4-(2-Carboxyethenyl)benzoic acid

C₁₀H₈O₄CAS 19675-63-9192.17 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₀H₈O₄
Molar mass: 192.17 g/mol
Exact mass: 192.0423 Da
Melting point: 250–260 °C
logP: 1.48Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

19675-63-9

SMILES

O=C(O)C=Cc1ccc(C(=O)O)cc1

InChIKey

HAEJSGLKJYIYTB-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 4-(2-carboxyethenyl)-
Cinnamic acid, p-carboxy-
4-Carboxycinnamic acid
p-Carboxycinnamic acid

Work with 4-(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

P-Phenylenediacrylic acid16323-43-674 % similar 4,4′-(1,2-Ethenediyl)bis[benzoic acid]100-31-271 % similar 4,4'-Stilbenedicarboxylic acid133005-88-671 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-263 % similar P-Coumaric acid501-98-463 % similar P-Coumaric acid7400-08-063 % similar Cinnamic acid140-10-361 % similar Cinnamic acid621-82-961 % 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 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 Furoin552-86-3

Elsewhere

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