(4aR,8aS)-8a-Methyl-3-oxooctahydronaphthalene-4a(2H)-carbonitrile

Base Information

• Chemical Name: (4aR,8aS)-8a-Methyl-3-oxooctahydronaphthalene-4a(2H)-carbonitrile
• CAS No.: 943-95-3
• Molecular Formula: C₁₂H₁₇NO
• Molecular Weight: 191.273
• DSSTox Substance ID: DTXSID30511210

Synonyms:943-95-3;DTXSID30511210;(4aR,8aS)-8a-Methyl-3-oxooctahydronaphthalene-4a(2H)-carbonitrile

Chemical Property of (4aR,8aS)-8a-Methyl-3-oxooctahydronaphthalene-4a(2H)-carbonitrile

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 314

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCCC1(CC(=O)CC2)C#N
• Isomeric SMILES: C[C@@]12CCCC[C@]1(CC(=O)CC2)C#N

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