Identifiers & Physical Properties
| CAS No. | 120-58-1 |
|---|
| Molecular formula | C10H10O2 |
|---|
| Average molar mass | 162.18 g/mol |
|---|
| Monoisotopic mass | 162.06807956 g/mol |
|---|
| SMILES | CC=Cc1ccc2c(c1)OCO2 |
|---|
| InChIKey | VHVOLFRBFDOUSH-UHFFFAOYSA-N |
|---|
| PubChem CID | 8439 |
|---|
| ChEMBL | CHEMBL3184536 |
|---|
| DTXSID | DTXSID2020767 |
|---|
Chemical & Physical Properties
| XLogP | 3.1 |
|---|
| Topological polar surface area | 18.5 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 2 |
|---|
| Rotatable bonds | 1 |
|---|
| Heavy atoms | 12 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 177 |
|---|
| Drugs | Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
|---|
| SpringerMaterials Properties | Boiling point |
|---|
