N-[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-beta-alanine
Chemical Structure Depiction of
N-[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-beta-alanine
N-[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-beta-alanine
Compound characteristics
| Compound ID: | 7009-0645 |
| Compound Name: | N-[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-beta-alanine |
| Molecular Weight: | 261.23 |
| Molecular Formula: | C13 H11 N O5 |
| Smiles: | C(CN/C=C1/C(c2ccccc2OC1=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4059 |
| logD: | -3.1016 |
| logSw: | -2.1286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.664 |
| InChI Key: | KOVIMRXCMYBPIZ-UHFFFAOYSA-N |