Base information
| Cat. No. | |
| CAS No. | 1513469-96-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.147 |
| Exact Mass | 149.048 |
| XLogP3 | 1.16388 |
| Mr | 40.01 |
| PSA | 64.25 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Oc1c(CC#N)cccc1O |
