5,6,7-Trimethoxycoumarin
Representations & DB's id
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| ChEBI: | CHEBI:28126 | |
|---|---|---|
| ChEMBL: | CHEMBL607537 | |
| PubChem: | 148724 | |
| IUPAC: | 5,6,7-trimethoxychromen-2-one | |
| Standard InChI: | InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3 | |
| Standard InChI Key: | FOBNRKTURPWTQX-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc(=O)ccc2c(c1OC)OC | |
Molecular propeties
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| AlogP: | 1.82 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 236.07 | |
| Topological polar surface area: | 54 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 12 | |