Structure Database (LMSD)

Common Name
4Z-Tridecenal
Systematic Name
4Z-Tridecenal
Synonyms
LM ID
LMFA06000170
Status
Active
Exact Mass
Calculate m/z
196.182715
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)
SMJHEMUFVYWLOU-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,13H,2-8,11-12H2,1H3/b10-9-
SMILES (Click to copy)
C(CC/C=C\CCCCCCCC)(=O)[H]

References

Comments
Pherobase

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 236.97
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.27
Molar Refractivity 62.43

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Created at
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Updated at
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