(E)-3-Methyl-4-(Methyl-Aci-Nitro)-5(4H)-Isoxazolone
[CAS# 84735-86-4]

Identification

• Name: (E)-3-Methyl-4-(Methyl-Aci-Nitro)-5(4H)-Isoxazolone
• Synonyms: (E)-methyl (3-methyl-5-oxoisoxazol-4(5H)-ylidene)azinate
• Molecular Formula: C₅H₆N₂O₄
• Molecular Weight: 158.11
• CAS Registry Number: 84735-86-4
• SMILES: CC\1=NOC(=O)/C1=[N+](\[O-])/OC
• InChI: 1S/C5H6N2O4/c1-3-4(7(9)10-2)5(8)11-6-3/h1-2H3/b7-4+
• InChIKey: POLNZSDGVCEIAP-QPJJXVBHSA-N

Properties

• Density: 1.495g/cm³ (Cal.)
• Boiling point: 222.418°C at 760 mmHg (Cal.)
• Flash point: 88.316°C (Cal.)