5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid
Chemical Structure Depiction of
5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid
5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid
Compound characteristics
| Compound ID: | 8012-3146 |
| Compound Name: | 5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid |
| Molecular Weight: | 212.24 |
| Molecular Formula: | C11 H16 O4 |
| Smiles: | Cc1c(C(O)=O)c(CO)c(C(C)(C)C)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.8761 |
| logD: | -1.1605 |
| logSw: | -1.4466 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.32 |
| InChI Key: | FDSKGVGFTCCVAG-UHFFFAOYSA-N |