Base information
| Cat. No. | |
| CAS No. | 7008-17-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO6 |
| Molecular Weight | 227.171 |
| Exact Mass | 227.043 |
| XLogP3 | -1.2066 |
| Mr | 49.4454 |
| PSA | 116.95 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C(C(C(C(=O)O)O)O)Oc1cccnc1 |
