| Keyword(s): | Food Contact Chemicals ; Drinking Water Chemicals ; Plastic additives ; Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9SLZ98M9NK |
| EPA CompTox | DTXSID6021820 |
Structure
| InChI Key | FDPIMTJIUBPUKL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H10O1 |
| Molecular Weight | 86.07 |
| AlogP | 1.38 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 96-22-0 |
| NORMAN SUSDAT | |
| FDA SRS | 9SLZ98M9NK |
| PubChem | 7288 |
| ChemSpider | 7016.0 |
CONTENTS
