Structure Database (LMSD)

Common Name
11-hydroxy-dodecanoic acid
Systematic Name
11-hydroxy-dodecanoic acid
Synonyms
LM ID
LMFA01050165
Formula
Exact Mass
Calculate m/z
216.172545
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
KQGAHNAFXMVSGY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
SMILES (Click to copy)
C(CCCCCCCCCC(O)C)(=O)O

Other Databases

LIPIDAT ID
4602
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 239.89
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.25
Molar Refractivity 61.38

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Created at
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Updated at
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