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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O3
Molecular Weight 144.1684
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-OXOHEPTANOIC ACID

SMILES

CC(=O)CCCCC(O)=O

InChI

InChIKey=IZOQMUVIDMLRDC-UHFFFAOYSA-N
InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C7H12O3
Molecular Weight 144.1684
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:08:01 GMT 2023
Edited
by admin
on Fri Dec 15 18:08:01 GMT 2023
Record UNII
4U902I8QZO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-OXOHEPTANOIC ACID
Systematic Name English
NSC-167591
Code English
5-ACETYLVALERIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
4U902I8QZO
Created by admin on Fri Dec 15 18:08:01 GMT 2023 , Edited by admin on Fri Dec 15 18:08:01 GMT 2023
PRIMARY
CAS
3128-07-2
Created by admin on Fri Dec 15 18:08:01 GMT 2023 , Edited by admin on Fri Dec 15 18:08:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID20953322
Created by admin on Fri Dec 15 18:08:01 GMT 2023 , Edited by admin on Fri Dec 15 18:08:01 GMT 2023
PRIMARY
PUBCHEM
98810
Created by admin on Fri Dec 15 18:08:01 GMT 2023 , Edited by admin on Fri Dec 15 18:08:01 GMT 2023
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NSC
167591
Created by admin on Fri Dec 15 18:08:01 GMT 2023 , Edited by admin on Fri Dec 15 18:08:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-512-2
Created by admin on Fri Dec 15 18:08:01 GMT 2023 , Edited by admin on Fri Dec 15 18:08:01 GMT 2023
PRIMARY