Base information
| Cat. No. | |
| CAS No. | 120539-91-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.211 |
| Exact Mass | 189.079 |
| XLogP3 | 1.9369 |
| Mr | 53.2737 |
| PSA | 38.33 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | C#CCNC(=O)OCc1ccccc1 |
