(3E)-3-Methyl-4-Nitro-3-Buten-2-One
[CAS# 155990-64-0]

Identification

• Name: (3E)-3-Methyl-4-Nitro-3-Buten-2-One
• Synonyms: 3-Buten-2-one, 3-methyl-4-nitro-
• Molecular Formula: C₅H₇NO₃
• Molecular Weight: 129.11
• CAS Registry Number: 155990-64-0
• SMILES: [O-][N+](=O)\C=C(\C(=O)C)C
• InChI: 1S/C5H7NO3/c1-4(5(2)7)3-6(8)9/h3H,1-2H3/b4-3+
• InChIKey: HBLOOLAOJAVRTK-ONEGZZNKSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 222.399°C at 760 mmHg (Cal.)
• Flash point: 100.467°C (Cal.)
• Refractive index: 1.457 (Cal.)