Base information
| Cat. No. | |
| CAS No. | 218924-25-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.231 |
| Exact Mass | 245.069 |
| XLogP3 | 1.7612 |
| Mr | 67.31 |
| PSA | 55.84 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=CN1CCC(=Cc2ccc3c(c2)OCO3)C1=O |