6,7-Dimethoxy-3H-2-Benzofuran-1-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1333869 | |
| PubChem: | 68437 | |
| IUPAC: | 6,7-dimethoxy-3H-2-benzofuran-1-one | |
| Standard InChI: | InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3 | |
| Standard InChI Key: | ORFFGRQMMWVHIB-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)ccc2c1C(=O)OC2 | |
Molecular propeties
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| AlogP: | 1.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 194.06 | |
| Topological polar surface area: | 44.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |