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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-HEPTANEDIONE

SMILES

CCC(=O)CCC(C)=O

InChI

InChIKey=HGRGPAAXHOTBAM-UHFFFAOYSA-N
InChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H12O2
Molecular Weight 128.169
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 Mon Mar 31 22:24:18 GMT 2025
Edited
by admin
on Mon Mar 31 22:24:18 GMT 2025
Record UNII
UP8A88O1MS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-HEPTANEDIONE
Preferred Name English
Code System Code Type Description
PUBCHEM
15559
Created by admin on Mon Mar 31 22:24:18 GMT 2025 , Edited by admin on Mon Mar 31 22:24:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID7073272
Created by admin on Mon Mar 31 22:24:18 GMT 2025 , Edited by admin on Mon Mar 31 22:24:18 GMT 2025
PRIMARY
CAS
1703-51-1
Created by admin on Mon Mar 31 22:24:18 GMT 2025 , Edited by admin on Mon Mar 31 22:24:18 GMT 2025
PRIMARY
FDA UNII
UP8A88O1MS
Created by admin on Mon Mar 31 22:24:18 GMT 2025 , Edited by admin on Mon Mar 31 22:24:18 GMT 2025
PRIMARY