| Keyword(s): | Drinking Water Chemicals ; Indoor Environment Substances ; Plastic additives ; Food Contact Chemicals |
| Molecule Category | Free-form |
| UNII | K67NG89J77 |
| EPA CompTox | DTXSID8029600 |
Structure
| InChI Key | FQPSGWSUVKBHSU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7N1O1 |
| Molecular Weight | 85.05 |
| AlogP | 1.1 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.08 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 79-39-0 |
| NORMAN SUSDAT | |
| FDA SRS | K67NG89J77 |
| PubChem | 6595 |
| ChemSpider | 6346.0 |
CONTENTS
