4-Cyano-2-methylbutanoic acid

Base Information

• Chemical Name: 4-Cyano-2-methylbutanoic acid
• CAS No.: 37810-29-0
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.143
• DSSTox Substance ID: DTXSID00596695
• Mol file: 37810-29-0.mol

Synonyms:4-Cyano-2-methylbutanoic acid;37810-29-0;SCHEMBL5400126;DTXSID00596695;AKOS006378250

Chemical Property of 4-Cyano-2-methylbutanoic acid

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 144

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC#N)C(=O)O

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