(1R,3S)-3-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
[CAS# 735275-41-9]

Identification

• Name: (1R,3S)-3-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
• Synonyms: cis-3-[2-Oxo-2-(3-trifluoromethylphenyl)ethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₁₇F₃O₃
• Molecular Weight: 314.30
• CAS Registry Number: 735275-41-9
• SMILES: O=C(C[C@@H]1C[C@@H](CCC1)C(O)=O)c2cccc(c2)C(F)(F)F
• InChI: 1S/C16H17F3O3/c17-16(18,19)13-6-2-4-11(9-13)14(20)8-10-3-1-5-12(7-10)15(21)22/h2,4,6,9-10,12H,1,3,5,7-8H2,(H,21,22)/t10-,12+/m0/s1
• InChIKey: JWKYUZAQKFDNFR-CMPLNLGQSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 408.782°C at 760 mmHg (Cal.)
• Flash point: 201.024°C (Cal.)
• Refractive index: 1.498 (Cal.)