Base information
| Cat. No. | |
| CAS No. | 100616-09-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.278 |
| Exact Mass | 248.116 |
| XLogP3 | 1.72078 |
| Mr | 67.1342 |
| PSA | 82.95 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 34 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cc([nH]c(=O)c1C#N)C(C)(C)C |
