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

Details

Stereochemistry MIXED
Molecular Formula C7H8O2
Molecular Weight 124.1372
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bicyclo[2.2.1]heptane-2,3-dione

SMILES

O=C1C2CCC(C2)C1=O

InChI

InChIKey=DTKVZNFHNGLJBS-UHFFFAOYSA-N
InChI=1S/C7H8O2/c8-6-4-1-2-5(3-4)7(6)9/h4-5H,1-3H2

HIDE SMILES / InChI

Molecular Formula C7H8O2
Molecular Weight 124.1372
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 15:44:42 GMT 2025
Edited
by admin
on Wed Apr 02 15:44:42 GMT 2025
Record UNII
RZM4E4ZE4F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bicyclo[2.2.1]heptane-2,3-dione
Systematic Name English
NSC-176178
Preferred Name English
2,3-Dioxonorbornane
Systematic Name English
2,3-Norbornanedione
Systematic Name English
Norcamphorquinone
Common Name English
Code System Code Type Description
NSC
176178
Created by admin on Wed Apr 02 15:44:42 GMT 2025 , Edited by admin on Wed Apr 02 15:44:42 GMT 2025
PRIMARY
FDA UNII
RZM4E4ZE4F
Created by admin on Wed Apr 02 15:44:42 GMT 2025 , Edited by admin on Wed Apr 02 15:44:42 GMT 2025
PRIMARY
CAS
6236-71-1
Created by admin on Wed Apr 02 15:44:42 GMT 2025 , Edited by admin on Wed Apr 02 15:44:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID80977908
Created by admin on Wed Apr 02 15:44:42 GMT 2025 , Edited by admin on Wed Apr 02 15:44:42 GMT 2025
PRIMARY
PUBCHEM
138696
Created by admin on Wed Apr 02 15:44:42 GMT 2025 , Edited by admin on Wed Apr 02 15:44:42 GMT 2025
PRIMARY