| Keyword(s): | Plastic additives ; Food Contact Chemicals |
| Molecule Category | Free-form |
| UNII | 11JIB0YI93 |
| EPA CompTox | DTXSID80210701 |
Structure
| InChI Key | ZWWQRMFIZFPUAA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.06 |
| AlogP | 0.28 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 617-52-7 |
| NORMAN SUSDAT | |
| FDA SRS | 11JIB0YI93 |
| PubChem | 69240 |
| ChemSpider | 4066.0 |
CONTENTS
