HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,5-Diacetoxymethylpyrazole
Identifiers & Physical Properties
| Molecular formula | C9H12N2O4 |
|---|---|
| Average molar mass | 212.2 g/mol |
| SMILES | CC(=O)OCc1cc(COC(C)=O)[nH]n1 |
| InChIKey | XEUNWKIYWUFIJC-UHFFFAOYSA-N |
| PubChem CID | 12377534 |
Chemical & Physical Properties
| XLogP | -0.3 |
|---|---|
| Topological polar surface area | 81.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 244 |