Base information
| Cat. No. | |
| CAS No. | 105-29-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8O |
| Molecular Weight | 96.1271 |
| Exact Mass | 96.0575 |
| XLogP3 | 0.5582 |
| Mr | 29.8058 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 14 |
| Ring number | 0 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=CCO)C#C |
