(1R,2S)-2-(3,4-Dimethylbenzoyl)cyclopentanecarboxylic acid
[CAS# 733740-21-1]

Identification

• Name: (1R,2S)-2-(3,4-Dimethylbenzoyl)cyclopentanecarboxylic acid
• Synonyms: cis-2-(3,4-dimethylbenzoyl)cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30
• CAS Registry Number: 733740-21-1
• SMILES: O=C([C@H]1CCC[C@H]1C(=O)O)c2ccc(C)c(C)c2
• InChI: 1S/C15H18O3/c1-9-6-7-11(8-10(9)2)14(16)12-4-3-5-13(12)15(17)18/h6-8,12-13H,3-5H2,1-2H3,(H,17,18)/t12-,13+/m0/s1
• InChIKey: UPTWQRAGCGYSIG-QWHCGFSZSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 434.969°C at 760 mmHg (Cal.)
• Flash point: 231°C (Cal.)
• Refractive index: 1.563 (Cal.)