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Details

Stereochemistry RACEMIC
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-5-OXOHEXANOIC ACID

SMILES

CCC(CCC(C)=O)C(O)=O

InChI

InChIKey=ZLEMAINZCCYLAD-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-3-7(8(10)11)5-4-6(2)9/h7H,3-5H2,1-2H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:28:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:28:47 GMT 2023
Record UNII
FY15H3F0WE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYL-5-OXOHEXANOIC ACID
Systematic Name English
2-ETHYL-5-KETOHEXANOIC ACID
Systematic Name English
HEXANOIC ACID, 2-ETHYL-5-OXO-
Systematic Name English
Code System Code Type Description
FDA UNII
FY15H3F0WE
Created by admin on Sat Dec 16 12:28:47 GMT 2023 , Edited by admin on Sat Dec 16 12:28:47 GMT 2023
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PUBCHEM
185900
Created by admin on Sat Dec 16 12:28:47 GMT 2023 , Edited by admin on Sat Dec 16 12:28:47 GMT 2023
PRIMARY
CAS
58045-80-0
Created by admin on Sat Dec 16 12:28:47 GMT 2023 , Edited by admin on Sat Dec 16 12:28:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID20973626
Created by admin on Sat Dec 16 12:28:47 GMT 2023 , Edited by admin on Sat Dec 16 12:28:47 GMT 2023
PRIMARY