4-(2-Nitrophenyl)-4-Oxo-2-Hydroxybutanoic Acid
[CAS# 81008-16-4]

Identification

• Name: 4-(2-Nitrophenyl)-4-Oxo-2-Hydroxybutanoic Acid
• Synonyms: 2-Hydroxy-4-(2-Nitrophenyl)-4-Oxo-Butanoic Acid; 2-Hydroxy-4-Keto-4-(2-Nitrophenyl)Butyric Acid; Benzenebutanoic Acid, Alpha-Hydroxy-2-Nitro-Gamma-Oxo-
• Molecular Formula: C₁₀H₉NO₆
• Molecular Weight: 239.18
• CAS Registry Number: 81008-16-4
• SMILES: C1=C(C(=CC=C1)C(CC(C(=O)O)O)=O)[N+](=O)[O-]
• InChI: 1S/C10H9NO6/c12-8(5-9(13)10(14)15)6-3-1-2-4-7(6)11(16)17/h1-4,9,13H,5H2,(H,14,15)
• InChIKey: KGVHLWMEJRHDFN-UHFFFAOYSA-N

Properties

• Density: 1.511g/cm³ (Cal.)
• Boiling point: 533.353°C at 760 mmHg (Cal.)
• Flash point: 233.25°C (Cal.)