3-Bromocinnamic acid

CAS	32862-97-8 / 14473-91-7
Structure
Synonyms	3-(3-Bromophenyl)propenoic acid
IUPAC Name	(E)-3-(3-Bromophenyl)prop-2-enoic acid
Molecular Weight	227.05
Canonical SMILES	C1=CC(=CC(=C1)Br)C=CC(=O)O
InChI	InChI=1S/C9H7BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChI Key	YEMUSDCFQUBPAL-SNAWJCMRSA-N
Boiling Point	344.1±25.0 °C
Melting Point	177-179 °C
Purity	95%+
Density	1.5403 g/mL at 25 °C(lit.)
Exact Mass	225.96294
Isomeric SMILES	C1=CC(=CC(=C1)Br)/C=C/C(=O)O
Monoisotopic Mass	225.96294
Physical State	Crystalline powder
Refractive Index	n20/D 1.5627(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų