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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO3
Molecular Weight 179.1727
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-OXO-4-(3-PYRIDYL)BUTANOIC ACID

SMILES

OC(=O)CCC(=O)C1=CN=CC=C1

InChI

InChIKey=JGSUNMCABQUBOY-UHFFFAOYSA-N
InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C9H9NO3
Molecular Weight 179.1727
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:34:33 GMT 2023
Edited
by admin
on Sat Dec 16 15:34:33 GMT 2023
Record UNII
8Y4EX5XJ5B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-OXO-4-(3-PYRIDYL)BUTANOIC ACID
Systematic Name English
3-PYRIDINEBUTANOIC ACID, .GAMMA.-OXO-
Systematic Name English
.GAMMA.-OXO-3-PYRIDINEBUTANOIC ACID
Systematic Name English
4-OXO-4-(PYRIDIN-3-YL)BUTANOIC ACID
Systematic Name English
.GAMMA.-3-PYRIDYL-.GAMMA.-OXOBUTYRIC ACID
Systematic Name English
OPBA
Common Name English
Code System Code Type Description
CHEBI
66951
Created by admin on Sat Dec 16 15:34:34 GMT 2023 , Edited by admin on Sat Dec 16 15:34:34 GMT 2023
PRIMARY
PUBCHEM
437
Created by admin on Sat Dec 16 15:34:34 GMT 2023 , Edited by admin on Sat Dec 16 15:34:34 GMT 2023
PRIMARY
FDA UNII
8Y4EX5XJ5B
Created by admin on Sat Dec 16 15:34:34 GMT 2023 , Edited by admin on Sat Dec 16 15:34:34 GMT 2023
PRIMARY
CAS
4192-31-8
Created by admin on Sat Dec 16 15:34:34 GMT 2023 , Edited by admin on Sat Dec 16 15:34:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE