9-Octadecynoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:28801 | |
|---|---|---|
| ChEMBL: | CHEMBL482804 | |
| PubChem: | 68167 | |
| IUPAC: | octadec-9-ynoic acid | |
| Standard InChI: | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20) | |
| Standard InChI Key: | RGTIBVZDHOMOKC-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCC#CCCCCCCCC(=O)O | |
Molecular propeties
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| AlogP: | 5.56 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 13 | |
| Number of rings: | 0 | |
| Molecular Weight: | 280.24 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 18 | |