(1R,2S)-2-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
[CAS# 735275-03-3]

Identification

• Name: (1R,2S)-2-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Synonyms: trans-2-[2-oxo-2-(4-nitrophenyl)ethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₇NO₅
• Molecular Weight: 291.30
• CAS Registry Number: 735275-03-3
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1ccc(cc1)[N+]([O-])=O
• InChI: 1S/C15H17NO5/c17-14(10-5-7-12(8-6-10)16(20)21)9-11-3-1-2-4-13(11)15(18)19/h5-8,11,13H,1-4,9H2,(H,18,19)/t11-,13+/m0/s1
• InChIKey: ZBGLYSOHRIXRFD-WCQYABFASA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 487.795°C at 760 mmHg (Cal.)
• Flash point: 202.08°C (Cal.)
• Refractive index: 1.569 (Cal.)