4-{[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino}butanoic acid
Chemical Structure Depiction of
4-{[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino}butanoic acid
4-{[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino}butanoic acid
Compound characteristics
| Compound ID: | 7009-0646 |
| Compound Name: | 4-{[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino}butanoic acid |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C14 H13 N O5 |
| Smiles: | C(CC(O)=O)CN/C=C1/C(c2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0559 |
| logD: | -2.765 |
| logSw: | -2.0814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.664 |
| InChI Key: | IFUWFPFQZOXRSB-UHFFFAOYSA-N |