(1R,2S)-2-(2-Methoxybenzoyl)cyclohexanecarboxylic acid
[CAS# 733742-61-5]

Identification

• Name: (1R,2S)-2-(2-Methoxybenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-2-(2-methoxybenzoyl)cyclohexane-1-carboxylic acid; MFCD01311249
• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.30
• CAS Registry Number: 733742-61-5
• SMILES: O=C([C@H]1CCCC[C@H]1C(O)=O)c2ccccc2OC
• InChI: 1S/C15H18O4/c1-19-13-9-5-4-8-12(13)14(16)10-6-2-3-7-11(10)15(17)18/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,18)/t10-,11+/m0/s1
• InChIKey: YMKNKDVVOXIHBR-WDEREUQCSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Melting point: 141-149°C (Expl.)
• Boiling point: 438.314°C at 760 mmHg (Cal.)
• Flash point: 163.266°C (Cal.)
• Refractive index: 1.551 (Cal.)

Safety Data

• Safety Description: IRRITANT