5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Compound characteristics
Compound ID: | 8019-4589 |
Compound Name: | 5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
Molecular Weight: | 309.27 |
Molecular Formula: | C14 H15 N O7 |
Smiles: | COc1c(CC2CC(C(O)=O)=NO2)cc2c(c1OC)OCO2 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.6659 |
logD: | -2.1051 |
logSw: | -1.7764 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.716 |
InChI Key: | LVKLYCODANKYAS-MRVPVSSYSA-N |