chempirical

O-Coumaric acid

C9H8O3CAS 583-17-5164.16 g/mol

Open in Covalent MOL file
OHOHO
AlkeneCarboxylic acidPhenol

Properties

Molecular formula
C9H8O3
Molar mass
164.16 g/mol
Exact mass
164.0473 Da
Melting point
188 °C
logP
1.49Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
583-17-5
SMILES
O=C(O)C=Cc1ccccc1O
InChIKey
PMOWTIHVNWZYFI-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • 2-Propenoic acid, 3-(2-hydroxyphenyl)-
  • Cinnamic acid, o-hydroxy-
  • 3-(2-Hydroxyphenyl)-2-propenoic acid
  • 2-Hydroxycinnamic acid
  • o-Hydroxycinnamic acid
  • 2-Coumaric acid

Work with O-Coumaric 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

O-Coumaric acid614-60-8100 % similar 2-Formylcinnamic acid130036-17-864 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-164 % similar 3-(2,5-Dihydroxyphenyl)-2-propenoic acid636-01-163 % similar 2-Methylcinnamic acid2373-76-462 % similar 2-Chlorocinnamic acid3752-25-862 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-462 % similar 3-(1-Naphthalenyl)-2-propenoic acid13026-12-560 % similar

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

Same formula

Carbic anhydride129-64-6 trans-3-Hydroxycinnamic acid14755-02-3 Methyl phenylglyoxylate15206-55-0 Phenylpyruvic acid156-06-9 Methyl 4-formylbenzoate1571-08-0 2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-9 Himic anhydride2746-19-2 7-Methoxy-3H-isobenzofuran-1-one28281-58-5

Elsewhere

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