3-(3-Bromo-4-hydroxy-5-methoxyphenyl)acrylic acid

CAS	6948-33-0
Structure
Synonyms	Trans-3-(5-bromo-4-hydroxy-3-methoxyphenyl)-2-propenoic acid
IUPAC Name	(E)-3-(3-Bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
Molecular Weight	273.08
Canonical SMILES	COC1=C(C(=CC(=C1)C=CC(=O)O)Br)O
InChI	InChI=1S/C10H9BrO4/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,14H,1H3,(H,12,13)/b3-2+
InChI Key	NGBVBJQUJJKRGF-NSCUHMNNSA-N
Boiling Point	381 °C
Melting Point	255 °C
Flash Point	184 °C
Purity	95%+
Density	1.668 g/mL at 25 °C(lit.)
Exact Mass	271.96842
Isomeric SMILES	COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)O
Monoisotopic Mass	271.96842
Topological Polar Surface Area	66.8 Ų