8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl 2-methylbut-2-enoate
Chemical Structure Depiction of
8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl 2-methylbut-2-enoate
8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl 2-methylbut-2-enoate
Compound characteristics
| Compound ID: | 0080-0003 |
| Compound Name: | 8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl 2-methylbut-2-enoate |
| Molecular Weight: | 328.36 |
| Molecular Formula: | C19 H20 O5 |
| Smiles: | C\C=C(/C)C(=O)O[C@@H]1Cc2c(ccc3C=CC(=O)Oc23)OC1(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6637 |
| logD: | 3.6637 |
| logSw: | -3.9631 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.385 |
| InChI Key: | RRHCDWLSHIIIIT-OAHLLOKOSA-N |