Piperonal
Representations & DB's id
| ||
| ChEBI: | CHEBI:8240 | |
|---|---|---|
| ChEMBL: | CHEMBL271663 | |
| PubChem: | 8438 | |
| IUPAC: | 1,3-benzodioxole-5-carbaldehyde | |
| Standard InChI: | InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2 | |
| Standard InChI Key: | SATCULPHIDQDRE-UHFFFAOYSA-N | |
| SMILES: | O=Cc1ccc2c(c1)OCO2 | |
Molecular propeties
| ||
| AlogP: | 1.23 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 150.03 | |
| Topological polar surface area: | 35.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 8 | |