Structure Database (LMSD)

Common Name
12-oxo-5E,8E,10Z-dodecatrienoic acid
Systematic Name
12-oxo-5E,8E,10Z-dodecatrienoic acid
Synonyms
LM ID
LMFA01060095
Formula
Exact Mass
Calculate m/z
208.109945
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
ZRIOISYGDYRQIK-JDNZBGOLSA-N
InChi (Click to copy)
InChI=1S/C12H16O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h2-5,7,9,11H,1,6,8,10H2,(H,14,15)/b4-2+,5-3+,9-7-
SMILES (Click to copy)
C(CCC/C=C/C/C=C/C=C\C([H])=O)(=O)O

Other Databases

LIPIDAT ID
5969
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 229.33
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.50
Molar Refractivity 59.59

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Created at
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Updated at
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