| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GUB3D2SV2S |
| EPA CompTox | DTXSID4059255 |
Structure
| InChI Key | XHTYQFMRBQUCPX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O4 |
| Molecular Weight | 164.1 |
| AlogP | 0.61 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 36.92 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 102-52-3 |
| NORMAN SUSDAT | |
| FDA SRS | GUB3D2SV2S |
| PubChem | 66019 |
| ChemSpider | 59410.0 |
CONTENTS
