Base information
| Cat. No. | |
| CAS No. | 94193-36-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H11NO6 |
| Molecular Weight | 253.208 |
| Exact Mass | 253.059 |
| XLogP3 | 2.1741 |
| Mr | 63.3363 |
| PSA | 109.42 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cc(OCCCC(=O)O)ccc1[N+](=O)[O-] |
