3-Carboxy-5-oxo-2-hexenedioic acid
[CAS# 85179-60-8]

Identification

• Name: 3-Carboxy-5-oxo-2-hexenedioic acid
• Synonyms: 4-Oxobut-1-Ene-1,2,4-Tricarboxylic Acid; (E)-4-Ketobut-1-Ene-1,2,4-Tricarboxylic Acid; 4-Ketobut-1-Ene-1,2,4-Tricarboxylic Acid
• Molecular Formula: C₇H₆O₇
• Molecular Weight: 202.12
• CAS Registry Number: 85179-60-8
• SMILES: C(\C(C(=O)O)=C/C(=O)O)C(=O)C(=O)O
• InChI: 1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/b3-2+
• InChIKey: ODTDYYZJDQGKQT-NSCUHMNNSA-N

Properties

• Density: 1.706g/cm³ (Cal.)
• Boiling point: 523.878°C at 760 mmHg (Cal.)
• Flash point: 284.711°C (Cal.)