MW: 234.21
CAS: 5852-10-8
MDL: MFCD00467589
TNP: TNP00568
7-HYDROXY-4-METHYLCOUMARIN-3-ACETIC ACID; (7-HYDROXY-4-METHYL-2-OXO-2H-CHROMEN-3-YL)-ACETIC ACID; 7-HYDROXY-4-METHYL-3-COUMARINYLACETIC ACID; 7-HYDROXY-4-METHYL-CUMARONE-3-YL ACETIC ACID; 4-METHYLUMBELLIFERONE-3-ACETIC ACID; 7-HYDROXY-4-METHYL-3-COUMARINYLACET
LogP: 2.17
LogS: -4.43
Acceptors: 5
Donors: 2
Rotation Bonds: 4
Chiral Centers: 0
N+O: 5
LIPINSKY: 4
IUPAC: 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetic acid
Smiles: c1(c(oc2c(c1C)ccc(O)c2)=O)CC(=O)O
Specification: 7-HYDROXY-4-METHYL-3-COUMARINYLACETIC ACID Chemical Properties:
mp 263-267 C solubility DMF: soluble Safety Information Hazard Codes Xi Risk Statements 36/37/38 Safety Statements 26-36 WGK Germany 3 F 8 7-HYDROXY-4-METHYL-3-COUMARINYLACETIC ACID Usage And Synthesis 7-HYDROXY-4-METHYL-3-COUMARINYLACETIC ACID Raw materialsEtanol-->Sodium hydroxide-->Hydrochloric acid-->Diethyl ether-->Sulfuric acid -->Sodium-->Magnesium sulfate-->Triethylamine-->Acetone-->Ethyl acetoacetate-->Resorcine-->Bromoacetic acid-->Cupric bromide
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