Base information
| Cat. No. | |
| CAS No. | 117612-65-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.147 |
| Exact Mass | 133.053 |
| XLogP3 | 2.1362 |
| Mr | 38.975 |
| PSA | 26.03 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1cncc2c1occ2 |
