4-hydroxy-3-[3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one
Chemical Structure Depiction of
4-hydroxy-3-[3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one
4-hydroxy-3-[3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one
Compound characteristics
| Compound ID: | 8020-1343 |
| Compound Name: | 4-hydroxy-3-[3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one |
| Molecular Weight: | 330.29 |
| Molecular Formula: | C17 H14 O7 |
| Smiles: | CC1=CC(=C(C(/C=C/c2cc(c3c(c2)OCO3)OC)=O)C(=O)O1)O |
| Stereo: | ACHIRAL |
| logP: | 1.9891 |
| logD: | -3.3674 |
| logSw: | -2.1329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.548 |
| InChI Key: | IFBAFPHXTFPLQH-UHFFFAOYSA-N |