3-(2,5-Dihydroxyphenyl)-2-propenoic acid

C₉H₈O₄CAS 636-01-1180.16 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Phenol

Properties

Molecular formula: C₉H₈O₄
Molar mass: 180.16 g/mol
Exact mass: 180.0423 Da
Melting point: 207 °C
logP: 1.20Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Identifiers

CAS number

636-01-1

SMILES

O=C(O)C=Cc1cc(O)ccc1O

InChIKey

JXIPYOZBOMUUCA-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O4/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5,10-11H,(H,12,13)

Weigh it out

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

Names and synonyms

3 names

2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-
Cinnamic acid, 2,5-dihydroxy-
2,5-Dihydroxycinnamic acid

Work with 3-(2,5-Dihydroxyphenyl)-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

O-Coumaric acid583-17-563 % similar O-Coumaric acid614-60-863 % similar P-Coumaric acid501-98-457 % similar P-Coumaric acid7400-08-057 % similar Caffeic acid331-39-557 % similar Caffeic acid501-16-657 % similar trans-3-Hydroxycinnamic acid14755-02-355 % similar M-Coumaric acid588-30-755 % similar

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

Same formula

5-Acetylsalicylic acid13110-96-8 p-Hydroxyphenylpyruvic acid156-39-8 Monomethyl terephthalate1679-64-7 (4-Formylphenoxy)acetic acid22042-71-3 P-Acetoxybenzoic acid2345-34-8 Methyl 3-formyl-4-hydroxybenzoate24589-99-9 Phenylmalonic acid2613-89-0 1,3-Benzodioxole-5-acetic acid2861-28-1

Elsewhere

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