Structure Database (LMSD)

Common Name
4-keto myristic acid
Systematic Name
4-oxo-tetradecanoic acid
Synonyms
LM ID
LMFA01060044
Status
Active
Exact Mass
Calculate m/z
242.188195
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)
OUVOKRXNCJSVKU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14(16)17/h2-12H2,1H3,(H,16,17)
SMILES (Click to copy)
C(CCCCCCCCC)C(=O)CCC(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 271.85
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.95
Molar Refractivity 69.10

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Created at
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Updated at
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