7-(3,3-dimethyl-2-oxobutoxy)-7'-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-7'-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
7-(3,3-dimethyl-2-oxobutoxy)-7'-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Compound characteristics
| Compound ID: | Y040-4595 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-7'-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione |
| Molecular Weight: | 434.44 |
| Molecular Formula: | C25 H22 O7 |
| Smiles: | CC(C)(C)C(COc1ccc2C=C(C3=CC(=O)Oc4cc(ccc34)OC)C(=O)Oc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9156 |
| logD: | 3.9156 |
| logSw: | -4.3151 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.586 |
| InChI Key: | ACBWVAZROVHGOT-UHFFFAOYSA-N |