5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | 8019-7177 |
| Compound Name: | 5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 279.25 |
| Molecular Formula: | C13 H13 N O6 |
| Smiles: | CC1C(c2cc(c3c(c2)OCO3)OC)ON=C1C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6578 |
| logD: | -2.9882 |
| logSw: | -1.7399 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.483 |
| InChI Key: | HTHBGKZMFZEWRG-UHFFFAOYSA-N |