3-(4-Methoxybenzoyl)acrylic acid

• CAS: 5711-41-1
• Catalog Number: ACM5711411
• Category: Other Products
• Molecular Weight: 206.19
• Molecular Formula: C₁₁H₁₀O₄
• Synonyms: Trans-3-(4-methoxybenzoyl)acrylic acid
• IUPAC Name: (E)-4-(4-Methoxyphenyl)-4-oxobut-2-enoic acid
• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C=CC(=O)O
• InChI: InChI=1S/C11H10O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
• InChI Key: WORYXBDHTBWLLL-VOTSOKGWSA-N
• Boiling Point: 389.3±42.0 °C
• Melting Point: 132-136 °C
• Flash Point: 155.2ºC
• Density: 1.240±0.06 g/cm³
• Exact Mass: 206.0579088
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Isomeric SMILES: COC1=CC=C(C=C1)C(=O)/C=C/C(=O)O
• Monoisotopic Mass: 206.0579088
• Safety Description: S26-S36
• Topological Polar Surface Area: 63.6 Ų
• WGK Germany: 3