Base information
| Cat. No. | |
| CAS No. | 690-94-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H10O |
| Molecular Weight | 110.154 |
| Exact Mass | 110.073 |
| XLogP3 | 0.9467 |
| Mr | 34.6508 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 17 |
| Ring number | 0 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C=CC#CC(O)(C)C |
