2-Acetyl-4-oxopentanenitrile

Base Information

• Chemical Name: 2-Acetyl-4-oxopentanenitrile
• CAS No.: 4439-88-7
• Molecular Formula: C₇H₉NO₂
• Molecular Weight: 139.154
• DSSTox Substance ID: DTXSID001308510

Synonyms:2-Acetyl-4-oxopentanenitrile;DTXSID001308510;4439-88-7

Chemical Property of 2-Acetyl-4-oxopentanenitrile

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.063328530
• Heavy Atom Count: 10
• Complexity: 199

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MSDS Files:

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• Canonical SMILES: CC(=O)CC(C#N)C(=O)C

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