Base information
| Cat. No. | |
| CAS No. | 2161-87-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12O6 |
| Molecular Weight | 252.22 |
| Exact Mass | 252.063 |
| XLogP3 | 1.4112 |
| Mr | 63.0945 |
| PSA | 111.9 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1c(O)c(C(=O)C)c(c(c1O)C(=O)C)O |
