(1S,5S,6S)-6-Acetyl-2-Oxabicyclo[3.1.0]Hex-3-Ene-3-Carbonitrile
[CAS# 121262-21-3]

Identification

• Name: (1S,5S,6S)-6-Acetyl-2-Oxabicyclo[3.1.0]Hex-3-Ene-3-Carbonitrile
• Synonyms: 2-(dihydroxymethyl)-2,5-dihydrofuran-2,5-diol
• Molecular Formula: C₈H₇NO₂
• Molecular Weight: 149.15
• CAS Registry Number: 121262-21-3
• SMILES: CC(=O)[C@H]1[C@H]2[C@@H]1OC(=C2)C#N
• InChI: 1S/C8H7NO2/c1-4(10)7-6-2-5(3-9)11-8(6)7/h2,6-8H,1H3/t6-,7-,8-/m0/s1
• InChIKey: FXUYHJPTYLPKPD-FXQIFTODSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 289.111°C at 760 mmHg (Cal.)
• Flash point: 124.649°C (Cal.)
• Refractive index: 1.541 (Cal.)