Chemical Properties of Coumarin-3-carboxylic acid (CAS 531-81-7)

Coumarin-3-carboxylic acid

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InChI
InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
InChI Key
ACMLKANOGIVEPB-UHFFFAOYSA-N
Formula
C10H6O4
SMILES
O=C(O)c1cc2ccccc2oc1=O
Molecular Weight1
190.15
CAS
531-81-7
Other Names
  • 2-Oxobenzopyran-3-carboxylic acid
  • 2-oxo-2H-1-benzopyran-3-carboxylic acid
  • 2-oxo-2H-chromene-3-carboxylic acid
  • 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-
  • 2H-1-benzopyran-2-one-3-carboxylic acid
  • 3-carboxycoumarin
  • Benzopyran-3-carboxylic acid, 2H-1-, 2-oxo
  • G 1
  • Malonic acid, salicylidene-, «delta»-lactone
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Physical Properties

Property Value Unit Source
log10WS -6.49 Crippen Calculated Property
logPoct/wat 1.491 Crippen Calculated Property
McVol 127.720 ml/mol McGowan Calculated Property

Similar Compounds

Ethyl 3-coumarincarboxylate. 6-Carboxycoumarin. 3-Acetylcoumarin. 3-Cyano-coumarin. 2H-1-Benzopyran-2-one, 3-methyl-. 3-Acetyl-6-bromocoumarin. 6-Acetocoumarin. 6-Formaldehydecoumarin. Mercumallylic acid. 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-(1-methylethenyl)-. 7-Acetocoumarin. 6-Cyanocoumarin. Chromonar. 2-Diphenyl-carbinol-benzofuran. 2H-1-Benzopyran-2-one, 6-methyl-.

Find more compounds similar to Coumarin-3-carboxylic acid.

Sources

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