HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 4-amidinophenylpyruvate
ethyl 4-amidinophenylpyruvate · Benzenepropanoic acid, 4-(aminoiminomethyl)-α-oxo-, ethyl ester
Identifiers & Physical Properties
| CAS No. | 53032-95-4 |
|---|---|
| Molecular formula | C12H14N2O3 |
| Average molar mass | 234.25 g/mol |
| Monoisotopic mass | 234.10044231 g/mol |
| SMILES | CCOC(=O)C(=O)Cc1ccc(C(=N)N)cc1 |
| InChIKey | FKDMTKNGKZHNAL-UHFFFAOYSA-N |
| PubChem CID | 171237 |
| DTXSID | DTXSID20201077 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 93.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 307 |