2,3-Dimethoxyxanthen-9-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1434162 | |
| PubChem: | 253955 | |
| IUPAC: | 2,3-dimethoxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C15H12O4/c1-17-13-7-10-12(8-14(13)18-2)19-11-6-4-3-5-9(11)15(10)16/h3-8H,1-2H3 | |
| Standard InChI Key: | FWCWUPRCWDSQEN-UHFFFAOYSA-N | |
| SMILES: | COc1cc2c(cc1OC)oc1c(c2=O)cccc1 | |
Molecular propeties
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| AlogP: | 2.96 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 256.07 | |
| Topological polar surface area: | 44.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |