trans-3,4-Difluorocinnamic acid

Catalog	ACM112897979
CAS	112897-97-9
Structure
Synonyms	(E)-3-(3,4-Difluorophenyl)acrylic acid
IUPAC Name	(E)-3-(3,4-Difluorophenyl)prop-2-enoic acid
Molecular Weight	184.14
Molecular Formula	C9H6F2O2
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)O)F)F
InChI	InChI=1S/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	HXBOHZQZTWAEHJ-DUXPYHPUSA-N
Boiling Point	281.3±25.0 °C
Melting Point	194-196 °C
Flash Point	122.2ºC
Purity	95%+
Density	1.3056 g/mL at 25 °C(lit.)
Appearance	white crystal
Exact Mass	184.03358575
Isomeric SMILES	C1=CC(=C(C=C1/C=C/C(=O)O)F)F
Monoisotopic Mass	184.03358575
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų