Base information
| Cat. No. | |
| CAS No. | 2596-47-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12O5 |
| Molecular Weight | 236.221 |
| Exact Mass | 236.068 |
| XLogP3 | 1.7183 |
| Mr | 61.1028 |
| PSA | 72.83 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C=CC(=O)O)ccc1OC(=O)C |
