3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoic acid
Chemical Structure Depiction of
3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoic acid
3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoic acid
Compound characteristics
| Compound ID: | D143-0296 |
| Compound Name: | 3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoic acid |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C20 H22 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1cc1c(coc1c2C)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.0547 |
| logD: | 1.5584 |
| logSw: | -4.1183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.021 |
| InChI Key: | PCSLCDUQXLWXQG-UHFFFAOYSA-N |