α-Cyano-4-hydroxycinnamic acid

C₁₀H₇NO₃CAS 28166-41-8189.17 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Nitrile Phenol

Properties

Molecular formula: C₁₀H₇NO₃
Molar mass: 189.17 g/mol
Exact mass: 189.0426 Da
Melting point: 244 °C
logP: 1.38Crippen estimate
Polar surface area: 81.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation98.8% of notifiers
H319 Causes serious eye irritation98.8% of notifiers
H335 May cause respiratory irritation98.2% of notifiers

Aggregated from 165 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

28166-41-8

SMILES

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

InChIKey

AFVLVVWMAFSXCK-UHFFFAOYSA-N

InChI

InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)

Weigh it out

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

Names and synonyms

6 names

2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-
NSC 173138
Cinnamic acid, α-cyano-p-hydroxy-
2-Cyano-3-(4-hydroxyphenyl)-2-propenoic acid
4-Hydroxy-α-cyanocinnamic acid
Alpha-cyano-4-hydroxycinnamic acid

Work with α-Cyano-4-hydroxycinnamic 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

α-Cyanocinnamic acid1011-92-374 % similar (2E)-3-(4-Chlorophenyl)-2-cyanoprop-2-enoic acid20374-46-370 % similar 2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid54673-07-369 % similar 4-Hydroxybenzylidenemalononitrile3785-90-857 % similar 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid49711-55-957 % similar 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic acid56396-35-144 % similar Tyrphostin A46122520-85-843 % similar P-Coumaric acid501-98-440 % similar

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

Same formula

1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-7 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-2 5-Phenylisoxazole-3-carboxylic acid14441-90-8 3-Phenyl-5-isoxazolecarboxylic acid14442-12-7 Indole-3-glyoxylic acid1477-49-2 8-Hydroxyquinoline-2-carboxylic acid1571-30-8 2-Hydroxycinchoninic acid15733-89-8 N-Acetylphthalimide1971-49-9

Elsewhere

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