Base information
| Cat. No. | |
| CAS No. | 15458-78-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.231 |
| Exact Mass | 245.069 |
| XLogP3 | 0.9497 |
| Mr | 66.76 |
| PSA | 63.68 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | C=CC(=O)OCCN1C(=O)c2c(C1=O)cccc2 |
