Chem
J-GLOBAL ID：200907056309399191   Nikkaji number：J27.730D

4,4-Dimethyl-3-oxovaleronitrile

4,4-ジメチル-3-オキソバレロニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C7H11NO
Molecular formula furigana： C7-H11-N-O
Molecular weight： 125.171
InChI： InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChI key： MXZMACXOMZKYHJ-UHFFFAOYSA-N
SMILES： CC(C)(C)C(=O)CC#N
Systematic name  (5)：
  • 4,4-ジメチル-3-オキソ-ペンタンニトリル
  • 4,4-ジメチル-3-オキソペンタンニトリル
  • 3-オキソ-4,4-ジメチルペンタンニトリル
  • 4,4-ジメチル-3-オキソバレロニトリル
  • 4,4-dimethyl-3-oxopentanenitrile
Other name (3)：
  • 4,4-Dimethyl-3-oxopentanenitrile
  • 3-Oxo-4,4-dimethylpentanenitrile
  • 4,4-Dimethyl-3-oxovaleronitrile
CAS registry number： 59997-51-2
Regulation number (5)：
  • 2-(6)-1023
  • EINECS2620171
  • TSCA(59997-51-2)
  • (2)-3720
  • 2-(6)-1333
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