| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9U2C06A3MM |
| EPA CompTox | DTXSID40165001 |
Structure
| InChI Key | GXAVBFNRWXCOPY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.06 |
| AlogP | 1.12 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 58.92 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15233-65-5 |
| NORMAN SUSDAT | |
| FDA SRS | 9U2C06A3MM |
| PubChem | 96038 |
| ChemSpider | 86702.0 |
CONTENTS
