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9J6

Summary
Name:6-ethoxy-6-oxohexanoic acid
Synonyms:Adipic acid monoethyl ester
Formula:C8 H14 O4
Formal charge:0
Formula weight:174.194 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-ethoxy-6-oxohexanoic acid
OpenEye OEToolkits2.0.66-ethoxy-6-oxidanylidene-hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCCCC(=O)OCC
InChIInChI1.03InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKeyInChI1.03UZNLHJCCGYKCIL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)CCCCC(O)=O
SMILESCACTVS3.385CCOC(=O)CCCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)CCCCC(=O)O
SMILESOpenEye OEToolkits2.0.6CCOC(=O)CCCCC(=O)O

225399

PDB entries from 2024-09-25

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