Sesamol
Representations & DB's id
| ||
| ChEBI: | CHEBI:9126 | |
|---|---|---|
| ChEMBL: | CHEMBL1517998 | |
| PubChem: | 68289 | |
| IUPAC: | 1,3-benzodioxol-5-ol | |
| Standard InChI: | InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2 | |
| Standard InChI Key: | LUSZGTFNYDARNI-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc2c(c1)OCO2 | |
Molecular propeties
| ||
| AlogP: | 1.12 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 138.03 | |
| Topological polar surface area: | 38.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.143 | |
| Number of carbons: | 7 | |