[(3R,4S)-3,4-Dihydroxy-1,5-Cyclohexadien-1-Yl]Acetonitrile
[CAS# 365458-97-5]

Identification

• Name: [(3R,4S)-3,4-Dihydroxy-1,5-Cyclohexadien-1-Yl]Acetonitrile
• Synonyms: 2-((3R,4S)-3,4-dihydroxycyclohexa-1,5-dien-1-yl)acetonitrile
• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 151.16
• CAS Registry Number: 365458-97-5
• SMILES: C1=CC(=C[C@H]([C@H]1O)O)CC#N
• InChI: 1S/C8H9NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,7-8,10-11H,3H2/t7-,8+/m0/s1
• InChIKey: QLJOJUFAWOSVDN-JGVFFNPUSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 331.1±42.0°C at 760 mmHg (Cal.)
• Flash point: 154.0±27.9°C (Cal.)
• Refractive index: 1.593 (Cal.)