tert-butyl [(8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl)oxy]acetate
Chemical Structure Depiction of
tert-butyl [(8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl)oxy]acetate
tert-butyl [(8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-4395 |
| Compound Name: | tert-butyl [(8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl)oxy]acetate |
| Molecular Weight: | 434.44 |
| Molecular Formula: | C25 H22 O7 |
| Smiles: | Cc1c(ccc2C(=CC(=O)Oc12)C1=Cc2ccccc2OC1=O)OCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.1644 |
| logD: | 4.1644 |
| logSw: | -4.5605 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.834 |
| InChI Key: | GKRMCMXDLQSTJE-UHFFFAOYSA-N |