3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanoic acid
Chemical Structure Depiction of
3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanoic acid
3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanoic acid
Compound characteristics
| Compound ID: | Y042-0451 |
| Compound Name: | 3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanoic acid |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C18 H20 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc3c(CCC(C)(C)O3)cc12 |
| Stereo: | ACHIRAL |
| logP: | 3.3466 |
| logD: | 0.8504 |
| logSw: | -3.356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.877 |
| InChI Key: | MMDLQMJKZVOBMC-UHFFFAOYSA-N |