5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | 8019-7859 |
| Compound Name: | 5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 279.25 |
| Molecular Formula: | C13 H13 N O6 |
| Smiles: | COc1cc(CC2CC(C(O)=O)=NO2)cc2c1OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4762 |
| logD: | -2.2948 |
| logSw: | -1.7769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.913 |
| InChI Key: | GNGUVVPYFWBCQX-MRVPVSSYSA-N |