3,4,5-Trifluorocinnamic acid

Catalog	ACM152152197
CAS	152152-19-7
Structure
Synonyms	(E)-3-(3,4,5-Trifluorophenyl)acrylic acid
IUPAC Name	(E)-3-(3,4,5-Trifluorophenyl)prop-2-enoic acid
Molecular Weight	202.13
Molecular Formula	C4H9NO4S
Canonical SMILES	C1=C(C=C(C(=C1F)F)F)C=CC(=O)O
InChI	InChI=1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)4-7(11)9(6)12/h1-4H,(H,13,14)/b2-1+
InChI Key	PHIWFMZBVZFEQJ-OWOJBTEDSA-N
Boiling Point	273.8±35.0 °C
Melting Point	195-199 °C
Purity	95%+
Density	1.468±0.06 g/cm³
Exact Mass	202.02416388
Isomeric SMILES	C1=C(C=C(C(=C1F)F)F)/C=C/C(=O)O
Monoisotopic Mass	202.02416388
Storage Conditions	Inert atmosphere,2-8 °C
Topological Polar Surface Area	37.3 Ų