Base information
| Cat. No. | |
| CAS No. | 111753-73-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H19NO4 |
| Molecular Weight | 337.369 |
| Exact Mass | 337.131 |
| XLogP3 | 3.89408 |
| Mr | 94.7528 |
| PSA | 79.55 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 45 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC |
