2-[(1E)-3-Carboxy-3-oxo-1-propen-1-yl]benzoic acid
[CAS# 85896-59-9]

Identification

• Name: 2-[(1E)-3-Carboxy-3-oxo-1-propen-1-yl]benzoic acid
• Synonyms: (3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoate; (3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid; 2-(3-carboxy-3-oxoprop-1-en-1-yl)benzoic acid
• Molecular Formula: C₁₁H₈O₅
• Molecular Weight: 220.18
• CAS Registry Number: 85896-59-9
• SMILES: O=C(O)c1ccccc1\C=C\C(=O)C(=O)O
• InChI: 1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/b6-5+
• InChIKey: APKXMKWCGDBYNV-AATRIKPKSA-N

Properties

• Density: 1.456g/cm³ (Cal.)
• Boiling point: 445.024°C at 760 mmHg (Cal.)
• Flash point: 237.074°C (Cal.)