Structure Database (LMSD)

Common Name
beta-hydroxylauric acid
Systematic Name
3-hydroxy-dodecanoic acid
Synonyms
LM ID
LMFA01050037
Status
Active
Exact Mass
Calculate m/z
216.172545
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)
MUCMKTPAZLSKTL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
SMILES (Click to copy)
C(O)(CCCCCCCCC)CC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 239.89
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.25
Molar Refractivity 61.38

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Created at
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Updated at
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