Methyl (1R,4S,5S)-4-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carboxylate
[CAS# 847823-45-4]

Identification

• Name: Methyl (1R,4S,5S)-4-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carboxylate
• Synonyms: (1R,4S,8S)-methyl 4-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate
• Molecular Formula: C₉H₉FO₄
• Molecular Weight: 200.16
• CAS Registry Number: 847823-45-4
• SMILES: COC(=O)[C@@H]1C[C@@H]2C=C[C@]1(C(=O)O2)F
• InChI: 1S/C9H9FO4/c1-13-7(11)6-4-5-2-3-9(6,10)8(12)14-5/h2-3,5-6H,4H2,1H3/t5-,6-,9-/m0/s1
• InChIKey: CMQMARKWTHWAFS-WATHFIQWSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 300.5±42.0°C at 760 mmHg (Cal.)
• Flash point: 131.3±22.8°C (Cal.)
• Refractive index: 1.501 (Cal.)