Base information
| Cat. No. | |
| CAS No. | 6921-27-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6O |
| Molecular Weight | 94.1112 |
| Exact Mass | 94.0419 |
| XLogP3 | 0.2694 |
| Mr | 28.365 |
| PSA | 9.23 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 12 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | C#CCOCC#C |
