Structure Database (LMSD)

Common Name
3-Acetoxystearic acid
Systematic Name
3-Acetoxy-octadecanoic acid
Synonyms
LM ID
LMFA01070025
Status
Active
Exact Mass
Calculate m/z
342.27701
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)
FCQLMPOGKXZXOP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-20(22)23)24-18(2)21/h19H,3-17H2,1-2H3,(H,22,23)
SMILES (Click to copy)
C(CC(OC(=O)C)CCCCCCCCCCCCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 384.44
Topological Polar Surface Area 63.6
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.16
Molar Refractivity 98.63

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Created at
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Updated at
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