(1R,3aR,7aS)-1-Hydroxy-1-methyl-7-methyleneoctahydro-3aH-indene-3a-carbonitrile
[CAS# 450406-27-6]

Identification

• Name: (1R,3aR,7aS)-1-Hydroxy-1-methyl-7-methyleneoctahydro-3aH-indene-3a-carbonitrile
• Synonyms: (1R,3aR,7aS)-1-hydroxy-1-methyl-7-methyleneoctahydro-1H-indene-3a-carbonitrile
• Molecular Formula: C₁₂H₁₇NO
• Molecular Weight: 191.27
• CAS Registry Number: 450406-27-6
• SMILES: C[C@]1(CC[C@]2([C@@H]1C(=C)CCC2)C#N)O
• InChI: 1S/C12H17NO/c1-9-4-3-5-12(8-13)7-6-11(2,14)10(9)12/h10,14H,1,3-7H2,2H3/t10-,11-,12+/m1/s1
• InChIKey: HUDQZWSXUBCZCR-UTUOFQBUSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 324.9±35.0°C at 760 mmHg (Cal.)
• Flash point: 150.3±25.9°C (Cal.)
• Refractive index: 1.527 (Cal.)