Isoferulic Acid

CAS	537-73-5
Structure
Synonyms	3-Hydroxy-4-methoxycinnamic acid
IUPAC Name	(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Molecular Weight	194.18
Molecular Formula	C10H10O4
Canonical SMILES	COC1=C(C=C(C=C1)/C=C/C(=O)O)O
InChI	InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChI Key	QURCVMIEKCOAJU-HWKANZROSA-N
Boiling Point	250.62 °C
Melting Point	230 °C (dec.)(lit.)
Purity	98%
Density	1.058 g/ml
Refractive Index	n20/D 1.5168(lit.)
pKa	4.53±0.10
Appearance	Powder