7'-(3,3-dimethyl-2-oxobutoxy)-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Chemical Structure Depiction of
7'-(3,3-dimethyl-2-oxobutoxy)-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
7'-(3,3-dimethyl-2-oxobutoxy)-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Compound characteristics
| Compound ID: | Y040-4599 |
| Compound Name: | 7'-(3,3-dimethyl-2-oxobutoxy)-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C24 H20 O6 |
| Smiles: | CC(C)(C)C(COc1ccc2C(=CC(=O)Oc2c1)C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8117 |
| logD: | 3.8117 |
| logSw: | -4.1636 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.042 |
| InChI Key: | FIQNTWVCEOYJMR-UHFFFAOYSA-N |