Base information
| Cat. No. | |
| CAS No. | 451-77-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.216 |
| Exact Mass | 179.095 |
| XLogP3 | 1.5681 |
| Mr | 49.8867 |
| PSA | 30.49 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CNCCc1ccc2c(c1)OCO2 |
