| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H5EVV4LP59 |
| EPA CompTox | DTXSID10158420 |
Structure
| InChI Key | PHOJOSOUIAQEDH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H10O3 |
| Molecular Weight | 118.06 |
| AlogP | 0.23 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 57.53 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13392-69-3 |
| NORMAN SUSDAT | |
| FDA SRS | H5EVV4LP59 |
| PubChem | 25945 |
CONTENTS
