Apiol
Representations & DB's id
| ||
| ChEBI: | CHEBI:70353 | |
|---|---|---|
| ChEMBL: | CHEMBL1560118 | |
| PubChem: | 10659 | |
| IUPAC: | 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole | |
| Standard InChI: | InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3 | |
| Standard InChI Key: | QQRSPHJOOXUALR-UHFFFAOYSA-N | |
| SMILES: | C=CCc1cc(OC)c2c(c1OC)OCO2 | |
Molecular propeties
| ||
| AlogP: | 2.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 222.09 | |
| Topological polar surface area: | 36.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 12 | |