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PE9

Summary
Name:PENTAN-1-OL
Formula:C5 H12 O
Formal charge:0
Formula weight:88.148 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04pentan-1-ol
OpenEye OEToolkits1.5.0pentan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCCCCC
SMILES_CANONICALCACTVS3.341CCCCCO
SMILESCACTVS3.341CCCCCO
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCO
SMILESOpenEye OEToolkits1.5.0CCCCCO
InChIInChI1.03InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKeyInChI1.03AMQJEAYHLZJPGS-UHFFFAOYSA-N

225158

PDB entries from 2024-09-18

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