Structure Database (LMSD)

Common Name
DL-3-hydroxy caproic acid
Systematic Name
3-hydroxy-hexanoic acid
Synonyms
LM ID
LMFA01050012
Formula
Exact Mass
Calculate m/z
132.078645
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
HPMGFDVTYHWBAG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
SMILES (Click to copy)
C(O)(CCC)CC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0278
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 136.09
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.91
Molar Refractivity 33.68

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Created at
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Updated at
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