Base information
| Cat. No. | |
| CAS No. | 1487-18-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6O |
| Molecular Weight | 94.1112 |
| Exact Mass | 94.0419 |
| XLogP3 | 1.9226 |
| Mr | 28.799 |
| PSA | 13.14 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C=Cc1ccco1 |
