| Keyword(s): | Drinking Water Chemicals |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40374974 |
Structure
| InChI Key | HNNFDXWDCFCVDM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.08 |
| AlogP | 0.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 42558-54-3 |
| NORMAN SUSDAT | |
| PubChem | 2759969 |
| ChemSpider | 2040717.0 |
CONTENTS
