3-Hydroxycoumarin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL150372 | |
| PubChem: | 13650 | |
| IUPAC: | 3-hydroxychromen-2-one | |
| Standard InChI: | InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H | |
| Standard InChI Key: | MJKVTPMWOKAVMS-UHFFFAOYSA-N | |
| SMILES: | O=c1oc2ccccc2cc1O | |
Molecular propeties
| ||
| AlogP: | 1.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 162.03 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 9 | |