(1R,3S)-3-(3,5-Dimethylbenzoyl)cyclopentanecarboxylic acid
[CAS# 732253-27-9]

Identification

• Name: (1R,3S)-3-(3,5-Dimethylbenzoyl)cyclopentanecarboxylic acid
• Synonyms: cis-3-(3,5-Dimethylbenzoyl)cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30
• CAS Registry Number: 732253-27-9
• SMILES: O=C(O)[C@H]1C[C@H](CC1)C(=O)c2cc(C)cc(C)c2
• InChI: 1S/C15H18O3/c1-9-5-10(2)7-13(6-9)14(16)11-3-4-12(8-11)15(17)18/h5-7,11-12H,3-4,8H2,1-2H3,(H,17,18)/t11-,12+/m0/s1
• InChIKey: ZJRUHBSZCZDRJH-NWDGAFQWSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 430.373°C at 760 mmHg (Cal.)
• Flash point: 228.223°C (Cal.)
• Refractive index: 1.563 (Cal.)