HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(2,2-Dimethyl-4-oxochroman-6-YL)acetamide
N-(2,2-Dimethyl-4-oxochroman-6-yl)acetamide · Acetamide, N-(3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-
Identifiers & Physical Properties
| CAS No. | 186774-61-8 |
|---|---|
| Molecular formula | C13H15NO3 |
| Average molar mass | 233.26 g/mol |
| Monoisotopic mass | 233.10519334 g/mol |
| SMILES | CC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 |
| InChIKey | YXBYIHUUFANHGG-UHFFFAOYSA-N |
| PubChem CID | 15307695 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 55.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 338 |
| Boiling point | 440.0±45.0 °C(Predicted) |
| Density | 1.194±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.10±0.40(Predicted) |