Puberulic Acid
4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
Also Known As: Puberulic acid|Puberlic acid|PUBERULIC ACID [MI]|HY-N12700|TN7886|4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid|J3.533.327D|3,4,6-trihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid|3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid|1,3,6-Cycloheptatriene-1-carboxylic acid, 3,4,6-trihydroxy-5-oxo-|1,3,6-Cycloheptatriene-1-carboxylicacid, 3,4,6-trihydroxy-5-oxo-|1-Oxo-2,3,4-trihydroxycyclohepta-2,4,6-triene-6-carboxylic acid|3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid #|3-Oxo-4,5,6-trihydroxy-1,4,6-cycloheptatriene-1-carboxylic acid
| Molecular Formula | C8H6O6 |
|---|---|
| Molecular Weight | 198.01643 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.01643 |
| Monoisotopic Mass | 198.01643 |
| Heavy Atoms | 14 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 99-23-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C(C1=O)O)O)O)C(=O)O |
| InChIKey | RRDGXYZZWSIADF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Puberulic Acid (CAS 99-23-0), with molecular formula C8H6O6 and molecular weight 198.01643 g/mol. IUPAC: 4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid.
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