(1R,3S)-3-(2,6-Dimethylbenzoyl)cyclopentanecarboxylic acid
[CAS# 732253-13-3]

Identification

• Name: (1R,3S)-3-(2,6-Dimethylbenzoyl)cyclopentanecarboxylic acid
• Synonyms: cis-3-(2,6-dimethylbenzoyl)cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30
• CAS Registry Number: 732253-13-3
• SMILES: O=C(O)[C@H]1C[C@H](CC1)C(=O)c2c(C)cccc2C
• InChI: 1S/C15H18O3/c1-9-4-3-5-10(2)13(9)14(16)11-6-7-12(8-11)15(17)18/h3-5,11-12H,6-8H2,1-2H3,(H,17,18)/t11-,12+/m0/s1
• InChIKey: GSBKTQBHLQMSDH-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.)