N-(3-nitro-2-oxo-2H-1-benzopyran-4-yl)-beta-alanine
Chemical Structure Depiction of
N-(3-nitro-2-oxo-2H-1-benzopyran-4-yl)-beta-alanine
N-(3-nitro-2-oxo-2H-1-benzopyran-4-yl)-beta-alanine
Compound characteristics
| Compound ID: | 5947-0071 |
| Compound Name: | N-(3-nitro-2-oxo-2H-1-benzopyran-4-yl)-beta-alanine |
| Molecular Weight: | 278.22 |
| Molecular Formula: | C12 H10 N2 O6 |
| Smiles: | C(CNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1146 |
| logD: | -2.5811 |
| logSw: | -2.1913 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.39 |
| InChI Key: | LMSRGFUQIZTZKK-UHFFFAOYSA-N |