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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H4O4
Molecular Weight 140.0936
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Comanic Acid

SMILES

OC(=O)C1=CC(=O)C=CO1

InChI

InChIKey=UFMDRPPBUAPWBK-UHFFFAOYSA-N
InChI=1S/C6H4O4/c7-4-1-2-10-5(3-4)6(8)9/h1-3H,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C6H4O4
Molecular Weight 140.0936
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 Sat Dec 16 05:42:33 GMT 2023
Edited
by admin
on Sat Dec 16 05:42:33 GMT 2023
Record UNII
FEF84NM2E9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Comanic Acid
Common Name English
4-Oxo-4H-pyran-2-carboxylic acid
Systematic Name English
4H-Pyran-2-carboxylic acid, 4-oxo-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00486729
Created by admin on Sat Dec 16 05:42:33 GMT 2023 , Edited by admin on Sat Dec 16 05:42:33 GMT 2023
PRIMARY
PUBCHEM
12305536
Created by admin on Sat Dec 16 05:42:33 GMT 2023 , Edited by admin on Sat Dec 16 05:42:33 GMT 2023
PRIMARY
FDA UNII
FEF84NM2E9
Created by admin on Sat Dec 16 05:42:33 GMT 2023 , Edited by admin on Sat Dec 16 05:42:33 GMT 2023
PRIMARY
CAS
499-05-8
Created by admin on Sat Dec 16 05:42:33 GMT 2023 , Edited by admin on Sat Dec 16 05:42:33 GMT 2023
PRIMARY