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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-oxohexanoate

SMILES

CCCCC(=O)C(=O)OCC

InChI

InChIKey=WRQGPGZATPOHHX-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-3-5-6-7(9)8(10)11-4-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Ethyl ?-ketocaproate
Preferred Name English
Ethyl 2-oxohexanoate
Systematic Name English
2-Keto Hexanoic acid ethyl ester
Systematic Name English
2-Oxohexanoic acid ethyl ester
Systematic Name English
Hexanoic acid, 2-oxo-, ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
10236026
Created by admin on Wed Apr 02 16:01:51 GMT 2025 , Edited by admin on Wed Apr 02 16:01:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID90437028
Created by admin on Wed Apr 02 16:01:51 GMT 2025 , Edited by admin on Wed Apr 02 16:01:51 GMT 2025
PRIMARY
CAS
5753-96-8
Created by admin on Wed Apr 02 16:01:51 GMT 2025 , Edited by admin on Wed Apr 02 16:01:51 GMT 2025
PRIMARY
FDA UNII
8CHS2NK8NX
Created by admin on Wed Apr 02 16:01:51 GMT 2025 , Edited by admin on Wed Apr 02 16:01:51 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of Ethyl 2-oxohexanoate
NIH
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