HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methionine methyl ester
Einecs 256-133-1 · methyl DL-methionate
Identifiers & Physical Properties
| CAS No. | 21691-49-6 |
|---|---|
| Molecular formula | C6H13NO2S |
| Average molar mass | 163.24 g/mol |
| Monoisotopic mass | 163.06669983 g/mol |
| SMILES | COC(=O)C(N)CCSC |
| InChIKey | UIHPNZDZCOEZEN-UHFFFAOYSA-N |
| PubChem CID | 351663 |
| EC No. | 256-133-1 |
| DTXSID | DTXSID501366410 |
Chemical & Physical Properties
| XLogP | 0.2 |
|---|---|
| Topological polar surface area | 77.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 108 |
| Boiling point | 240.035±30.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.095±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 6.958±0.35(predicted) |