HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Triphenylmethyl-3,5-diacetoxymethylpyrazole
Identifiers & Physical Properties
| Molecular formula | C28H26N2O4 |
|---|---|
| Average molar mass | 454.5 g/mol |
| SMILES | CC(=O)OCc1cc(COC(C)=O)n(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1 |
| InChIKey | NYSCFRMCFNKEGU-UHFFFAOYSA-N |
| PubChem CID | 12377533 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 70.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 10 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 620 |