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BKN

Summary
Name:ethyl 5-oxohexanoate
Formula:C8 H14 O3
Formal charge:0
Formula weight:158.195 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6ethyl 5-oxidanylidenehexanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
InChIKeyInChI1.03MGPSIDGTLFKDEY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)CCCC(C)=O
SMILESCACTVS3.385CCOC(=O)CCCC(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)CCCC(=O)C
SMILESOpenEye OEToolkits2.0.6CCOC(=O)CCCC(=O)C

223166

PDB entries from 2024-07-31

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