4-(2H-1,3-benzodioxol-5-yl)-3-(methoxycarbonyl)but-3-enoic acid
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-3-(methoxycarbonyl)but-3-enoic acid
4-(2H-1,3-benzodioxol-5-yl)-3-(methoxycarbonyl)but-3-enoic acid
Compound characteristics
| Compound ID: | 8020-4264 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-3-(methoxycarbonyl)but-3-enoic acid |
| Molecular Weight: | 264.23 |
| Molecular Formula: | C13 H12 O6 |
| Smiles: | COC(C(\CC(O)=O)=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6321 |
| logD: | -1.4797 |
| logSw: | -1.8784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.912 |
| InChI Key: | KIBLCRDWYKUFIB-UHFFFAOYSA-N |