Scoparone
Representations & DB's id
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| ChEBI: | CHEBI:9055 | |
|---|---|---|
| ChEMBL: | CHEMBL325864 | |
| PubChem: | 8417 | |
| IUPAC: | 6,7-dimethoxychromen-2-one | |
| Standard InChI: | InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 | |
| Standard InChI Key: | GUAFOGOEJLSQBT-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc(=O)ccc2cc1OC | |
Molecular propeties
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| AlogP: | 1.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 206.06 | |
| Topological polar surface area: | 44.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.182 | |
| Number of carbons: | 11 | |