Structure Database (LMSD)

Common Name
4-hydroxy capric acid
Systematic Name
4-hydroxy-decanoic acid
Synonyms
LM ID
LMFA01050031
Status
Active
Exact Mass
Calculate m/z
188.141245
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)
QQAVZEYXLCYOKO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O3/c1-2-3-4-5-6-9(11)7-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
SMILES (Click to copy)
C(C(O)CCCCCC)CC(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 205.29
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.47
Molar Refractivity 52.15

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Updated at
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