Base information
| Cat. No. | |
| CAS No. | 135576-99-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.127 |
| Exact Mass | 112.052 |
| XLogP3 | 0.0777 |
| Mr | 28.013 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=CC1C2C1COC2 |
