| Keyword(s): | Drinking Water Chemicals |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50886199 |
Structure
| InChI Key | VBBXRGQUWWYKGS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O5 |
| Molecular Weight | 190.08 |
| AlogP | -0.25 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.15 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56552-15-9 |
| NORMAN SUSDAT | |
| PubChem | 162155 |
| ChemSpider | 142405.0 |
CONTENTS
