HuagongsheHuagongshe Chemistry Print Report · For research reference only
beta-Alanine, N-nitroso-N-(4-oxopentyl)-
Identifiers & Physical Properties
| CAS No. | 40911-10-2 |
|---|---|
| Molecular formula | C8H14N2O4 |
| Average molar mass | 202.21 g/mol |
| Monoisotopic mass | 202.09535693 g/mol |
| SMILES | CC(=O)CCCN(CCC(=O)O)N=O |
| InChIKey | HRBJXMFLTMMXDX-UHFFFAOYSA-N |
| PubChem CID | 6451663 |
| DTXSID | DTXSID60193907 |
Chemical & Physical Properties
| XLogP | -0.3 |
|---|---|
| Topological polar surface area | 87 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 217 |