Base information
| Cat. No. | |
| CAS No. | 526-86-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.148 |
| Exact Mass | 136.052 |
| XLogP3 | 1.0308 |
| Mr | 37.908 |
| PSA | 34.14 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CC1=C(C)C(=O)C=CC1=O |
