Structure Database (LMSD)

Common Name
Pelargonaldehyde
Systematic Name
nonanal
Synonyms
LM ID
LMFA06000040
Status
Active
Exact Mass
Calculate m/z
142.135765
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)
GYHFUZHODSMOHU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
SMILES (Click to copy)
C(CCCCCCC([H])=O)C

References

Other Databases

Wikipedia
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 170.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.94
Molar Refractivity 44.06

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Updated at
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