chempirical

Homovanillic acid

C9H10O4CAS 306-08-1182.18 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
143.5 °C
logP
1.03Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
306-08-1
SMILES
COc1cc(CC(=O)O)ccc1O
InChIKey
QRMZSPFSDQBLIX-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

9 names
  • Benzeneacetic acid, 4-hydroxy-3-methoxy-
  • Acetic acid, (4-hydroxy-3-methoxyphenyl)-
  • 4-Hydroxy-3-methoxybenzeneacetic acid
  • HVA
  • 3-Methoxy-4-hydroxyphenylacetic acid
  • Vanilacetic acid
  • (4-Hydroxy-3-methoxyphenyl)acetic acid
  • NSC 16682
  • 3′-Methoxy-4′-hydroxyphenylacetic acid

Work with Homovanillic 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

(3,4-Dimethoxyphenyl)acetic acid93-40-375 % similar Dihydroferulic acid1135-23-574 % similar 3-Ethoxy-4-hydroxybenzeneacetic acid80018-50-470 % similar Guaiacylacetone2503-46-069 % similar 3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-266 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-265 % similar 4-Ethoxy-3-methoxybenzeneacetic acid120-13-864 % similar 3,4-Dihydroxyphenylacetic acid102-32-964 % 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-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia