(1S,4S,5R)-4-Ethyl-1-(3-Fluorophenyl)-3-Oxabicyclo[3.1.0]Hexan-2-One
[CAS# 528588-18-3]

Identification

• Name: (1S,4S,5R)-4-Ethyl-1-(3-Fluorophenyl)-3-Oxabicyclo[3.1.0]Hexan-2-One
• Synonyms: (1S,4S,5R)-4-ethyl-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one
• Molecular Formula: C₁₃H₁₃FO₂
• Molecular Weight: 220.24
• CAS Registry Number: 528588-18-3
• SMILES: CC[C@H]1[C@@H]2C[C@@]2(C(=O)O1)c3cccc(c3)F
• InChI: 1S/C13H13FO2/c1-2-11-10-7-13(10,12(15)16-11)8-4-3-5-9(14)6-8/h3-6,10-11H,2,7H2,1H3/t10-,11-,13+/m0/s1
• InChIKey: WPXCQLBTPXRDBN-GMXVVIOVSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 355.787°C at 760 mmHg (Cal.)
• Flash point: 163.296°C (Cal.)
• Refractive index: 1.556 (Cal.)