Base information
| Cat. No. | |
| CAS No. | 130780-94-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H14N2O3 |
| Molecular Weight | 186.208 |
| Exact Mass | 186.1 |
| XLogP3 | 0.78648 |
| Mr | 45.9945 |
| PSA | 82.35 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 26 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OCC(NC(=O)OC(C)(C)C)C#N |
