Sinapic acid

CAS	530-59-6
Structure
Synonyms	4-Hydroxy-3,5-dimethoxycinnamic acid
IUPAC Name	(E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
Molecular Weight	224.21
Canonical SMILES	COC1=CC(=CC(=C1O)OC)C=CC(=O)O
InChI	InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
InChI Key	PCMORTLOPMLEFB-ONEGZZNKSA-N
Boiling Point	285.61 °C
Melting Point	202 °C
Purity	95%+
Density	1.1478 g/mL at 25 °C(lit.)
Exact Mass	224.06847348
Isomeric SMILES	COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O
Monoisotopic Mass	224.06847348
Physical State	Powder
Refractive Index	n20/D 1.4720(lit.)
Storage Conditions	Dark and dry place,Room Temperature
Topological Polar Surface Area	76 Ų