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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

Molecular Formula C8H6O6
Molecular Weight 198.1296
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 22:58:29 GMT 2025
Edited
by admin
on Mon Mar 31 22:58:29 GMT 2025
Record UNII
456JC9FRVK
Record Status Validated (UNII)
Record Version
  • Download
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
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