Base information
| Cat. No. | |
| CAS No. | 20356-45-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.194 |
| Exact Mass | 184.064 |
| XLogP3 | 2.26428 |
| Mr | 53.0492 |
| PSA | 56.65 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)c1c[nH]c2c1cccc2 |
