[(5R,6S)-5,6-Dihydroxy-1,3-Cyclohexadien-1-Yl]Acetonitrile
[CAS# 365458-96-4]

Identification

• Name: [(5R,6S)-5,6-Dihydroxy-1,3-Cyclohexadien-1-Yl]Acetonitrile
• Synonyms: 2-((5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl)acetonitrile
• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 151.16
• CAS Registry Number: 365458-96-4
• SMILES: C1=C[C@H]([C@H](C(=C1)CC#N)O)O
• InChI: 1S/C8H9NO2/c9-5-4-6-2-1-3-7(10)8(6)11/h1-3,7-8,10-11H,4H2/t7-,8+/m1/s1
• InChIKey: XKWZQCZUPRLELZ-SFYZADRCSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 333.6±42.0°C at 760 mmHg (Cal.)
• Flash point: 155.5±27.9°C (Cal.)
• Refractive index: 1.593 (Cal.)