HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diethyl 1-pyrenylmethylphosphonate
Identifiers & Physical Properties
| Molecular formula | C21H21O3P |
|---|---|
| Average molar mass | 352.4 g/mol |
| Monoisotopic mass | 352.12283153 g/mol |
| SMILES | CCOP(=O)(Cc1ccc2ccc3cccc4ccc1c2c34)OCC |
| InChIKey | QYHNVRVUJPTWEP-UHFFFAOYSA-N |
| PubChem CID | 1717536 |
Chemical & Physical Properties
| XLogP | 4.8 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 497 |