Base information
| Cat. No. | |
| CAS No. | 779-90-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.222 |
| Exact Mass | 204.079 |
| XLogP3 | 2.2944 |
| Mr | 57.0255 |
| PSA | 51.21 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1cc(cc(c1)C(=O)C)C(=O)C |
