Base information
| Cat. No. | |
| CAS No. | 694-71-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8O |
| Molecular Weight | 108.138 |
| Exact Mass | 108.058 |
| XLogP3 | 1.1515 |
| Mr | 31.261 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1C2CCC1C=C2 |
