| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5ASM4Y5MBX |
| EPA CompTox | DTXSID70232073 |
Structure
| InChI Key | VQTDPCRSXHFMOL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.08 |
| AlogP | 1.91 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 829-20-9 |
| NORMAN SUSDAT | |
| FDA SRS | 5ASM4Y5MBX |
| PubChem | 70016 |
| ChemSpider | 63208.0 |
CONTENTS
