2-Bromo-4,5-dimethoxycinnamic acid

• CAS: 151539-52-5
• Catalog Number: ACM151539525
• Category: Other Products
• Molecular Weight: 287.11
• Molecular Formula: C₁₁H₁₁BrO₄
• Synonyms: 6-Bromo-3,4-dimethoxycinnamic acid
• IUPAC Name: (E)-3-(2-Bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
• 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
• Density: 1.517g/cm³
• Exact Mass: 285.98407
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Isomeric SMILES: COC1=C(C=C(C(=C1)/C=C/C(=O)O)Br)OC
• Monoisotopic Mass: 285.98407
• Safety Description: S37/39
• Topological Polar Surface Area: 55.8 Ų