Structure Database (LMSD)

Common Name
2-nonenal
Systematic Name
2-nonenal
Synonyms
LM ID
LMFA06000041
Status
Active
Exact Mass
Calculate m/z
140.120115
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

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

References

Other Databases

Wikipedia
CHEBI ID
PubChem CID

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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