Base information
| Cat. No. | |
| CAS No. | 126230-90-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO |
| Molecular Weight | 121.137 |
| Exact Mass | 121.053 |
| XLogP3 | 1.1118 |
| Mr | 33.14 |
| PSA | 22.12 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | c1ncc2c(c1)COC2 |
