| Keyword(s): | Food Contact Chemicals |
| Molecule Category | Free-form |
| UNII | 28A37T47QO |
| EPA CompTox | DTXSID6021957 |
Structure
| InChI Key | ZQBAKBUEJOMQEX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10O3 |
| Molecular Weight | 214.06 |
| AlogP | 2.61 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 118-55-8 |
| NORMAN SUSDAT | |
| FDA SRS | 28A37T47QO |
| PubChem | 8361 |
| ChemSpider | 8058.0 |
CONTENTS
