| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50197454 |
Structure
| InChI Key | PCYADPMXIILFTP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O3 |
| Molecular Weight | 148.11 |
| AlogP | 1.03 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4819-75-4 |
| NORMAN SUSDAT | |
| PubChem | 78539 |
| ChemSpider | 21171500.0 |
CONTENTS
