Base information
| Cat. No. | |
| CAS No. | 77976-79-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11NO3 |
| Molecular Weight | 241.242 |
| Exact Mass | 241.074 |
| XLogP3 | 2.2164 |
| Mr | 67.901 |
| PSA | 46.61 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CN(c1ccc2c3c1cccc3C(=O)OC2=O)C |
