Chem
J-GLOBAL ID:200907076535458533   Nikkaji number:J626.662B

2-(2-Cyanoethyl)-3-isoxazolin-5-one

5-オキソ-3-イソオキサゾリン-2-プロピオニトリル
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: C6H6N2O2
Molecular formula furigana: C6-H6-N2-O2
Molecular weight: 138.126
InChI: InChI=1S/C6H6N2O2/c7-3-1-4-8-5-2-6(9)10-8/h2,5H,1,4H2
InChI key: DNSSEQBYSHSUGR-UHFFFAOYSA-N
SMILES: O=c1ccn(CCC#N)o1
Systematic name  (4):
  • 2-(2-シアノエチル)-3-イソオキサゾリン-5-オン
  • 5-オキソ-3-イソオキサゾリン-2-プロピオニトリル
  • 3-(5-オキソ-2,5-ジヒドロ-1,2-オキサゾール-2-イル)プロパンニトリル
  • 3-(5-oxo-2,5-dihydro-1,2-oxazol-2-yl)propanenitrile
Other name (2):
  • 2-(2-Cyanoethyl)-3-isoxazolin-5-one
  • 5-Oxo-3-isoxazoline-2-propionitrile
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