(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic acid
Chemical Structure Depiction of
(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic acid
(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic acid
Compound characteristics
| Compound ID: | 8012-1023 |
| Compound Name: | (2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic acid |
| Molecular Weight: | 236.27 |
| Molecular Formula: | C13 H16 O4 |
| Smiles: | Cc1c(CC(O)=O)c2C(CC(C)(C)Cc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6714 |
| logD: | -1.869 |
| logSw: | -1.1814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.018 |
| InChI Key: | QXTOASVQCPLPEK-UHFFFAOYSA-N |