3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoic acid
Chemical Structure Depiction of
3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoic acid
3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoic acid
Compound characteristics
| Compound ID: | D143-0295 |
| Compound Name: | 3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoic acid |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C18 H18 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1cc1c(C)c(C)oc1c2C |
| Stereo: | ACHIRAL |
| logP: | 3.3688 |
| logD: | 0.8725 |
| logSw: | -3.5337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.409 |
| InChI Key: | MHQHNEYOTQWCIJ-UHFFFAOYSA-N |