2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Chemical Structure Depiction of
2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Compound characteristics
| Compound ID: | Y020-8464 |
| Compound Name: | 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| Molecular Weight: | 222.24 |
| Molecular Formula: | C12 H14 O4 |
| Smiles: | Cc1c(C(O)=O)c2C(CC(C)(C)Cc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6776 |
| logD: | -1.1311 |
| logSw: | -1.1958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.042 |
| InChI Key: | RVUBGUZEGNBNED-UHFFFAOYSA-N |