Base information
| Cat. No. | |
| CAS No. | 81124-48-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.173 |
| Exact Mass | 163.063 |
| XLogP3 | 1.2678 |
| Mr | 45.227 |
| PSA | 39.19 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)/C=C/c1cccnc1 |
