| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AHB5Q42J6S |
| EPA CompTox | DTXSID60149646 |
Structure
| InChI Key | TVDDXVUEWIHEHC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.06 |
| AlogP | 0.08 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 68.28 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1114-91-6 |
| NORMAN SUSDAT | |
| FDA SRS | AHB5Q42J6S |
| PubChem | 70688 |
CONTENTS
