(1R,3S)-3-Benzoylcyclopentanecarboxylic acid
[CAS# 732251-89-7]

Identification

• Name: (1R,3S)-3-Benzoylcyclopentanecarboxylic acid
• Synonyms: cis-3-Benzoylcyclopentane-1-carboxylic acid; MFCD01311185
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.25
• CAS Registry Number: 732251-89-7
• SMILES: O=C(O)[C@H]1C[C@H](CC1)C(=O)c2ccccc2
• InChI: 1S/C13H14O3/c14-12(9-4-2-1-3-5-9)10-6-7-11(8-10)13(15)16/h1-5,10-11H,6-8H2,(H,15,16)/t10-,11+/m0/s1
• InChIKey: BXPBLRRKIQAMIP-WDEREUQCSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Melting point: 64-67°C (Expl.)
• Boiling point: 393.672°C at 760 mmHg (Cal.)
• Flash point: 206.052°C (Cal.)
• Refractive index: 1.574 (Cal.)

Safety Data

• Safety Description: IRRITANT