Homovanillic Acid

Catalog	BBC306081
CAS	306-08-1
Structure
Synonyms	4-Hydroxy-3-methoxybenzeneacetic acid
IUPAC Name	2-(4-Hydroxy-3-methoxyphenyl)acetic acid
Molecular Weight	182.17
Molecular Formula	C9H10O4
Canonical SMILES	COC1=C(C=CC(=C1)CC(=O)O)O
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)
InChI Key	QRMZSPFSDQBLIX-UHFFFAOYSA-N
Boiling Point	235.56 °C
Melting Point	142-145 °C(lit.)
Flash Point	151.9 °C
Purity	98%
Density	1.1634 g/cm³
Solubility	Soluble in water
Appearance	Crystalline powder
Storage	Keep in dark place, sealed in dry, room temperature
pKa	4.39±0.10(Predicted)
Refractive Index	1.4209
Solubility in Water	Soluble