6-bromo-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl acetate
Chemical Structure Depiction of
6-bromo-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl acetate
6-bromo-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl acetate
Compound characteristics
| Compound ID: | Y042-9171 |
| Compound Name: | 6-bromo-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl acetate |
| Molecular Weight: | 441.23 |
| Molecular Formula: | C21 H13 Br O6 |
| Smiles: | CC(=O)Oc1ccc2C(=CC(=O)Oc2c1C)C1=Cc2cc(ccc2OC1=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7243 |
| logD: | 3.7243 |
| logSw: | -4.1218 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.818 |
| InChI Key: | XSMYATBZDBFDCE-UHFFFAOYSA-N |