4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Compound characteristics
| Compound ID: | 8015-8066 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C18 H18 O5 |
| Smiles: | CC1(C)CC2=C(C(CC(=O)O2)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6963 |
| logD: | 2.6963 |
| logSw: | -2.9179 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.798 |
| InChI Key: | FQJOJPJVIILVRF-LLVKDONJSA-N |