| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8Z38BBG0ZJ |
| EPA CompTox | DTXSID7064607 |
Structure
| InChI Key | PTJDGKYFJYEAOK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.11 |
| AlogP | 1.53 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7251-90-3 |
| NORMAN SUSDAT | |
| FDA SRS | 8Z38BBG0ZJ |
| PubChem | 23688 |
| ChemSpider | 22150.0 |
CONTENTS
