| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 278Y96Q13O |
| EPA CompTox | DTXSID1041213 |
Structure
| InChI Key | NPMRPDRLIHYOBW-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H20O3 |
| Molecular Weight | 176.14 |
| AlogP | 1.2 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 124-16-3 |
| NORMAN SUSDAT | |
| FDA SRS | 278Y96Q13O |
| ChemSpider | 29027.0 |
CONTENTS
