CNX

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Summary

Name:heptanenitrile
Synonyms:1-cyanohexane
Formula:C7 H13 N
Formal charge:0
Molecular weight:111.185 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04heptanenitrile
OpenEye OEToolkits1.5.0heptanenitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#CCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCC#N
SMILESCACTVS3.341CCCCCCC#N
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCC#N
SMILESOpenEye OEToolkits1.5.0CCCCCCC#N
InChIInChI1.03InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3
InChIKeyInChI1.03SDAXRHHPNYTELL-UHFFFAOYSA-N