Base information
| Cat. No. | |
| CAS No. | 695-05-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8O |
| Molecular Weight | 108.138 |
| Exact Mass | 108.058 |
| XLogP3 | 0.8413 |
| Mr | 29.621 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 18 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1[C@@H]2C[C@@H]3[C@H]1[C@@H]3C2 |
