Base information
| Cat. No. | |
| CAS No. | 6221-04-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5NO2 |
| Molecular Weight | 135.12 |
| Exact Mass | 135.032 |
| XLogP3 | 0.7066 |
| Mr | 35.012 |
| PSA | 47.03 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cncc(c1)C=O |
