(1R,2S)-2-(2,3-Dimethylbenzoyl)cyclopentanecarboxylic acid
[CAS# 733740-17-5]

Identification

• Name: (1R,2S)-2-(2,3-Dimethylbenzoyl)cyclopentanecarboxylic acid
• Synonyms: cis-2-(2,3-dimethylbenzoyl)cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30
• CAS Registry Number: 733740-17-5
• SMILES: O=C([C@H]1CCC[C@H]1C(=O)O)c2cccc(C)c2C
• InChI: 1S/C15H18O3/c1-9-5-3-6-11(10(9)2)14(16)12-7-4-8-13(12)15(17)18/h3,5-6,12-13H,4,7-8H2,1-2H3,(H,17,18)/t12-,13+/m0/s1
• InChIKey: FQEGSIOKFYJWIQ-QWHCGFSZSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 429.141°C at 760 mmHg (Cal.)
• Flash point: 227.479°C (Cal.)
• Refractive index: 1.563 (Cal.)