Sorbic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:38358 | |
|---|---|---|
| ChEMBL: | CHEMBL250212 | |
| PubChem: | 643460 | |
| IUPAC: | (2E,4E)-hexa-2,4-dienoic acid | |
| Standard InChI: | InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+ | |
| Standard InChI Key: | WSWCOQWTEOXDQX-MQQKCMAXSA-N | |
| SMILES: | C/C=C/C=C/C(=O)O | |
Molecular propeties
| ||
| AlogP: | 1.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 112.05 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 6 | |