Base information
| Cat. No. | |
| CAS No. | 1515-86-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.174 |
| Exact Mass | 147.068 |
| XLogP3 | 1.70468 |
| Mr | 42.015 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COCc1cccc(c1)C#N |
