-bis(azanyl)ethenyl]-N1-[(1S)-1-cyclohexyl-2,2,2-tris(fluoranyl)ethyl]-N2-methyl-4-oxidanylidene-azetidine-1,2-dicarboxamide","IUPAC Name Traditional":"(2S,3R)-3-[(2-amino-4-pyridyl)methyl]-N-[(1S)-1-cyclohexyl-2,2,2-trifluoro-ethyl]-N'-[(E)-1,2-diaminovinyl]-4-keto-N'-methyl-azetidine-1,2-dicarboxamide",InChI:"1S/C22H30F3N7O3/c1-31(16(28)11-26)20(34)17-14(9-12-7-8-29-15(27)10-12)19(33)32(17)21(35)30-18(22(23,24)25)13-5-3-2-4-6-13/h7-8,10-11,13-14,17-18H,2-6,9,26,28H2,1H3,(H2,27,29)(H,30,35)/b16-11+/t14-,17+,18+/m1/s1",InChIKey:"CBNCRCMJNHXGPK-UKBJGYOHSA-N","Log P":2.8,"Exact Mass":497.23622235,"Molecular Formula":"C22H30F3N7O3","Molecular Weight":497.5,"Monoisotopic Mass":497.23622235,Charge:0,"Easy Name":"Potassium pertechnetate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C22F3H30N7O3"},135263380:{PUBCHEM:{CID:"135263380","Compound Complexity":434,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":0,"Rotatable Bond":7,"IUPAC Name Allowed":"Methyl 1-[5-(2-tert-butoxy-2-oxo-ethyl)pyrimidin-2-yl]piperidine-4-carboxylate","IUPAC Name CAS-like Style":"1-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester","IUPAC Name Markup":"Methyl 1-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrimidin-2-yl]piperidine-4-carboxylate","IUPAC Name Preferred":"Methyl 1-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrimidin-2-yl]piperidine-4-carboxylate","IUPAC Name Systematic":"Methyl 1-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]pyrimidin-2-yl]piperidine-4-carboxylate","IUPAC Name Traditional":"1-[5-(2-tert-butoxy-2-keto-ethyl)pyrimidin-2-yl]isonipecotic acid methyl ester",InChI:"1S/C17H25N3O4/c1-17(2,3)24-14(21)9-12-10-18-16(19-11-12)20-7-5-13(6-8-20)15(22)23-4/h10-11,13H,5-9H2,1-4H3",InChIKey:"JBQQSVTWBVEXEZ-UHFFFAOYSA-N","Log P":1.8,"Exact Mass":335.1845063,"Molecular Formula":"C17H25N3O4","Molecular Weight":335.4,"Monoisotopic Mass":335.1845063,Charge:0,"Easy Name":"Globoidnan A","Easy Category":"Lignans"},HSDB:{},ReducedFormula:"C17H25N3O4"},135288269:{PUBCHEM:{CID:"135288269","Compound Complexity":1260,"Hydrogen Bond Acceptor":12,"Hydrogen Bond Donor":3,"Rotatable Bond":8,"IUPAC Name Allowed":"(2Z)-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(4-piperidyloxy)-3-pyridyl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine","IUPAC Name CAS-like Style":"(2Z)-4-[3-fluoro-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-[5-[5-(4-piperidinyloxy)-3-pyridinyl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine","IUPAC Name Markup":"(2Z)-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine","IUPAC Name Preferred":"(2Z)-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine","IUPAC Name Systematic":"(2Z)-4-[3-fluoranyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine","IUPAC Name Traditional":"(2Z)-4-[3-fluoro-5-(2-pyrrolidinoethoxy)phenyl]-2-[5-[5-(4-piperidyloxy)-3-pyridyl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine",InChI:"1S/C34H34FN9O2/c35-23-15-21(16-25(18-23)45-14-13-44-11-1-2-12-44)30-31-28(7-10-38-30)40-34(41-31)33-32-29(42-43-33)4-3-27(39-32)22-17-26(20-37-19-22)46-24-5-8-36-9-6-24/h3-4,7,10,15-20,24,36,42-43H,1-2,5-6,8-9,11-14H2/b34-33-",InChIKey:"BHCAXRANFBWRHF-YHZPTAEISA-N","Log P":3,"Exact Mass":619.28194954,"Molecular Formula":"C34H34FN9O2","Molecular Weight":619.7,"Monoisotopic Mass":619.28194954,Charge:0,"Easy Name":"Sodium Thiomolybdate","Easy Category":"Inorganic salt"},HSDB:{},ReducedFormula:"C34F1H34N9O2"},135330156:{PUBCHEM:{CID:"135330156","Compound Complexity":1010,"Hydrogen Bond Acceptor":7,"Hydrogen Bond Donor":2,"Rotatable Bond":14,"IUPAC Name Allowed":"N-[3-(2-cyclopropylthiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methyl-phenyl)cyclohexyl]methyl]-4-[[2-[2-(methylamino)ethoxy]acetyl]amino]cyclohexanecarboxamide","IUPAC