[(5S,6R)-5,6-Dihydroxy-1,3-Cyclohexadien-1-Yl]Acetonitrile
[CAS# 287104-64-7]

Identification

• Name: [(5S,6R)-5,6-Dihydroxy-1,3-Cyclohexadien-1-Yl]Acetonitrile
• Synonyms: 2-((5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl)acetonitrile
• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 151.16
• CAS Registry Number: 287104-64-7
• SMILES: N#CC/C1=C/C=C\[C@H](O)[C@@H]1O
• InChI: 1S/C8H9NO2/c9-5-4-6-2-1-3-7(10)8(6)11/h1-3,7-8,10-11H,4H2/t7-,8+/m0/s1
• InChIKey: XKWZQCZUPRLELZ-JGVFFNPUSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 333.565°C at 760 mmHg (Cal.)
• Flash point: 155.535°C (Cal.)
• Refractive index: 1.593 (Cal.)