Base information
| Cat. No. | |
| CAS No. | 142502-88-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5NO |
| Molecular Weight | 119.121 |
| Exact Mass | 119.037 |
| XLogP3 | 0.3562 |
| Mr | 34.9977 |
| PSA | 32.86 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=c1c(ccc[nH]1)C#C |
