4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(methoxycarbonyl)but-3-enoic acid
Chemical Structure Depiction of
4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(methoxycarbonyl)but-3-enoic acid
4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(methoxycarbonyl)but-3-enoic acid
Compound characteristics
| Compound ID: | 8020-4798 |
| Compound Name: | 4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(methoxycarbonyl)but-3-enoic acid |
| Molecular Weight: | 294.26 |
| Molecular Formula: | C14 H14 O7 |
| Smiles: | COC(C(\CC(O)=O)=C\c1cc(c2c(c1)OCO2)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6329 |
| logD: | -1.4789 |
| logSw: | -1.751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.226 |
| InChI Key: | ONAGINQUNUXPIP-UHFFFAOYSA-N |