| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00951765 |
Structure
| InChI Key | YFRDJVJDAXMXSQ-MRVPVSSYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.04 |
| AlogP | 0.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 63.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29169-63-9 |
| NORMAN SUSDAT | |
| PubChem | 12834137 |
CONTENTS
