Base information
| Cat. No. | |
| CAS No. | 120-72-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.148 |
| Exact Mass | 117.058 |
| XLogP3 | 2.1679 |
| Mr | 38.2987 |
| PSA | 15.79 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | c1ccc2c(c1)[nH]cc2 |
