3BO

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Summary

Name:1H-indol-3-ylacetonitrile
Formula:C10 H8 N2
Formal charge:0
Molecular weight:156.184 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011H-indol-3-ylacetonitrile
OpenEye OEToolkits1.9.22-(1H-indol-3-yl)ethanenitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#CCc2c1ccccc1nc2
InChIInChI1.03InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChIKeyInChI1.03DMCPFOBLJMLSNX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N#CCc1c[nH]c2ccccc12
SMILESCACTVS3.385N#CCc1c[nH]c2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)c(c[nH]2)CC#N
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)c(c[nH]2)CC#N
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