chempirical

2-(2-Carboxyethenyl)benzoic acid

C10H8O4CAS 612-40-8192.17 g/mol

Open in Covalent MOL file
OHOOOH
AlkeneCarboxylic acid

Properties

Molecular formula
C10H8O4
Molar mass
192.17 g/mol
Exact mass
192.0423 Da
Melting point
182 °C
logP
1.48Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
612-40-8
SMILES
O=C(O)C=Cc1ccccc1C(=O)O
InChIKey
SCWPNMHQRGNQHH-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzoic acid, 2-(2-carboxyethenyl)-
  • Cinnamic acid, o-carboxy-
  • 2-Carboxycinnamic acid
  • NSC 16636
  • o-Carboxycinnamic acid
  • 2-(2-Carboxyvinyl)benzoic acid

Work with 2-(2-Carboxyethenyl)benzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Formylcinnamic acid130036-17-860 % similar O-Coumaric acid583-17-560 % similar O-Coumaric acid614-60-860 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-160 % similar 2-Methylcinnamic acid2373-76-458 % similar 2-Chlorocinnamic acid3752-25-858 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-458 % similar 3-(1-Naphthalenyl)-2-propenoic acid13026-12-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Noreugenin1013-69-0 5-Methoxybenzofuran-2-carboxylic acid10242-08-7 4-(2-Carboxyethenyl)benzoic acid19675-63-9 5,7-Dihydroxy-4-methylcoumarin2107-76-8 7,8-Dihydroxy-4-methylcoumarin2107-77-9 3′,4′-Methylenedioxycinnamic acid2373-80-0 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2 4-Methylesculetin529-84-0

Elsewhere

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