| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Z8F0DF6AF9 |
| EPA CompTox | DTXSID4044450 |
Structure
| InChI Key | RWNXXQFJBALKAX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22O3 |
| Molecular Weight | 190.16 |
| AlogP | 2.55 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 621-76-1 |
| NORMAN SUSDAT | |
| FDA SRS | Z8F0DF6AF9 |
| PubChem | 69311 |
| ChemSpider | 62522.0 |
CONTENTS
