Base information
| Cat. No. | |
| CAS No. | 2200-91-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6O |
| Molecular Weight | 118.133 |
| Exact Mass | 118.042 |
| XLogP3 | 1.3735 |
| Mr | 36.4 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C#Cc1ccc(cc1)O |
