3-[(1R,2R)-2-Isopropyl-1-Methyl-5-Oxocyclopentyl]Propanenitrile
[CAS# 479578-37-5]

Identification

• Name: 3-[(1R,2R)-2-Isopropyl-1-Methyl-5-Oxocyclopentyl]Propanenitrile
• Synonyms: 3-((1R,2R)-2-isopropyl-1-methyl-5-oxocyclopentyl)propanenitrile
• Molecular Formula: C₁₂H₁₉NO
• Molecular Weight: 193.29
• CAS Registry Number: 479578-37-5
• SMILES: O=C1CC[C@H](C(C)C)[C@]1(CCC#N)C
• InChI: 1S/C12H19NO/c1-9(2)10-5-6-11(14)12(10,3)7-4-8-13/h9-10H,4-7H2,1-3H3/t10-,12-/m1/s1
• InChIKey: WJIZUTGQUOXXHB-ZYHUDNBSSA-N

Properties

• Density: 0.951g/cm³ (Cal.)
• Boiling point: 311.566°C at 760 mmHg (Cal.)
• Flash point: 142.23°C (Cal.)
• Refractive index: 1.458 (Cal.)