Hexanoate
Representations & DB's id
| ||
| ChEBI: | CHEBI:30776 | |
|---|---|---|
| ChEMBL: | CHEMBL14184 | |
| PubChem: | 8892 | |
| IUPAC: | hexanoic acid | |
| Standard InChI: | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) | |
| Standard InChI Key: | FUZZWVXGSFPDMH-UHFFFAOYSA-N | |
| SMILES: | CCCCCC(=O)O | |
Molecular propeties
| ||
| AlogP: | 1.65 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 116.08 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 6 | |