3-(3-Methoxy-4-nitro-1,2-oxazol-5-yl)propanoic acid
[CAS# 861591-89-1]

Identification

• Name: 3-(3-Methoxy-4-nitro-1,2-oxazol-5-yl)propanoic acid
• Synonyms: 3-(3-Methoxy-4-nitro-1,2-oxazol-5-yl)propanoic acid; 3-(3-Methoxy-4-nitro-1,2-oxazol-5-yl)propansäure; 3-(3-methoxy-4-nitroisoxazol-5-yl)propanoic acid
• Molecular Formula: C₇H₈N₂O₆
• Molecular Weight: 216.15
• CAS Registry Number: 861591-89-1
• SMILES: COc1c(c(on1)CCC(=O)O)[N+](=O)[O-]
• InChI: 1S/C7H8N2O6/c1-14-7-6(9(12)13)4(15-8-7)2-3-5(10)11/h2-3H2,1H3,(H,10,11)
• InChIKey: SIUVETIISOKNQL-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 443.1±40.0°C at 760 mmHg (Cal.)
• Flash point: 221.8±27.3°C (Cal.)
• Refractive index: 1.541 (Cal.)