| Keyword(s): | Drinking Water Chemicals |
| Molecule Category | Free-form |
| UNII | P01OUT964K |
| EPA CompTox | DTXSID00880647 |
Structure
| InChI Key | QMVPMAAFGQKVCJ-SNVBAGLBSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O1 |
| Molecular Weight | 156.15 |
| AlogP | 2.75 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1117-61-9 |
| NORMAN SUSDAT | |
| FDA SRS | P01OUT964K |
| PubChem | 101977 |
| ChemSpider | 92127.0 |
CONTENTS
