| Keyword(s): | Drinking Water Chemicals |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20887219 |
| InChI Key | IEPWIPZLLIOZLU-ONEGZZNKSA-N | |
|---|---|---|
| Smiles | ||
| InChI |
|
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C13H16O3 | |
| Molecular Weight | 220.11 | |
| AlogP | 2.91 | |
| Hydrogen Bond Acceptor | 3.0 | |
| Hydrogen Bond Donor | 1.0 | |
| Number of Rotational Bond | 5.0 | |
| Polar Surface Area | 46.53 | |
| Heavy Atoms | 16.0 |
| Resources | Reference | |
|---|---|---|
| CAS NUMBER | 68141-22-0 | |
| NORMAN SUSDAT | ||
| PubChem | 6021887 | |
| ChemSpider | 4782327.0 |