Base information
| Cat. No. | |
| CAS No. | 163556-04-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9NO4 |
| Molecular Weight | 231.204 |
| Exact Mass | 231.053 |
| XLogP3 | 1.3509 |
| Mr | 59.4515 |
| PSA | 64.85 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(n2c1cccc2C=O)C=O |
