5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | 3028-4997 |
| Compound Name: | 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 357.16 |
| Molecular Formula: | C14 H13 Br O6 |
| Smiles: | CC1(C)OC(C(=Cc2cc(c(c(c2)[Br])O)OC)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3336 |
| logD: | 2.2559 |
| logSw: | -2.0792 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.554 |
| InChI Key: | RANQPDSOGPNHHG-UHFFFAOYSA-N |