| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4GXH7ZBU3C |
| EPA CompTox | DTXSID50205088 |
| InChI Key | CJFQIVAOBBTJCI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O5 |
| Molecular Weight | 198.05 |
| AlogP | 1.11 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 75.99 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5653-46-3 |
| NORMAN SUSDAT | |
| FDA SRS | 4GXH7ZBU3C |
| PubChem | 79737 |
| ChemSpider | 72036.0 |