Base information
| Cat. No. | |
| CAS No. | 7126-39-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5NO |
| Molecular Weight | 95.0993 |
| Exact Mass | 95.0371 |
| XLogP3 | 0.8272 |
| Mr | 26.1802 |
| PSA | 32.86 |
| Sequence | - |
| Atom number | 12 |
| Bond number | 12 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1c[nH]cc1 |
