Structure Database (LMSD)

Common Name
4-hydroxy capric acid
Systematic Name
4-hydroxy-decanoic acid
Synonyms
LM ID
LMFA01050031
Formula
Exact Mass
Calculate m/z
188.141245
Sum Composition
Status
Active

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

CHEBI ID
LIPIDBANK ID
DFA0297
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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