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Details

Stereochemistry RACEMIC
Molecular Formula C6H6O3
Molecular Weight 126.11
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-1,2,4-CYCLOPENTANETRIONE

SMILES

CC1C(=O)CC(=O)C1=O

InChI

InChIKey=FUWXZDKUAHOVLL-UHFFFAOYSA-N
InChI=1S/C6H6O3/c1-3-4(7)2-5(8)6(3)9/h3H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H6O3
Molecular Weight 126.11
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:00:03 GMT 2023
Edited
by admin
on Sat Dec 16 08:00:03 GMT 2023
Record UNII
3842P8E6WU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-1,2,4-CYCLOPENTANETRIONE
Systematic Name English
1,2,4-CYCLOPENTANETRIONE, 3-METHYL-
Systematic Name English
NSC-150953
Code English
NSC-403804
Code English
Code System Code Type Description
PUBCHEM
20594
Created by admin on Sat Dec 16 08:00:03 GMT 2023 , Edited by admin on Sat Dec 16 08:00:03 GMT 2023
PRIMARY
FDA UNII
3842P8E6WU
Created by admin on Sat Dec 16 08:00:03 GMT 2023 , Edited by admin on Sat Dec 16 08:00:03 GMT 2023
PRIMARY
NSC
403804
Created by admin on Sat Dec 16 08:00:03 GMT 2023 , Edited by admin on Sat Dec 16 08:00:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID0021622
Created by admin on Sat Dec 16 08:00:03 GMT 2023 , Edited by admin on Sat Dec 16 08:00:03 GMT 2023
PRIMARY
CAS
4505-54-8
Created by admin on Sat Dec 16 08:00:03 GMT 2023 , Edited by admin on Sat Dec 16 08:00:03 GMT 2023
PRIMARY
CAS
7180-56-5
Created by admin on Sat Dec 16 08:00:03 GMT 2023 , Edited by admin on Sat Dec 16 08:00:03 GMT 2023
ALTERNATIVE
NSC
150953
Created by admin on Sat Dec 16 08:00:03 GMT 2023 , Edited by admin on Sat Dec 16 08:00:03 GMT 2023
PRIMARY