| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | C2WZ2BC98F |
| EPA CompTox | DTXSID80234321 |
Structure
| InChI Key | MLRHIIWKFRKPJB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O3 |
| Molecular Weight | 134.09 |
| AlogP | 0.64 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85168-86-1 |
| NORMAN SUSDAT | |
| FDA SRS | C2WZ2BC98F |
| PubChem | 98809 |
| ChemSpider | 89243.0 |
CONTENTS
