Structure Database (LMSD)

Common Name
3-hydroxy caprylic acid
Systematic Name
3-hydroxy-octanoic acid
Synonyms
LM ID
LMFA01050021
Status
Active
Exact Mass
Calculate m/z
160.109945
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)
NDPLAKGOSZHTPH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
SMILES (Click to copy)
C(O)(CCCCC)CC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 170.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.69
Molar Refractivity 42.91

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Created at
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Updated at
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