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Details

Stereochemistry ACHIRAL
Molecular Formula C7H10O3
Molecular Weight 142.1525
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-HEPTANETRIONE

SMILES

CC(=O)CC(=O)CC(C)=O

InChI

InChIKey=CTHCTLCNUREAJV-UHFFFAOYSA-N
InChI=1S/C7H10O3/c1-5(8)3-7(10)4-6(2)9/h3-4H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone.
2005-11
Name Type Language
2,4,6-HEPTANETRIONE
Systematic Name English
1,3-DIACETYLACETONE
Preferred Name English
2-PROPANONE, 1,3-DIACETYL-
Systematic Name English
DIACETYLACETONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60211650
Created by admin on Mon Mar 31 19:18:02 GMT 2025 , Edited by admin on Mon Mar 31 19:18:02 GMT 2025
PRIMARY
CAS
626-53-9
Created by admin on Mon Mar 31 19:18:02 GMT 2025 , Edited by admin on Mon Mar 31 19:18:02 GMT 2025
PRIMARY
PUBCHEM
12285
Created by admin on Mon Mar 31 19:18:02 GMT 2025 , Edited by admin on Mon Mar 31 19:18:02 GMT 2025
PRIMARY
FDA UNII
A95Z6Y7NCX
Created by admin on Mon Mar 31 19:18:02 GMT 2025 , Edited by admin on Mon Mar 31 19:18:02 GMT 2025
PRIMARY