Structure Database (LMSD)

Common Name
2E,4Z,6Z,8Z-Decatetraenedioic acid
Systematic Name
2E,4Z,6Z,8Z-Decatetraenedioic acid
Synonyms
LM ID
LMFA01170004
Status
Active
Exact Mass
Calculate m/z
194.05791
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)
QHYKVJVPIJCRRT-URDDPPBGSA-N
InChi (Click to copy)
InChI=1S/C10H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H,(H,11,12)(H,13,14)/b3-1-,4-2-,7-5-,8-6+
SMILES (Click to copy)
C(/C=C/C=C\C=C/C=C\C(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
2690
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 200.88
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 1.38
Molar Refractivity 51.83

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Created at
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Updated at
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