chempirical

3-Hydroxy-4-methoxybenzeneacetic acid

C9H10O4CAS 1131-94-8182.18 g/mol

Open in Covalent MOL file
OOOHHO
Carboxylic acidEtherPhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.18 g/mol
Exact mass
182.0579 Da
Melting point
122.5–124.5 °C
logP
1.03Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
1131-94-8
SMILES
COc1ccc(CC(=O)O)cc1O
InChIKey
BWXLCOBSWMQCGP-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)

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

Names and synonyms

8 names
  • Benzeneacetic acid, 3-hydroxy-4-methoxy-
  • 4-Methoxy-3-hydroxyphenylacetic acid
  • 4-Methoxy-m-hydroxybenzenacetic acid
  • 2-(3-Hydroxy-4-methoxyphenyl)acetic acid
  • Acetic acid, (3-hydroxy-4-methoxyphenyl)-
  • Homoisovanillic acid
  • Isohomovanillic acid
  • 3-Hydroxy-4-methoxyphenylacetic acid

Work with 3-Hydroxy-4-methoxybenzeneacetic 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

Homovanillic acid306-08-178 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-269 % similar 4-Ethoxy-3-methoxybenzeneacetic acid120-13-864 % similar 3,4-Dihydroxyphenylacetic acid102-32-964 % similar 3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-262 % similar 3,4,5-Trimethoxyphenylacetic acid951-82-659 % similar Dihydroferulic acid1135-23-558 % similar 3-Ethoxy-4-hydroxybenzeneacetic acid80018-50-458 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6 4-Methoxyphenoxyacetic acid1877-75-4

Elsewhere

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