5-Bromo-2-methoxycinnamic acid

• CAS: 40803-53-0
• Catalog Number: ACM40803530
• Category: Other Products
• Molecular Weight: 257.08
• Molecular Formula: C₁₀H₉BrO₃
• Synonyms: Acide bromo-5-methoxy-2-cinnamique
• IUPAC Name: (E)-3-(5-Bromo-2-methoxyphenyl)prop-2-enoic acid
• 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
• 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