Base information
| Cat. No. | |
| CAS No. | 4290-87-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H7NO2 |
| Molecular Weight | 185.179 |
| Exact Mass | 185.048 |
| XLogP3 | 0.9141 |
| Mr | 54.8335 |
| PSA | 37.38 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C#CCN1c2ccccc2C(=O)C1=O |
