Base information
| Cat. No. | |
| CAS No. | 125031-47-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.231 |
| Exact Mass | 229.074 |
| XLogP3 | 1.8285 |
| Mr | 63.7782 |
| PSA | 59.16 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc([nH]c1=O)c1ccccc1 |
