5-Isopropyl-7-Oxo-1,3,5-Cycloheptatriene-1-Carbonitrile
[CAS# 13785-55-2]

Identification

• Name: 5-Isopropyl-7-Oxo-1,3,5-Cycloheptatriene-1-Carbonitrile
• Synonyms: 5-isopropyl-7-oxocyclohepta-1,3,5-trienecarbonitrile
• Molecular Formula: C₁₁H₁₁NO
• Molecular Weight: 173.21
• CAS Registry Number: 13785-55-2
• SMILES: CC(C)c1cccc(c(=O)c1)C#N
• InChI: 1S/C11H11NO/c1-8(2)9-4-3-5-10(7-12)11(13)6-9/h3-6,8H,1-2H3
• InChIKey: SPUJMMXQOOZEJU-UHFFFAOYSA-N

Properties

• Density: 1.063g/cm³ (Cal.)
• Boiling point: 302.999°C at 760 mmHg (Cal.)
• Flash point: 137.049°C (Cal.)
• Refractive index: 1.529 (Cal.)