| Keyword(s): | Drinking Water Chemicals |
| Molecule Category | Free-form |
| UNII | H9VKD9VL18 |
| EPA CompTox | DTXSID8059180 |
Structure
| InChI Key | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08 |
| AlogP | 1.65 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 98-89-5 |
| NORMAN SUSDAT | |
| FDA SRS | H9VKD9VL18 |
| PubChem | 7413 |
| ChemSpider | 7135.0 |
CONTENTS
