3,4,5-Trimethoxycinnamic Acid

Catalog	BBC90506
CAS	90-50-6
Structure
Synonyms	O-Methylsinapicacid
IUPAC Name	(E)-3-(3,4,5-Trimethoxyphenyl)prop-2-enoic acid
Molecular Weight	238.24
Molecular Formula	C12H14O5
Canonical SMILES	COC1=CC(=CC(=C1OC)OC)C=CC(=O)O
InChI	InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
InChI Key	YTFVRYKNXDADBI-SNAWJCMRSA-N
Boiling Point	300.83 °C
Melting Point	125-127 °C(lit.)
Flash Point	151.5 °C
Purity	98%
Density	1.1416 g/cm³
Appearance	Solid
Storage	Sealed in dry, room temperature
pKa	4.48±0.10(Predicted)
Refractive Index	1.4571