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A1ANH

Summary
Name:1,3-oxazole-4-carbonitrile
Formula:C4 H2 N2 O
Formal charge:0
Formula weight:94.071 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,3-oxazole-4-carbonitrile
OpenEye OEToolkits2.0.71,3-oxazole-4-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#Cc1cocn1
InChIInChI1.06InChI=1S/C4H2N2O/c5-1-4-2-7-3-6-4/h2-3H
InChIKeyInChI1.06UEEBKQWDBWDPKD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N#Cc1cocn1
SMILESCACTVS3.385N#Cc1cocn1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(nco1)C#N
SMILESOpenEye OEToolkits2.0.7c1c(nco1)C#N

226707

數據於2024-10-30公開中

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