Trans-4-trifluoromethyl cinnamoyl acid

CAS	16642-92-5 / 2062-26-2
Structure
Synonyms	4-(Trifluoromethyl)cinnamic acid
IUPAC Name	(E)-3-[4-(Trifluoromethyl)phenyl]prop-2-enoic acid
Molecular Weight	216.16
Canonical SMILES	C1=CC(=CC=C1C=CC(=O)O)C(F)(F)F
InChI	InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
InChI Key	ANRMAUMHJREENI-ZZXKWVIFSA-N
Boiling Point	279.2±35.0 °C
Melting Point	231-233 °C
Purity	95%+
Density	1.3275 g/cm³ at 20 °C(lit.)
Exact Mass	216.03981395
Isomeric SMILES	C1=CC(=CC=C1/C=C/C(=O)O)C(F)(F)F
Monoisotopic Mass	216.03981395
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų