9-Hydroxy-7-(4-Hydroxyphenyl)-[1,3]Dioxolo[4,5-G]Chromen-8-One
Representations & DB's id
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| ChEBI: | CHEBI:5970 | |
|---|---|---|
| ChEMBL: | CHEMBL3527329 | |
| PubChem: | 5281779 | |
| IUPAC: | 9-hydroxy-7-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one | |
| Standard InChI: | InChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2 | |
| Standard InChI Key: | NUGRQNBDTZWXTP-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc(cc1)c1coc2c(c1=O)c(O)c1c(c2)OCO1 | |
Molecular propeties
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| AlogP: | 2.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 298.05 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |