(1R,2S)-2-Acetylcyclohexanecarboxylic acid
[CAS# 158430-34-3]

Identification

• Name: (1R,2S)-2-Acetylcyclohexanecarboxylic acid
• Molecular Formula: C₉H₁₄O₃
• Molecular Weight: 170.21
• CAS Registry Number: 158430-34-3
• SMILES: CC(=O)[C@H]1CCCC[C@H]1C(=O)O
• InChI: 1S/C9H14O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h7-8H,2-5H2,1H3,(H,11,12)/t7-,8-/m1/s1
• InChIKey: TUKYIYSUAUIYSI-HTQZYQBOSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 314.5±35.0°C at 760 mmHg (Cal.)
• Flash point: 158.2±22.4°C (Cal.)
• Refractive index: 1.485 (Cal.)