2-Ethyl-3-oxobutanenitrile

Base Information

• Chemical Name: 2-Ethyl-3-oxobutanenitrile
• CAS No.: 1780-46-7
• Molecular Formula: C₆H₉NO
• Molecular Weight: 111.144
• European Community (EC) Number: 845-716-1
• Nikkaji Number: J259.009C

Synonyms:2-ethyl-3-oxobutanenitrile;1780-46-7;3-cyanopentanone;SCHEMBL3314323;MFCD12115813;AKOS009860091;SY343211;EN300-182529;G38979

Chemical Property of 2-Ethyl-3-oxobutanenitrile

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 111.068413911
• Heavy Atom Count: 8
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CCC(C#N)C(=O)C

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