Base information
| Cat. No. | |
| CAS No. | 4468-59-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.173 |
| Exact Mass | 163.063 |
| XLogP3 | 1.46688 |
| Mr | 44.479 |
| PSA | 53.25 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCc1ccc(c(c1)OC)O |
