| Keyword(s): | Food Contact Chemicals |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80952316 |
Structure
| InChI Key | RSROEZYGRKHVMN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18O4 |
| Molecular Weight | 178.12 |
| AlogP | -0.62 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 73.22 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29860-47-7 |
| NORMAN SUSDAT | |
| PubChem | 169100 |
CONTENTS
