Trans-Asarone
Representations & DB's id
| ||
| ChEBI: | CHEBI:78309 | |
|---|---|---|
| ChEMBL: | CHEMBL333306 | |
| PubChem: | 636822 | |
| IUPAC: | 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene | |
| Standard InChI: | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+ | |
| Standard InChI Key: | RKFAZBXYICVSKP-AATRIKPKSA-N | |
| SMILES: | C/C=C/c1cc(OC)c(cc1OC)OC | |
Molecular propeties
| ||
| AlogP: | 2.75 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 208.11 | |
| Topological polar surface area: | 27.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 12 | |