| Keyword(s): | Drinking Water Chemicals ; Food Contact Chemicals ; Indoor Environment Substances ; Plastic additives |
| Molecule Category | Free-form |
| UNII | IZ67FTN290 |
| EPA CompTox | DTXSID9022522 |
Structure
| InChI Key | MGWAVDBGNNKXQV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.15 |
| AlogP | 3.31 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84-69-5 |
| NORMAN SUSDAT | |
| FDA SRS | IZ67FTN290 |
| PubChem | 6782 |
| ChemSpider | 6524.0 |
CONTENTS
