| Keyword(s): | Food Contact Chemicals ; Drinking Water Chemicals |
| Molecule Category | Free-form |
| UNII | 4Q81I59GXC |
| EPA CompTox | DTXSID5024506 |
Structure
| InChI Key | KBOPZPXVLCULAV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O3 |
| Molecular Weight | 153.04 |
| AlogP | 0.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 83.55 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 89-57-6 |
| NORMAN SUSDAT | |
| FDA SRS | 4Q81I59GXC |
| PubChem | 4075 |
| ChemSpider | 3933.0 |
CONTENTS
