Structure Database (LMSD)

Common Name
4-keto stearic acid
Systematic Name
4-oxo-octadecanoic acid
Synonyms
LM ID
LMFA02000241
Status
Active
Exact Mass
Calculate m/z
298.250795
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)
NARNRJNUUFXXBI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h2-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCCCCCC)C(=O)CCC(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 341.05
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.51
Molar Refractivity 87.57

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Created at
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Updated at
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