Name CAS-like Style":"N-[3-(2-cyclopropyl-5-thiazolyl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[[2-[2-(methylamino)ethoxy]-1-oxoethyl]amino]-1-cyclohexanecarboxamide","IUPAC Name Markup":"N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[[2-[2-(methylamino)ethoxy]acetyl]amino]cyclohexane-1-carboxamide","IUPAC Name Preferred":"N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-[[2-[2-(methylamino)ethoxy]acetyl]amino]cyclohexane-1-carboxamide","IUPAC Name Systematic":"N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methyl-phenyl)cyclohexyl]methyl]-4-[2-[2-(methylamino)ethoxy]ethanoylamino]cyclohexane-1-carboxamide","IUPAC Name Traditional":"N-[3-(2-cyclopropylthiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methyl-phenyl)cyclohexyl]methyl]-4-[[2-[2-(methylamino)ethoxy]acetyl]amino]cyclohexanecarboxamide",InChI:"1S/C39H52N4O4S/c1-26-21-31(15-18-35(26)46-3)28-9-7-27(8-10-28)24-43(34-6-4-5-32(22-34)36-23-41-38(48-36)29-11-12-29)39(45)30-13-16-33(17-14-30)42-37(44)25-47-20-19-40-2/h4-6,15,18,21-23,27-30,33,40H,7-14,16-17,19-20,24-25H2,1-3H3,(H,42,44)",InChIKey:"KDQONIJULLRMKS-UHFFFAOYSA-N","Log P":6.5,"Exact Mass":672.37092735,"Molecular Formula":"C39H52N4O4S","Molecular Weight":672.9,"Monoisotopic Mass":672.37092735,Charge:0,"Easy Name":"Decavanadic acid (H6V10O28)","Easy Category":"Inorganic acids"},HSDB:{},ReducedFormula:"C39H52N4O4S1"},135398684:{PUBCHEM:{CID:"135398684","Compound Complexity":598,"Hydrogen Bond Acceptor":4,"Hydrogen Bond Donor":4,"Rotatable Bond":7,"IUPAC Name Allowed":"2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-[(1S)-1-methylpropyl]imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine","IUPAC Name CAS-like Style":"2-[3-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)-8-imidazo[1,2-a]pyrazinyl]propyl]guanidine","IUPAC Name Markup":"2-[3-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine","IUPAC Name Preferred":"2-[3-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine","IUPAC Name Systematic":"2-[3-[2-[(2S)-butan-2-yl]-6-(1H-indol-3-yl)-3-oxidanyl-imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine","IUPAC Name Traditional":"2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-[(1S)-1-methylpropyl]imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine",InChI:"1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26,30H,3,6,9-10H2,1-2H3,(H4,23,24,25)/t13-/m0/s1",InChIKey:"AVNJFDTZJJNPKF-ZDUSSCGKSA-N","Log P":3.1,"Exact Mass":405.22770852,"Molecular Formula":"C22H27N7O","Molecular Weight":405.5,"Monoisotopic Mass":405.22770852,Charge:0,"Easy Name":"Vargulin","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C22H27N7O1"},135445694:{PUBCHEM:{CID:"135445694","Compound Complexity":585,"Hydrogen Bond Acceptor":5,"Hydrogen Bond Donor":3,"Rotatable Bond":5,"IUPAC Name Allowed":"8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol","IUPAC Name CAS-like Style":"6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-3-imidazo[1,2-a]pyrazinol","IUPAC Name Markup":"8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol","IUPAC Name Preferred":"8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol","IUPAC Name Systematic":"6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)imidazo[1,2-a]pyrazin-3-ol","IUPAC Name Traditional":"8-benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol",InChI:"1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-32H,14-15H2",InChIKey:"LNCOEGVEEQDKGX-UHFFFAOYSA-N","Log P":5.5,"Exact Mass":423.15829155,"Molecular Formula":"C26H21N3O3","Molecular Weight":423.5,"Monoisotopic Mass":423.15829155,Charge:0,"Easy Name":"Coelenterazine","Easy Category":"Lactam"},HSDB:{},ReducedFormula:"C26H21N3O3"}}
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