(1R,3S)-3-(2-Oxo-2-phenylethyl)cyclohexanecarboxylic acid
[CAS# 735275-04-4]

Identification

• Name: (1R,3S)-3-(2-Oxo-2-phenylethyl)cyclohexanecarboxylic acid
• Synonyms: cis-3-(2-oxo-2-phenylethyl)cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30
• CAS Registry Number: 735275-04-4
• SMILES: O=C(C[C@@H]1C[C@@H](CCC1)C(O)=O)c2ccccc2
• InChI: 1S/C15H18O3/c16-14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)15(17)18/h1-3,6-7,11,13H,4-5,8-10H2,(H,17,18)/t11-,13+/m0/s1
• InChIKey: PVKLKPBXJCWRBO-WCQYABFASA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 418.515°C at 760 mmHg (Cal.)
• Flash point: 221.06°C (Cal.)
• Refractive index: 1.543 (Cal.)