| Keyword(s): | Plastic additives ; Food Contact Chemicals ; Drinking Water Chemicals |
| Molecule Category | Free-form |
| UNII | 86SSM2N1X7 |
| EPA CompTox | DTXSID5041358 |
Structure
| InChI Key | BAHPQISAXRFLCL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2O1 |
| Molecular Weight | 138.08 |
| AlogP | 0.86 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 61.27 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 615-05-4 |
| NORMAN SUSDAT | |
| FDA SRS | 86SSM2N1X7 |
| PubChem | 11976 |
| ChemSpider | 11481.0 |
CONTENTS
