3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxylic acid
Chemical Structure Depiction of
3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxylic acid
3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxylic acid
Compound characteristics
| Compound ID: | FF01-3364 |
| Compound Name: | 3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxylic acid |
| Molecular Weight: | 224.25 |
| Molecular Formula: | C12 H16 O4 |
| Smiles: | CC1=C(C(O)=O)C2(CCCCCC2)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 1.8461 |
| logD: | -2.2092 |
| logSw: | -1.5042 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.803 |
| InChI Key: | MKHNKIARVHYXPY-UHFFFAOYSA-N |