3-(4-Cyanophenyl)-2-propenoic acid

C₁₀H₇NO₂CAS 18664-39-6173.17 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Nitrile

Properties

Molecular formula: C₁₀H₇NO₂
Molar mass: 173.17 g/mol
Exact mass: 173.0477 Da
Melting point: 254 °C
logP: 1.66Crippen estimate
Polar surface area: 61.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

18664-39-6

SMILES

N#Cc1ccc(C=CC(=O)O)cc1

InChIKey

USVZQKYCNGNRBV-UHFFFAOYSA-N

InChI

InChI=1S/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)

Weigh it out

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

Names and synonyms

5 names

2-Propenoic acid, 3-(4-cyanophenyl)-
Cinnamic acid, p-cyano-
4-Cyanocinnamic acid
p-Cyanocinnamic acid
NSC 134574

Work with 3-(4-Cyanophenyl)-2-propenoic 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 acid16323-43-669 % similar Cinnamic acid140-10-363 % similar Cinnamic acid621-82-963 % similar 3-[1,1′-Biphenyl]-4-yl-2-propenoic acid13026-23-860 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-259 % similar P-Coumaric acid501-98-459 % similar p-Coumaric acid7400-08-059 % similar 4-Bromocinnamic acid1200-07-357 % similar

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

Same formula

α-Cyanocinnamic acid1011-92-3 6-Quinolinecarboxylic acid10349-57-2 6-Isoquinolinecarboxylic acid106778-43-2 1-Nitroso-2-naphthol131-91-9 2-Nitroso-1-naphthol132-53-6 8-Hydroxyquinoline-2-carboxaldehyde14510-06-6 Isoquinoline-5-carboxylic acid27810-64-6 Vinylphthalimide3485-84-5

Elsewhere

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