U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O3
Molecular Weight 140.1366
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Acetyl-1,3-cyclopentanedione

SMILES

CC(=O)C1C(=O)CCC1=O

InChI

InChIKey=WYBUYWCJZMQESH-UHFFFAOYSA-N
InChI=1S/C7H8O3/c1-4(8)7-5(9)2-3-6(7)10/h7H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H8O3
Molecular Weight 140.1366
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 Wed Apr 02 12:09:28 GMT 2025
Edited
by admin
on Wed Apr 02 12:09:28 GMT 2025
Record UNII
L7EGG43BM6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-351093
Preferred Name English
2-Acetyl-1,3-cyclopentanedione
Systematic Name English
2-Acetylcyclopentane-1,3-dione
Systematic Name English
1,3-Cyclopentanedione, 2-acetyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
336473
Created by admin on Wed Apr 02 12:09:28 GMT 2025 , Edited by admin on Wed Apr 02 12:09:28 GMT 2025
PRIMARY
CAS
3859-39-0
Created by admin on Wed Apr 02 12:09:28 GMT 2025 , Edited by admin on Wed Apr 02 12:09:28 GMT 2025
PRIMARY
NSC
351093
Created by admin on Wed Apr 02 12:09:28 GMT 2025 , Edited by admin on Wed Apr 02 12:09:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID30319814
Created by admin on Wed Apr 02 12:09:28 GMT 2025 , Edited by admin on Wed Apr 02 12:09:28 GMT 2025
PRIMARY
FDA UNII
L7EGG43BM6
Created by admin on Wed Apr 02 12:09:28 GMT 2025 , Edited by admin on Wed Apr 02 12:09:28 GMT 2025
PRIMARY