(S)-Amino-(3-Nitro-Phenyl)-Acetic Acid
[CAS# 158413-55-9]

Identification

• Name: (S)-Amino-(3-Nitro-Phenyl)-Acetic Acid
• Synonyms: (2S)-2-Ammonio-2-(3-Nitrophenyl)Acetate; (2S)-2-Azaniumyl-2-(3-Nitrophenyl)Ethanoate; Zinc04202371
• Molecular Formula: C₈H₈N₂O₄
• Molecular Weight: 196.16
• CAS Registry Number: 158413-55-9
• SMILES: [C@H]([NH3+])(C1=CC=CC(=C1)[N+]([O-])=O)C([O-])=O
• InChI: 1S/C8H8N2O4/c9-7(8(11)12)5-2-1-3-6(4-5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m0/s1
• InChIKey: RJMYTHGQVJWWJO-ZETCQYMHSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 370.262°C at 760 mmHg (Cal.)
• Flash point: 177.729°C (Cal.)