Base information
| Cat. No. | |
| CAS No. | 70987-80-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.184 |
| Exact Mass | 175.063 |
| XLogP3 | 1.33588 |
| Mr | 46.234 |
| PSA | 45.55 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)OC[C@H]1OC1 |
