3-amino-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)propanoic acid
[CAS# 682804-45-1]

Identification

• Name: 3-amino-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)propanoic acid
• Synonyms: 3-AMINO-3-(4-HYDROXY-3-METHOXY-5-NITRO-PHENYL)-PROPIONICACID
• Molecular Formula: C₁₀H₁₂N₂O₆
• Molecular Weight: 256.21
• CAS Registry Number: 682804-45-1
• SMILES: COc1cc(cc(c1O)[N+](=O)[O-])C(CC(=O)O)N
• InChI: 1S/C10H12N2O6/c1-18-8-3-5(6(11)4-9(13)14)2-7(10(8)15)12(16)17/h2-3,6,15H,4,11H2,1H3,(H,13,14)
• InChIKey: HVWDQBMXQGJLSY-UHFFFAOYSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 432.682°C at 760 mmHg (Cal.)
• Flash point: 215.479°C (Cal.)
• Refractive index: 1.623 (Cal.)