Structure Database (LMSD)

Common Name
2E-Decenedioic acid
Systematic Name
2E-Decenedioic acid
Synonyms
LM ID
LMFA01170032
Status
Active
Exact Mass
Calculate m/z
200.10486
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)
XUNMWLWTZWWEIE-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H,1-4,6,8H2,(H,11,12)(H,13,14)/b7-5+
SMILES (Click to copy)
C(/C=C/CCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
2720
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 208.80
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.05
Molar Refractivity 52.11

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Created at
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Updated at
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