| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M2GDW2QE6P |
| EPA CompTox | DTXSID30199057 |
Structure
| InChI Key | JVWLHJMVGBZOGY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H10O3 |
| Molecular Weight | 118.06 |
| AlogP | -0.33 |
| Hydrogen Bond Acceptor | 3.0 |
| 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 | 51052-01-8 |
| NORMAN SUSDAT | |
| FDA SRS | M2GDW2QE6P |
| PubChem | 3016589 |
| ChemSpider | 2284513.0 |
CONTENTS
