3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoic acid
Chemical Structure Depiction of
3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoic acid
3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoic acid
Compound characteristics
| Compound ID: | D143-0293 |
| Compound Name: | 3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoic acid |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C19 H18 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc3c(cc12)c1CCCCc1o3 |
| Stereo: | ACHIRAL |
| logP: | 3.4427 |
| logD: | 0.9464 |
| logSw: | -3.5949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.659 |
| InChI Key: | PLOVHSNHAJMCGX-UHFFFAOYSA-N |