5-Bromo-2-methoxycinnamic acid

Catalog	ACM40803530
CAS	40803-53-0
Structure
Synonyms	Acide bromo-5-methoxy-2-cinnamique
IUPAC Name	(E)-3-(5-Bromo-2-methoxyphenyl)prop-2-enoic acid
Molecular Weight	257.08
Molecular Formula	C10H9BrO3
Canonical SMILES	COC1=C(C=C(C=C1)Br)C=CC(=O)O
InChI	InChI=1S/C10H9BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+
InChI Key	QABZTGNRWBRJBO-GORDUTHDSA-N
Boiling Point	382 °C
Melting Point	224-227 °C
Flash Point	185 °C
Purity	95%+
Density	1.555 g/mL at 25 °C(lit.)
Exact Mass	255.97351
Isomeric SMILES	COC1=C(C=C(C=C1)Br)/C=C/C(=O)O
Monoisotopic Mass	255.97351
Topological Polar Surface Area	46.5 Ų