Base information
| Cat. No. | |
| CAS No. | 14271-86-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H7NO |
| Molecular Weight | 181.19 |
| Exact Mass | 181.053 |
| XLogP3 | 2.54608 |
| Mr | 53.8915 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CC(=O)c1cccc2c1cccc2 |
