lsovanillic acid

Catalog	BBC645089
CAS	645-08-9
Structure
Synonyms	3-Hydroxy-4-methoxybenzoic acid
IUPAC Name	3-Hydroxy-4-methoxybenzoic acid
Molecular Weight	168.15
Molecular Formula	C8H8O4
Canonical SMILES	COC1=C(C=C(C=C1)C(=O)O)O
InChI	InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChI Key	LBKFGYZQBSGRHY-UHFFFAOYSA-N
Melting Point	250-253 °C (lit.)
Purity	98%
Density	1.3 g/ml
Appearance	Beige to gray-brown powder
pKa	4.35±0.10