Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Homovanillic acid
RN: 306-08-1
UNII: X77S6GMS36
InChIKey: QRMZSPFSDQBLIX-UHFFFAOYSA-N

Note

  • A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Homovanillic acid

MeSH Heading

  • Homovanillic acid

Synonyms

  • (4-Hydroxy-3-methoxyphenyl)acetic acid
  • 3-Methoxy-4-hydroxyphenylacetic acid
  • 4-Hydroxy-3-methoxybenzeneacetic acid
  • EINECS 206-176-7
  • HMPA
  • Homovanillic acid
  • HVA
  • NSC 16682
  • UNII-X77S6GMS36
  • Vanillacetic acid

Systematic Names

  • 4-Hydroxy-3-methoxyphenylacetic acid
  • Acetic acid, (4-hydroxy-3-methoxyphenyl)- (8CI)
  • Benzeneacetic acid, 4-hydroxy-3-methoxy-

Registry Numbers

CAS Registry Number

  • 306-08-1

FDA UNII

  • X77S6GMS36

System Generated Number

  • 0000306081

Structure Descriptors

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)

InChIKey

QRMZSPFSDQBLIX-UHFFFAOYSA-N

Smiles

c1c(c(cc(CC(O)=O)c1)OC)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 143.5 deg C   EXP
pKa Dissociation Constant 4.41 (none) 25 EXP
log P (octanol-water) 0.33 (none)   EXP
Water Solubility 6.97E+04 mg/L 25 EST
Vapor Pressure 8.23E-06 mm Hg 25 EST
Henry's Law Constant 2.72E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.19E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.