Structure Database (LMSD)

Common Name
4-keto lauric acid
Systematic Name
4-oxo-dodecanoic acid
Synonyms
LM ID
LMFA01060039
Status
Active
Exact Mass
Calculate m/z
214.156895
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)
HJMCWLADNPBBMN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h2-10H2,1H3,(H,14,15)
SMILES (Click to copy)
C(CCCCCCC)C(=O)CCC(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 237.25
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.17
Molar Refractivity 59.87

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Created at
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Updated at
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