| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CJ7M2QK6X3 |
| EPA CompTox | DTXSID601030927 |
Structure
| InChI Key | UJJLJRQIPMGXEZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.05 |
| AlogP | 0.25 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16874-33-2 |
| NORMAN SUSDAT | |
| FDA SRS | CJ7M2QK6X3 |
| PubChem | 86079 |
| ChemSpider | 77659.0 |
CONTENTS
