3-Oxooctanenitrile

Base Information

• Chemical Name: 3-Oxooctanenitrile
• CAS No.: 72306-54-8
• Molecular Formula: C8H13NO
• Molecular Weight: 139.197
• DSSTox Substance ID: DTXSID00546776
• Wikidata: Q82424686

Synonyms:3-oxooctanenitrile;72306-54-8;SCHEMBL3708578;DTXSID00546776

Chemical Property of 3-Oxooctanenitrile

Chemical Property:

• PSA: 40.86000
• LogP: 2.04948
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 139.099714038
• Heavy Atom Count: 10
• Complexity: 143

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)CC#N

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