| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2UVZ94G8VM |
| EPA CompTox | DTXSID6068226 |
Structure
| InChI Key | SHAAIYJHUTYDST-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H8O3 |
| Molecular Weight | 104.05 |
| AlogP | -1.21 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 57.53 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40364-80-5 |
| NORMAN SUSDAT | |
| FDA SRS | 2UVZ94G8VM |
| PubChem | 170297 |
| ChemSpider | 148904.0 |
CONTENTS
