| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 96DH71781X |
| EPA CompTox | DTXSID30201447 |
Structure
| InChI Key | YTBSYETUWUMLBZ-DMTCNVIQSA-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 | 533-49-3 |
| NORMAN SUSDAT | |
| FDA SRS | 96DH71781X |
| PubChem | 5460674 |
| ChemSpider | 4574159.0 |
CONTENTS
