2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-6930 |
| Compound Name: | 2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 276.25 |
| Molecular Formula: | C13 H12 N2 O5 |
| Smiles: | Cc1cc(no1)N1CC23C=CC(C(C2C1=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8388 |
| logD: | -1.3826 |
| logSw: | -0.9307 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.201 |
| InChI Key: | RCRBLLBFYVWIES-UHFFFAOYSA-N |