| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10183575 |
| InChI Key | IDLCDDZNXSUZGD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O6 |
| Molecular Weight | 220.09 |
| AlogP | -0.77 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 93.06 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 29338-37-2 |
| NORMAN SUSDAT | |
| PubChem | 121819 |
| ChemSpider | 108685.0 |