Structure Database (LMSD)

Common Name
2-hendecenoic acid
Systematic Name
2-undecenoic acid
Synonyms
  • C11:1n-9
LM ID
LMFA01030034
Status
Active
Exact Mass
Calculate m/z
184.14633
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)
IGBBVTAVILYDIO-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/b10-9+
SMILES (Click to copy)
C(C)CCCCCC/C=C/C(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 211.16
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.38
Molar Refractivity 54.77

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Updated at
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