3-Acetyl-4-hydroxy-1,3-cyclohexadiene-1-carbonitrile
[CAS# 95529-19-4]

Identification

• Name: 3-Acetyl-4-hydroxy-1,3-cyclohexadiene-1-carbonitrile
• Synonyms: 3-acetyl-4-hydroxycyclohexa-1,3-dienecarbonitrile
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.17
• CAS Registry Number: 95529-19-4
• SMILES: CC(=O)C1=C(CCC(=C1)C#N)O
• InChI: 1S/C9H9NO2/c1-6(11)8-4-7(5-10)2-3-9(8)12/h4,12H,2-3H2,1H3
• InChIKey: VHCMINBGKYEHSU-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 309.582°C at 760 mmHg (Cal.)
• Flash point: 141.03°C (Cal.)