Structure Database (LMSD)

Common Name
Sebacic acid
Systematic Name
Decanedioic acid
Synonyms
  • Iponic acid
  • Ipomic acid
LM ID
LMFA01170006
Status
Active
Exact Mass
Calculate m/z
202.12051
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)
CXMXRPHRNRROMY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
SMILES (Click to copy)
C(CCCCCCCCC(=O)O)(=O)O

References

Other Databases

Wikipedia
LIPIDAT ID
1818
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 211.44
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.28
Molar Refractivity 52.21

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Created at
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Updated at
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