3-Nitrobicyclo[2.2.2]Octane-1-Carboxylic Acid
[CAS# 406947-31-7]

Identification

• Name: 3-Nitrobicyclo[2.2.2]Octane-1-Carboxylic Acid
• Synonyms: 3-nitrobicyclo[2.2.2]octane-1-carboxylic acid; BICYCLO[2.2.2]OCTANE-1-CARBOXYLICACID, 3-NITRO-
• Molecular Formula: C₉H₁₃NO₄
• Molecular Weight: 199.20
• CAS Registry Number: 406947-31-7
• SMILES: C1CC2(CCC1C(C2)[N+](=O)[O-])C(=O)O
• InChI: 1S/C9H13NO4/c11-8(12)9-3-1-6(2-4-9)7(5-9)10(13)14/h6-7H,1-5H2,(H,11,12)
• InChIKey: FHLOPWOQPJPYBO-UHFFFAOYSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 371.673°C at 760 mmHg (Cal.)
• Flash point: 164.701°C (Cal.)
• Refractive index: 1.549 (Cal.)