| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K3SBN6E2A9 |
| EPA CompTox | DTXSID30209367 |
Structure
| InChI Key | AWPMWZHWVKXADV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.09 |
| AlogP | 1.51 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 60563-13-5 |
| NORMAN SUSDAT | |
| FDA SRS | K3SBN6E2A9 |
| PubChem | 108965 |
| ChemSpider | 97991.0 |
CONTENTS
