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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 2,6-HEPTANEDIONE

SMILES

CC(=O)CCCC(C)=O

InChI

InChIKey=VAIFYHGFLAPCON-UHFFFAOYSA-N
InChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/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 19:31:49 GMT 2025
Edited
by admin
on Mon Mar 31 19:31:49 GMT 2025
Record UNII
5TGX4QZ67H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-HEPTANEDIONE
Systematic Name English
NSC-315627
Preferred Name English
HEPTANE-2,6-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
5TGX4QZ67H
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID90159233
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY
PUBCHEM
100532
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY
NSC
315627
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY
ECHA (EC/EINECS)
236-832-8
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY
CAS
13505-34-5
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY