2-Bromo-4,5-dimethoxycinnamic acid

Catalog	ACM151539525
CAS	151539-52-5
Structure
Synonyms	6-Bromo-3,4-dimethoxycinnamic acid
IUPAC Name	(E)-3-(2-Bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
Molecular Weight	287.11
Molecular Formula	C11H11BrO4
Canonical SMILES	COC1=C(C=C(C(=C1)C=CC(=O)O)Br)OC
InChI	InChI=1S/C11H11BrO4/c1-15-9-5-7(3-4-11(13)14)8(12)6-10(9)16-2/h3-6H,1-2H3,(H,13,14)/b4-3+
InChI Key	MSJCWIFRXCLULX-ONEGZZNKSA-N
Boiling Point	409.5ºC at 760mmHg
Melting Point	253-259 °C
Flash Point	201.4ºC
Purity	95%+
Density	1.517g/cm³
Exact Mass	285.98407
Isomeric SMILES	COC1=C(C=C(C(=C1)/C=C/C(=O)O)Br)OC
Monoisotopic Mass	285.98407
Topological Polar Surface Area	55.8 Ų