Structure Database (LMSD)

Common Name
(2E,4Z,7Z)-2,4,7-Tridecatrienal
Systematic Name
(2E,4E,7Z)-trideca-2,4,7-trienal
Synonyms
LM ID
LMFA06000255
Status
Active
Exact Mass
Calculate m/z
192.151415
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)
BIXIZZVISIZZDM-DFHZKIAOSA-N
InChi (Click to copy)
InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3/b7-6-,10-9+,12-11+
SMILES (Click to copy)
O=C/C=C/C=C/C/C=C\CCCCC

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 231.69
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.82
Molar Refractivity 62.24

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Created at
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Updated at
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