(1R,2R)-2-(2-Cyanobenzoyl)cyclopentanecarboxylic acid
[CAS# 733740-85-7]

Identification

• Name: (1R,2R)-2-(2-Cyanobenzoyl)cyclopentanecarboxylic acid
• Synonyms: trans-2-(2-cyanobenzoyl)cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₄H₁₃NO₃
• Molecular Weight: 243.26
• CAS Registry Number: 733740-85-7
• SMILES: O=C([C@@H]1CCC[C@H]1C(=O)O)c2ccccc2C#N
• InChI: 1S/C14H13NO3/c15-8-9-4-1-2-5-10(9)13(16)11-6-3-7-12(11)14(17)18/h1-2,4-5,11-12H,3,6-7H2,(H,17,18)/t11-,12-/m1/s1
• InChIKey: ZFLWCWLNGYIOGT-VXGBXAGGSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 478.483°C at 760 mmHg (Cal.)
• Flash point: 243.178°C (Cal.)
• Refractive index: 1.586 (Cal.)