Base information
| Cat. No. | |
| CAS No. | 163593-69-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.179 |
| Exact Mass | 137.084 |
| XLogP3 | 1.707 |
| Mr | 40.661 |
| PSA | 22.12 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccnc(c1C)C |
