Base information
| Cat. No. | |
| CAS No. | 7358-93-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6O2 |
| Molecular Weight | 110.111 |
| Exact Mass | 110.037 |
| XLogP3 | 0.4844 |
| Mr | 28.7758 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C#CC1CC1 |
