3-Oxoheptanenitrile

Base Information

• Chemical Name: 3-Oxoheptanenitrile
• CAS No.: 70102-84-0
• Molecular Formula: C7H11NO
• Molecular Weight: 125.17
• DSSTox Substance ID: DTXSID10449941
• Nikkaji Number: J2.367.919A
• Wikidata: Q82269486

Synonyms:3-oxoheptanenitrile;70102-84-0;Heptanenitrile, 3-oxo-;cyanohexanone;SCHEMBL3899647;DTXSID10449941;RIGUHSKPKSHQOK-UHFFFAOYSA-N;AKOS008118360;CS-0297368;EN300-43561

Chemical Property of 3-Oxoheptanenitrile

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 125.084063974
• Heavy Atom Count: 9
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: CCCCC(=O)CC#N

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