Base information
| Cat. No. | |
| CAS No. | 287958-89-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO |
| Molecular Weight | 109.126 |
| Exact Mass | 109.053 |
| XLogP3 | 0.87918 |
| Mr | 28.531 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CC1(CCC1=O)C#N |
