Base information
| Cat. No. | |
| CAS No. | 649557-55-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.231 |
| Exact Mass | 245.069 |
| XLogP3 | 1.26328 |
| Mr | 62.0645 |
| PSA | 84.23 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(=O)CC(=O)c1ccc(cc1)C#N |
