(1R,2S)-2-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid
[CAS# 733742-67-1]

Identification

• Name: (1R,2S)-2-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-2-(2,3-dimethylbenzoyl)cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 733742-67-1
• SMILES: O=C([C@H]1CCCC[C@H]1C(O)=O)c2cccc(C)c2C
• InChI: 1S/C16H20O3/c1-10-6-5-9-12(11(10)2)15(17)13-7-3-4-8-14(13)16(18)19/h5-6,9,13-14H,3-4,7-8H2,1-2H3,(H,18,19)/t13-,14+/m0/s1
• InChIKey: KXDFPUOTMLTPRU-UONOGXRCSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 441.768°C at 760 mmHg (Cal.)
• Flash point: 235.107°C (Cal.)
• Refractive index: 1.553 (Cal.)