Base information
| Cat. No. | |
| CAS No. | 179694-33-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO |
| Molecular Weight | 145.158 |
| Exact Mass | 145.053 |
| XLogP3 | 1.62958 |
| Mr | 39.901 |
| PSA | 36.32 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)[C@@H]1OC1 |
