2-Carboxycinnamic acid

Catalog	ACM612408
CAS	612-40-8
Structure
Synonyms	2-(2-Carboxyethenyl)-benzoic acid
IUPAC Name	2-[(E)-2-Carboxyethenyl]benzoic acid
Molecular Weight	192.17
Molecular Formula	C10H8O4
Canonical SMILES	C1=CC=C(C(=C1)C=CC(=O)O)C(=O)O
InChI	InChI=1S/C10H8O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-5+
InChI Key	SCWPNMHQRGNQHH-AATRIKPKSA-N
Boiling Point	248.14 °C
Melting Point	197-202 °C
Flash Point	219.9ºC
Purity	95%+
Density	1.396±0.06 g/cm³
Appearance	white crystalline powder
Exact Mass	192.04225873
Isomeric SMILES	C1=CC=C(C(=C1)/C=C/C(=O)O)C(=O)O
Monoisotopic Mass	192.04225873
Refractive Index	n20/D 1.444(lit.)
Topological Polar Surface Area	74.6 Ų