Estragole
Representations & DB's id
| ||
| ChEBI: | CHEBI:4867 | |
|---|---|---|
| ChEMBL: | CHEMBL470671 | |
| PubChem: | 8815 | |
| IUPAC: | 1-methoxy-4-prop-2-enylbenzene | |
| Standard InChI: | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 | |
| Standard InChI Key: | ZFMSMUAANRJZFM-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)CC=C | |
Molecular propeties
| ||
| AlogP: | 2.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 148.09 | |
| Topological polar surface area: | 9.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 10 | |