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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O6
Molecular Weight 198.1296
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PUBERULIC ACID

SMILES

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

InChI

InChIKey=RRDGXYZZWSIADF-UHFFFAOYSA-N
InChI=1S/C8H6O6/c9-4-1-3(8(13)14)2-5(10)7(12)6(4)11/h1-2H,(H,13,14)(H3,9,10,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
PUBERULIC ACID
MI  
Common Name English
PUBERULIC ACID [MI]
Preferred Name English
3,4,6-TRIHYDROXY-5-OXO-1,3,6-CYCLOHEPTATRIENE-1-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70879321
Created by admin on Mon Mar 31 22:58:29 GMT 2025 , Edited by admin on Mon Mar 31 22:58:29 GMT 2025
PRIMARY
PUBCHEM
592860
Created by admin on Mon Mar 31 22:58:29 GMT 2025 , Edited by admin on Mon Mar 31 22:58:29 GMT 2025
PRIMARY
MERCK INDEX
m443
Created by admin on Mon Mar 31 22:58:29 GMT 2025 , Edited by admin on Mon Mar 31 22:58:29 GMT 2025
PRIMARY Merck Index
FDA UNII
456JC9FRVK
Created by admin on Mon Mar 31 22:58:29 GMT 2025 , Edited by admin on Mon Mar 31 22:58:29 GMT 2025
PRIMARY
CAS
99-23-0
Created by admin on Mon Mar 31 22:58:29 GMT 2025 , Edited by admin on Mon Mar 31 22:58:29 GMT 2025
PRIMARY