Base information
| Cat. No. | |
| CAS No. | 872-85-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5NO |
| Molecular Weight | 107.11 |
| Exact Mass | 107.037 |
| XLogP3 | 0.8941 |
| Mr | 29.6245 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccncc1 |
