[(1R,6S)-1,6-Dihydroxy-2,4-Cyclohexadien-1-Yl]Acetonitrile
[CAS# 365458-95-3]

Identification

• Name: [(1R,6S)-1,6-Dihydroxy-2,4-Cyclohexadien-1-Yl]Acetonitrile
• Synonyms: 2-((1R,6S)-1,6-dihydroxycyclohexa-2,4-dien-1-yl)acetonitrile
• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 151.16
• CAS Registry Number: 365458-95-3
• SMILES: C1=C[C@@H]([C@](C=C1)(CC#N)O)O
• InChI: 1S/C8H9NO2/c9-6-5-8(11)4-2-1-3-7(8)10/h1-4,7,10-11H,5H2/t7-,8-/m0/s1
• InChIKey: KULDNZAVKBWAEM-YUMQZZPRSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 351.8±42.0°C at 760 mmHg (Cal.)
• Flash point: 166.6±27.9°C (Cal.)
• Refractive index: 1.589 (Cal.)