Structure Database (LMSD)

Common Name
12-hydroxy-3Z,6Z-dodecadienoic acid
Systematic Name
12-hydroxy-3Z,6Z-dodecadienoic acid
Synonyms
LM ID
LMFA01050171
Formula
Exact Mass
Calculate m/z
212.141245
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
BSWDOBLGMLCOJP-NGNAIVRQSA-N
InChi (Click to copy)
InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-2,6,8,13H,3-5,7,9-11H2,(H,14,15)/b2-1-,8-6-
SMILES (Click to copy)
C(C/C=C\C/C=C\CCCCCO)(=O)O

References

Other Databases

LIPIDAT ID
4594
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 234.61
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.80
Molar Refractivity 61.19

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Created at
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Updated at
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