Base information
| Cat. No. | |
| CAS No. | 74409-42-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.179 |
| Exact Mass | 137.084 |
| XLogP3 | 2.0403 |
| Mr | 42.502 |
| PSA | 25.46 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(C)c([n+](c1)[O-])C |
