| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9W955270ZW |
| EPA CompTox | DTXSID70883105 |
Structure
| InChI Key | UXDDRFCJKNROTO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O5 |
| Molecular Weight | 176.07 |
| AlogP | -0.53 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 72.83 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 102-62-5 |
| NORMAN SUSDAT | |
| FDA SRS | 9W955270ZW |
| PubChem | 66021 |
| ChemSpider | 59412.0 |
CONTENTS
