2-Nonenal
Representations & DB's id
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ChEBI: | None | |
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ChEMBL: | CHEMBL450072 | |
PubChem: | 5283335 | |
IUPAC: | (E)-non-2-enal | |
Standard InChI: | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+ | |
Standard InChI Key: | BSAIUMLZVGUGKX-BQYQJAHWSA-N | |
SMILES: | CCCCCC/C=C/C=O |
Molecular propeties
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AlogP: | 2.71 | |
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Hydrogen bonds acceptors: | 1 | |
Hydrogen bonds donors: | 0 | |
Rotatable bonds: | 6 | |
Number of rings: | 0 | |
Molecular Weight: | 140.12 | |
Topological polar surface area: | 17.1 | |
Number of aromatic rings: | 0 | |
Fsp3: | 0.667 | |
Number of carbons: | 9 |