| Keyword(s): | Food Contact Chemicals |
| Molecule Category | Free-form |
| UNII | 3QPI1U3FV8 |
| EPA CompTox | DTXSID3020209 |
Structure
| InChI Key | QFOHBWFCKVYLES-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.09 |
| AlogP | 2.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-26-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3QPI1U3FV8 |
| PubChem | 7184 |
| ChemSpider | 6916.0 |
CONTENTS
