2-Oxobutanedioic Acid
[CAS# 149-63-3]

Identification

• Name: 2-Oxobutanedioic Acid
• Synonyms: 2-Ketosuccinate; Butanedioic Acid, Oxo-, Ion(2-); Chebi:16452
• Molecular Formula: C₄H₂O₅
• Molecular Weight: 130.06
• CAS Registry Number: 149-63-3
• SMILES: C(C(=O)C([O-])=O)C([O-])=O
• InChI: 1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-2
• InChIKey: KHPXUQMNIQBQEV-UHFFFAOYSA-L

Properties

• Boiling point: 341.931°C at 760 mmHg (Cal.)
• Flash point: 174.794°C (Cal.)

References

• (1): Serafimov JA�rg M.. Active site mutagenesis of the putative Diels-Alderase macrophomate synthase, Chemical Communications, 2007