Structure database (LMSD)

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LM IDLMFA01050023
Common Name8-hydroxy caprylic acid
Systematic Name8-hydroxy-octanoic acid
Synonyms-
Exact Mass
160.1099 (neutral)    Calculate m/z:
FormulaC8H16O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0289
PubChem CID69820
HMDB IDHMDB0061914
PlantFA ID10252
InChIKeyKDMSVYIHKLZKET-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)
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SMILES
C(CCCCCO)CC(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
170.69Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.69Molar
Refractivity
42.91