| Keyword(s): | Food Contact Chemicals ; Plastic additives |
| Molecule Category | Free-form |
| UNII | V9B8S034AW |
| EPA CompTox | DTXSID1029629 |
Structure
| InChI Key | VHSHLMUCYSAUQU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.08 |
| AlogP | 0.49 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 923-26-2 |
| NORMAN SUSDAT | |
| FDA SRS | V9B8S034AW |
| PubChem | 13539 |
| ChemSpider | 12951.0 |
CONTENTS
