(1R,2R)-2-(3-Cyanobenzoyl)cyclopentanecarboxylic acid
[CAS# 733740-86-8]

Identification

• Name: (1R,2R)-2-(3-Cyanobenzoyl)cyclopentanecarboxylic acid
• Synonyms: trans-2-(3-cyanobenzoyl)cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₄H₁₃NO₃
• Molecular Weight: 243.26
• CAS Registry Number: 733740-86-8
• SMILES: O=C([C@@H]1CCC[C@H]1C(=O)O)c2cccc(C#N)c2
• InChI: 1S/C14H13NO3/c15-8-9-3-1-4-10(7-9)13(16)11-5-2-6-12(11)14(17)18/h1,3-4,7,11-12H,2,5-6H2,(H,17,18)/t11-,12-/m1/s1
• InChIKey: KFDRXXPMKDARCE-VXGBXAGGSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 462.86°C at 760 mmHg (Cal.)
• Flash point: 233.729°C (Cal.)
• Refractive index: 1.586 (Cal.)