(1R,2S)-2-(2,6-Dimethylbenzoyl)cyclopentanecarboxylic acid
[CAS# 733740-20-0]

Identification

• Name: (1R,2S)-2-(2,6-Dimethylbenzoyl)cyclopentanecarboxylic acid
• Synonyms: cis-2-(2,6-dimethylbenzoyl)cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30
• CAS Registry Number: 733740-20-0
• SMILES: O=C([C@H]1CCC[C@H]1C(=O)O)c2c(C)cccc2C
• InChI: 1S/C15H18O3/c1-9-5-3-6-10(2)13(9)14(16)11-7-4-8-12(11)15(17)18/h3,5-6,11-12H,4,7-8H2,1-2H3,(H,17,18)/t11-,12+/m0/s1
• InChIKey: YJKRDFOFRNIAIY-NWDGAFQWSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 418.331°C at 760 mmHg (Cal.)
• Flash point: 220.949°C (Cal.)
• Refractive index: 1.563 (Cal.)