(3E)-3-(Hydroxymethylene)-6-Oxo-1,4-Cyclohexadiene-1-Carbonitrile
[CAS# 187152-05-2]

Identification

• Name: (3E)-3-(Hydroxymethylene)-6-Oxo-1,4-Cyclohexadiene-1-Carbonitrile
• Synonyms: (E)-3-(hydroxymethylene)-6-oxocyclohexa-1,4-dienecarbonitrile
• Molecular Formula: C₈H₅NO₂
• Molecular Weight: 147.13
• CAS Registry Number: 187152-05-2
• SMILES: C\1=CC(=O)C(=C/C1=C/O)C#N
• InChI: 1S/C8H5NO2/c9-4-7-3-6(5-10)1-2-8(7)11/h1-3,5,10H/b6-5+
• InChIKey: PXPAVPSEXWFBLZ-AATRIKPKSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 268.7±40.0°C at 760 mmHg (Cal.)
• Flash point: 116.3±27.3°C (Cal.)
• Refractive index: 1.602 (Cal.)