3-(Trifluoromethyl)cinnamic acid

Catalog	ACM779895
CAS	779-89-5
Structure
Synonyms	3-[3-(Trifluoromethyl)phenyl]-2-propenoicaci
IUPAC Name	(E)-3-[3-(Trifluoromethyl)phenyl]prop-2-enoic acid
Molecular Weight	216.1593
Molecular Formula	C10H7F3O2
Canonical SMILES	C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)O
InChI	InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
InChI Key	KSBWHDDGWSYETA-SNAWJCMRSA-N
Boiling Point	224 °C
Melting Point	135-137 °C
Purity	95%+
Density	1.3275 g/cm³ at 20 °C(lit.)
Exact Mass	216.03981395
Isomeric SMILES	C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)O
Monoisotopic Mass	216.03981395
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų