| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MHH79K1BVR |
| EPA CompTox | DTXSID40915184 |
Structure
| InChI Key | YTBSYETUWUMLBZ-IMJSIDKUSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H8O4 |
| Molecular Weight | 120.04 |
| AlogP | -2.1 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 77.76 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 95-44-3 |
| NORMAN SUSDAT | |
| FDA SRS | MHH79K1BVR |
| PubChem | 5460672 |
| ChemSpider | 4574157.0 |
CONTENTS
