4-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-4-oxobut-2-enoic acid
4-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 8020-0525 |
| Compound Name: | 4-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 263.25 |
| Molecular Formula: | C13 H13 N O5 |
| Smiles: | C(C1COc2ccccc2O1)NC(/C=C/C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4203 |
| logD: | -2.6249 |
| logSw: | -1.7345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.773 |
| InChI Key: | AYQPUBDBFWSNPV-VIFPVBQESA-N |