Base information
| Cat. No. | |
| CAS No. | 1057107-39-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.221 |
| Exact Mass | 220.074 |
| XLogP3 | 1.6613 |
| Mr | 56.7663 |
| PSA | 63.6 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C1CC1c1ccc(cc1)C(=O)O |
