4-Nitro-beta-oxophenylalanine
[CAS# 98879-73-3]

Identification

• Name: 4-Nitro-beta-oxophenylalanine
• Synonyms: 2-amino-3-(4-nitrophenyl)-3-oxopropanoic acid
• Molecular Formula: C₉H₈N₂O₅
• Molecular Weight: 224.17
• CAS Registry Number: 98879-73-3
• SMILES: C1=CC(=CC=C1C(=O)C(C(=O)O)N)[N+](=O)[O-]
• InChI: 1S/C9H8N2O5/c10-7(9(13)14)8(12)5-1-3-6(4-2-5)11(15)16/h1-4,7H,10H2,(H,13,14)
• InChIKey: KZRZEMYAHSIHNE-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 470.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 238.6±28.7°C (Cal.)