trans-2-Benzoyl-1-Cyclohexanecarboxylic Acid
[CAS# 3586-84-3]

Identification

• Name: trans-2-Benzoyl-1-Cyclohexanecarboxylic Acid
• Synonyms: (1R,2R)-2-(Oxo-Phenylmethyl)-1-Cyclohexanecarboxylate; (1R,2R)-2-Phenylcarbonylcyclohexane-1-Carboxylate; Zinc04262290
• Molecular Formula: C₁₄H₁₅O₃
• Molecular Weight: 231.27
• CAS Registry Number: 3586-84-3
• SMILES: [C@@H]1([C@@H](CCCC1)C([O-])=O)C(=O)C2=CC=CC=C2
• InChI: 1S/C14H16O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-3,6-7,11-12H,4-5,8-9H2,(H,16,17)/p-1/t11-,12-/m1/s1
• InChIKey: FLPQLUGZLPSVOG-VXGBXAGGSA-M

Properties

• Boiling point: 406.435°C at 760 mmHg (Cal.)
• Flash point: 213.762°C (Cal.)