chempirical

2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid

C10H7NO3CAS 54673-07-3189.17 g/mol

Open in Covalent MOL file
NOHOHO
AlkeneCarboxylic acidNitrilePhenol

Properties

Molecular formula
C10H7NO3
Molar mass
189.17 g/mol
Exact mass
189.0426 Da
Melting point
229 °C
logP
1.38Crippen estimate
Polar surface area
81.3 Ų
H-bond donors / acceptors
2 / 3
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
54673-07-3
SMILES
N#CC(=Cc1cccc(O)c1)C(=O)O
InChIKey
HPLNTJVXWMJLNJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO3/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7/h1-5,12H,(H,13,14)

Weigh it out

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Names and synonyms

6 names
  • 2-Propenoic acid, 2-cyano-3-(3-hydroxyphenyl)-
  • Cinnamic acid, α-cyano-m-hydroxy-
  • α-Cyano-m-hydroxycinnamic acid
  • α-Cyano-3-hydroxycinnamic acid
  • Ethyl α-cyano-3′-hydroxycinnamate
  • 2-Cyano-3-(3-hydroxyphenyl)acrylic acid

Work with 2-Cyano-3-(3-hydroxyphenyl)-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

α-Cyanocinnamic acid1011-92-370 % similar α-Cyano-4-hydroxycinnamic acid28166-41-869 % similar (2E)-3-(4-Chlorophenyl)-2-cyanoprop-2-enoic acid20374-46-360 % similar 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid49711-55-955 % similar trans-3-Hydroxycinnamic acid14755-02-345 % similar m-Coumaric acid588-30-745 % similar 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic acid56396-35-143 % similar Tyrphostin A46122520-85-843 % 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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