Base information
| Cat. No. | |
| CAS No. | 759-72-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5NO2 |
| Molecular Weight | 111.099 |
| Exact Mass | 111.032 |
| XLogP3 | 0.54088 |
| Mr | 27.1958 |
| PSA | 61.09 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 12 |
| Ring number | 0 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC=C(C(=O)O)C#N |
