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OCT

Summary
Name:N-OCTANE
Formula:C8 H18
Formal charge:0
Formula weight:114.229 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04octane
OpenEye OEToolkits1.5.0octane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04CCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCC
SMILESCACTVS3.341CCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCC
InChIInChI1.03InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKeyInChI1.03TVMXDCGIABBOFY-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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