| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3NC0UQ5EMR |
| EPA CompTox | DTXSID1058890 |
Structure
| InChI Key | IBHWREHFNDMRPR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6O5 |
| Molecular Weight | 170.02 |
| AlogP | 0.5 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 97.99 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 83-30-7 |
| NORMAN SUSDAT | |
| FDA SRS | 3NC0UQ5EMR |
| PubChem | 66520 |
| ChemSpider | 59891.0 |
CONTENTS
