(4E)-2,2-Dimethyl-3-Oxo-5-(4-Pyridinyl)-4-Pentenenitrile
[CAS# 502507-11-1]

Identification

• Name: (4E)-2,2-Dimethyl-3-Oxo-5-(4-Pyridinyl)-4-Pentenenitrile
• Synonyms: (E)-2,2-dimethyl-3-oxo-5-(pyridin-4-yl)pent-4-enenitrile
• Molecular Formula: C₁₂H₁₂N₂O
• Molecular Weight: 200.24
• CAS Registry Number: 502507-11-1
• SMILES: CC(C)(C#N)C(=O)/C=C/c1ccncc1
• InChI: 1S/C12H12N2O/c1-12(2,9-13)11(15)4-3-10-5-7-14-8-6-10/h3-8H,1-2H3/b4-3+
• InChIKey: SSMUIANAAHBCEL-ONEGZZNKSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Boiling point: 373.123°C at 760 mmHg (Cal.)
• Flash point: 179.458°C (Cal.)
• Refractive index: 1.565 (Cal.)