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Details

Stereochemistry ACHIRAL
Molecular Formula C6H8O2
Molecular Weight 112.1265
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC1C(=O)CCC1=O

InChI

InChIKey=HXZILEQYFQYQCE-UHFFFAOYSA-N
InChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h4H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H8O2
Molecular Weight 112.1265
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 19:48:40 GMT 2025
Edited
by admin
on Mon Mar 31 19:48:40 GMT 2025
Record UNII
C9LG5VP01C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-1,3-CYCLOPENTANEDIONE
Systematic Name English
NSC-54458
Preferred Name English
2-CYCLOPENTEN-1-ONE, 3-HYDROXY-2-METHYL-
Systematic Name English
1,3-CYCLOPENTANEDIONE, 2-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
13005
Created by admin on Mon Mar 31 19:48:40 GMT 2025 , Edited by admin on Mon Mar 31 19:48:40 GMT 2025
PRIMARY
NSC
54458
Created by admin on Mon Mar 31 19:48:40 GMT 2025 , Edited by admin on Mon Mar 31 19:48:40 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-153-2
Created by admin on Mon Mar 31 19:48:40 GMT 2025 , Edited by admin on Mon Mar 31 19:48:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID30227309
Created by admin on Mon Mar 31 19:48:40 GMT 2025 , Edited by admin on Mon Mar 31 19:48:40 GMT 2025
PRIMARY
CAS
5870-63-3
Created by admin on Mon Mar 31 19:48:40 GMT 2025 , Edited by admin on Mon Mar 31 19:48:40 GMT 2025
ALTERNATIVE
CAS
765-69-5
Created by admin on Mon Mar 31 19:48:40 GMT 2025 , Edited by admin on Mon Mar 31 19:48:40 GMT 2025
PRIMARY
FDA UNII
C9LG5VP01C
Created by admin on Mon Mar 31 19:48:40 GMT 2025 , Edited by admin on Mon Mar 31 19:48:40 GMT 2025
PRIMARY