Base information
| Cat. No. | |
| CAS No. | 104-94-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO |
| Molecular Weight | 123.152 |
| Exact Mass | 123.068 |
| XLogP3 | 1.8586 |
| Mr | 37.3384 |
| PSA | 35.25 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)N |
