| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0RDJ7C51O0 |
| EPA CompTox | DTXSID3057725 |
Structure
| InChI Key | TXWOGHSRPAYOML-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.05 |
| AlogP | 0.87 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3721-95-7 |
| NORMAN SUSDAT | |
| FDA SRS | 0RDJ7C51O0 |
| PubChem | 19494 |
| ChemSpider | 18370.0 |
CONTENTS
