N-[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]alanine
Chemical Structure Depiction of
N-[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]alanine
N-[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]alanine
Compound characteristics
| Compound ID: | 7009-0648 |
| Compound Name: | N-[(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]alanine |
| Molecular Weight: | 261.23 |
| Molecular Formula: | C13 H11 N O5 |
| Smiles: | CC(C(O)=O)N/C=C1/C(c2ccccc2OC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2013 |
| logD: | -2.5907 |
| logSw: | -2.0992 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.801 |
| InChI Key: | SHFCGMOIWFRGKS-ZETCQYMHSA-N |