Trans-2,3,4-Trimethoxycinnamic Acid

Catalog	ACM33130039-1
CAS	33130-03-9
Structure
Synonyms	2,3,4-Trimethoxy-trans-cinnamic acid
IUPAC Name	(E)-3-(2,3,4-Trimethoxyphenyl)prop-2-enoic acid
Molecular Weight	238.24
Molecular Formula	C12H14O5
Canonical SMILES	COC1=C(C(=C(C=C1)C=CC(=O)O)OC)OC
InChI	InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b7-5+
InChI Key	ZYOPDNLIHHFGEC-FNORWQNLSA-N
Boiling Point	300.83 °C
Melting Point	172-174 °C
Purity	95%+
Density	1.1416 g/mL at 25 °C(lit.)
Appearance	Powder
Exact Mass	238.08412354
Isomeric SMILES	COC1=C(C(=C(C=C1)/C=C/C(=O)O)OC)OC
Monoisotopic Mass	238.08412354
Physical State	Solid
Refractive Index	n20/D 1.4571(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	65 Ų