HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl hydrogen P-phenylphosphonate
Phenylphosphonic acid methyl ester · Phenylphosphonic acid hydrogen methyl ester · Phosphonic acid, P-phenyl-, monomethyl ester
Identifiers & Physical Properties
| CAS No. | 10088-45-6 |
|---|---|
| Molecular formula | C7H9O3P |
| Average molar mass | 172.12 g/mol |
| Monoisotopic mass | 172.02893114 g/mol |
| SMILES | COP(=O)(O)c1ccccc1 |
| InChIKey | ZWBALHRZGYPNNG-UHFFFAOYSA-N |
| PubChem CID | 24913 |
| ChEBI | CHEBI:172071 |
| DTXSID | DTXSID60905820 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 163 |
| Melting point | 91 °C |
| Boiling point | 94.5 °C(Press: 13 Torr) |
| Density | 1.0972 g/cm3(Temp: 0 °C) |
| pKa (acidity coefficient) | 2.18±0.58(Predicted) |