3-(6-Bromobenzo[d][1,3]dioxol-5-yl)acrylic acid

CAS	27452-00-2
Structure
Synonyms	2-Bromo-4,5-methylenedioxycinnamic acid
IUPAC Name	(E)-3-(6-Bromo-1,3-benzodioxol-5-yl)prop-2-enoic acid
Molecular Weight	271.06
Canonical SMILES	C1OC2=C(O1)C=C(C(=C2)C=CC(=O)O)Br
InChI	InChI=1S/C10H7BrO4/c11-7-4-9-8(14-5-15-9)3-6(7)1-2-10(12)13/h1-4H,5H2,(H,12,13)/b2-1+
InChI Key	FIFYPFARGVBVGX-OWOJBTEDSA-N
Melting Point	252-254 °C
Purity	95%+
Density	1.778±0.06 g/cm³
Exact Mass	269.95277
Isomeric SMILES	C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)O)Br
Monoisotopic Mass	269.95277
Topological Polar Surface Area	55.8 Ų