3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
Chemical Structure Depiction of
3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
Compound characteristics
| Compound ID: | FF01-6449 |
| Compound Name: | 3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid |
| Molecular Weight: | 194.18 |
| Molecular Formula: | C10 H10 O4 |
| Smiles: | Cc1c2C(CCCc2oc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9641 |
| logD: | -3.4745 |
| logSw: | -0.8488 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.621 |
| InChI Key: | ZPTMWVDSVJOEEB-UHFFFAOYSA-N |