Structure Database (LMSD)

Common Name
3Z,9Z,12Z-Octadecatrienoic acid
Systematic Name
3Z,9Z,12Z-Octadecatrienoic acid
Synonyms
  • 3,9,12-Octadecatrienoic acid, (Z,Z,Z)-
  • 3c,9c,12c-Octadecatrienoic acid
LM ID
LMFA01031055
Status
Active
Exact Mass
Calculate m/z
278.22458
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)
FEWFGHQMEYATJR-URZBRJKDSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,15-16H,2-5,8,11-14,17H2,1H3,(H,19,20)/b7-6-,10-9-,16-15-
SMILES (Click to copy)
C(C/C=C\CCCC/C=C\C/C=C\CCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.98
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.66
Molar Refractivity 86.9

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Created at
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Updated at
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