Base information
| Cat. No. | |
| CAS No. | 100286-97-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H15N3O4 |
| Molecular Weight | 301.297 |
| Exact Mass | 301.106 |
| XLogP3 | 1.06878 |
| Mr | 79.4433 |
| PSA | 127.07 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C(O)C.N#Cc1cc(c2ccncc2)c([nH]c1=O)C |