(1R,3S)-3-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
[CAS# 735275-45-3]

Identification

• Name: (1R,3S)-3-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Synonyms: cis-3-[2-oxo-2-(4-nitrophenyl)ethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₇NO₅
• Molecular Weight: 291.30
• CAS Registry Number: 735275-45-3
• SMILES: O=C(C[C@@H]1C[C@@H](CCC1)C(O)=O)c2ccc(cc2)[N+]([O-])=O
• InChI: 1S/C15H17NO5/c17-14(11-4-6-13(7-5-11)16(20)21)9-10-2-1-3-12(8-10)15(18)19/h4-7,10,12H,1-3,8-9H2,(H,18,19)/t10-,12+/m0/s1
• InChIKey: OUMGDKNJBOQXND-CMPLNLGQSA-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.)