Base information
| Cat. No. | |
| CAS No. | 2286-29-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.247 |
| Exact Mass | 231.09 |
| XLogP3 | 2.16528 |
| Mr | 63.287 |
| PSA | 59.32 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(=Cc1ccc(cc1)OC)C#N |
