Structure Database (LMSD)
Common Name
2-nonenal
Systematic Name
2-nonenal
Synonyms
3D model of 2-nonenal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
BSAIUMLZVGUGKX-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+
SMILES (Click to copy)
C(CCCC/C=C/C([H])=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
167.77
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.71
Molar Refractivity
43.96
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Created at
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Updated at
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