HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(2,5-Dimethylphenyl)pyridin-2(1H)-one
Identifiers & Physical Properties
| CAS No. | 1261940-54-8 |
|---|---|
| Molecular formula | C13H13NO |
| Average molar mass | 199.25 g/mol |
| Monoisotopic mass | 199.09971404 g/mol |
| SMILES | Cc1ccc(C)c(-c2ccc[nH]c2=O)c1 |
| InChIKey | BSCYNAMRQXFUQM-UHFFFAOYSA-N |
| PubChem CID | 53217543 |
| DTXSID | DTXSID30682575 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 316 |