methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate
Chemical Structure Depiction of
methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate
methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate
Compound characteristics
| Compound ID: | 8020-8414 |
| Compound Name: | methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C22 H18 O8 |
| Smiles: | COC(CC(C1=C(C(c2ccccc2C1=O)=O)O)c1cc(c2c(c1)OCO2)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4317 |
| logD: | 0.3987 |
| logSw: | -3.0702 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.26 |
| InChI Key: | HHQKQIILCZURCR-AWEZNQCLSA-N |