4-(2-Carboxyethenyl)benzoic acid

C10H8O4CAS 19675-63-9192.17 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
250–260 °C
logP
1.48Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2-Ethenylbenzene-1,4-dicarboxylic acid216431-29-7 Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate23405-32-5 3′,4′-Methylenedioxycinnamic acid2373-80-0 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook