Structure Database (LMSD)

Common Name
2-hydroxy caprylic acid
Systematic Name
2-hydroxy-octanoic acid
Synonyms
LM ID
LMFA01050020
Formula
Exact Mass
Calculate m/z
160.109945
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
JKRDADVRIYVCCY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
SMILES (Click to copy)
C(CCCCC)C(O)C(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0286
PubChem CID
GuidePharm 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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Updated at
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