Base information
| Cat. No. | |
| CAS No. | 121625-80-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.237 |
| Exact Mass | 222.089 |
| XLogP3 | 2.4413 |
| Mr | 57.8408 |
| PSA | 67.51 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1CC(C)(C)Cc2c1c(C)c(o2)C(=O)O |
