| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N3UW2RYU89 |
| EPA CompTox | DTXSID1070725 |
Structure
| InChI Key | IBRABNUUJKNXOB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.07 |
| AlogP | 1.65 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 56.51 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67860-01-9 |
| NORMAN SUSDAT | |
| FDA SRS | N3UW2RYU89 |
| PubChem | 105844 |
| ChemSpider | 95389.0 |
CONTENTS
