Base information
| Cat. No. | |
| CAS No. | 490-89-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO3 |
| Molecular Weight | 165.146 |
| Exact Mass | 165.043 |
| XLogP3 | -0.7586 |
| Mr | 43.6725 |
| PSA | 66.4 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | OC1CNC2=CC(=O)C(=O)C=C12 |
