(2S,4E)-1,2,3,4-Tetrahydro-4-(2-Oxoethylidene)Pyridine-2,6-Dicarboxylic Acid
[CAS# 18766-66-0]

Identification

• Name: (2S,4E)-1,2,3,4-Tetrahydro-4-(2-Oxoethylidene)Pyridine-2,6-Dicarboxylic Acid
• Synonyms: (2S,4E)-4-(2-Ketoethylidene)-2,3-Dihydro-1H-Pyridine-2,6-Dicarboxylic Acid; C08538; Betalanic Acid
• Molecular Formula: C₉H₉NO₅
• Molecular Weight: 211.17
• CAS Registry Number: 18766-66-0
• SMILES: [C@@H]1(NC(=CC(/C1)=C/C=O)C(=O)O)C(=O)O
• InChI: 1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1-/t7-/m0/s1
• InChIKey: YQDKULBMDMPFLH-FSRBREEPSA-N

Properties

• Density: 1.59g/cm³ (Cal.)
• Boiling point: 510.957°C at 760 mmHg (Cal.)
• Flash point: 262.817°C (Cal.)