Structure Database (LMSD)

Common Name
8-hydroxy-5,6-Octadienoic acid
Systematic Name
8-hydroxy-5,6-Octadienoic acid
Synonyms
  • 5,6-Octadienoic acid, 8-hydroxy-
  • 8-Hydroxy-Z,Z-5,6-octadienoic acid
  • 8-Hydroxyocta-5c,6c-dienoic acid
LM ID
LMFA01031076
Status
Active
Exact Mass
Calculate m/z
156.078645
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)
LNDWPMYWLUFZEI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11/h1,5,9H,2,4,6-7H2,(H,10,11)
SMILES (Click to copy)
C(CCCC=C=CCO)(=O)O

References

Other Databases

HMDB ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 165.41
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.23
Molar Refractivity 41.72

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Created at
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Updated at
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