Base information
| Cat. No. | |
| CAS No. | 2181-84-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.231 |
| Exact Mass | 229.074 |
| XLogP3 | 2.2933 |
| Mr | 65.734 |
| PSA | 44.37 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 30 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)c(=O)c1c(n2C)occ1 |
