(2E)-4-{4-[(Ethoxycarbonyl)amino]phenyl}-4-oxo-2-butenoic acid
[CAS# 86867-11-0]

Identification

• Name: (2E)-4-{4-[(Ethoxycarbonyl)amino]phenyl}-4-oxo-2-butenoic acid
• Synonyms: (E)-4-(4-((Ethoxycarbonyl)amino)phenyl)-4-oxo-2-butenoic acid; 2-Butenoic acid, 4-(4-((ethoxycarbonyl)amino)phenyl)-4-oxo-, (E)-
• Molecular Formula: C₁₃H₁₃NO₅
• Molecular Weight: 263.25
• CAS Registry Number: 86867-11-0
• SMILES: O=C(OCC)Nc1ccc(cc1)C(=O)\C=C\C(=O)O
• InChI: 1S/C13H13NO5/c1-2-19-13(18)14-10-5-3-9(4-6-10)11(15)7-8-12(16)17/h3-8H,2H2,1H3,(H,14,18)(H,16,17)/b8-7+
• InChIKey: VXGYOBICIJPEIK-BQYQJAHWSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 411.045°C at 760 mmHg (Cal.)
• Flash point: 202.393°C (Cal.)