Base information
| Cat. No. | |
| CAS No. | 4616-63-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H7NO3 |
| Molecular Weight | 201.178 |
| Exact Mass | 201.043 |
| XLogP3 | 0.7853 |
| Mr | 55.582 |
| PSA | 46.61 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | C#CCON1C(=O)c2c(C1=O)cccc2 |
