3,5-Dihydroxyphenylacetic acid

C₈H₈O₄CAS 4670-09-1168.15 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₈H₈O₄
Molar mass: 168.15 g/mol
Exact mass: 168.0423 Da
Melting point: 126–127 °C
logP: 0.72Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Identifiers

CAS number

4670-09-1

SMILES

O=C(O)Cc1cc(O)cc(O)c1

InChIKey

IOVOJJDSFSXJQN-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O4/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Benzeneacetic acid, 3,5-dihydroxy-
Acetic acid, (3,5-dihydroxyphenyl)-
3,5-Dihydroxybenzeneacetic acid
2-(3,5-Dihydroxyphenyl)acetic acid

Work with 3,5-Dihydroxyphenylacetic 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

3′-Hydroxyphenylacetic acid621-37-467 % similar 4-Hydroxyphenylacetic acid156-38-764 % similar 1,4-Benzenediacetic acid7325-46-458 % similar 3,5-Difluorophenylacetic acid105184-38-157 % similar 3,5-Dichlorobenzeneacetic acid51719-65-457 % similar 1,3-Benzenediacetic acid19806-17-855 % similar Phenylacetic acid103-82-252 % similar 4-Bromophenylacetic acid1878-68-852 % similar

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

Same formula

3,4-Dihydroxyphenylacetic acid102-32-9 5-(Acetoxymethyl)-2-furaldehyde10551-58-3 4-Hydroxymandelic acid1198-84-1 Vanillic acid121-34-6 (4-Hydroxyphenoxy)acetic acid1878-84-8 Methyl 3,4-dihydroxybenzoate2150-43-8 3,5-Dihydroxybenzoic acid methyl ester2150-44-9 Methyl 2,6-dihydroxybenzoate2150-45-0

Elsewhere

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