(1R,3S)-3-(2-Methylbenzoyl)cyclohexanecarboxylic acid
[CAS# 735269-68-8]

Identification

• Name: (1R,3S)-3-(2-Methylbenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-3-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30
• CAS Registry Number: 735269-68-8
• SMILES: O=C(O)[C@H]1C[C@H](CCC1)C(=O)c2ccccc2C
• InChI: 1S/C15H18O3/c1-10-5-2-3-8-13(10)14(16)11-6-4-7-12(9-11)15(17)18/h2-3,5,8,11-12H,4,6-7,9H2,1H3,(H,17,18)/t11-,12+/m0/s1
• InChIKey: DGBUMVZGPSXIHQ-NWDGAFQWSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 419.494°C at 760 mmHg (Cal.)
• Flash point: 221.651°C (Cal.)
• Refractive index: 1.557 (Cal.)