2-Hydroxy-7-isopropyl-3-oxo-1,4,6-cycloheptatriene-1,4-dicarbonitrile
[CAS# 804431-91-2]

Identification

• Name: 2-Hydroxy-7-isopropyl-3-oxo-1,4,6-cycloheptatriene-1,4-dicarbonitrile
• Synonyms: 2-hydroxy-7-isopropyl-3-oxocyclohepta-1,4,6-triene-1,4-dicarbonitrile
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.22
• CAS Registry Number: 804431-91-2
• SMILES: CC(C)c1ccc(c(=O)c(c1C#N)O)C#N
• InChI: 1S/C12H10N2O2/c1-7(2)9-4-3-8(5-13)11(15)12(16)10(9)6-14/h3-4,7H,1-2H3,(H,15,16)
• InChIKey: KASXWCDGRPWZTR-UHFFFAOYSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 306.724°C at 760 mmHg (Cal.)
• Flash point: 139.302°C (Cal.)
• Refractive index: 1.57 (Cal.)