Structure Database (LMSD)

Common Name
8,9-Epoxy-2Z-decene-4,6-diynoic acid
Systematic Name
8,9-Epoxy-2Z-decene-4,6-diynoic acid
Synonyms
  • 8,9-Epoxy-2-decene-4,6-diynoic acid, (Z)-
  • 8,9-Epoxy-Z-Matricaric acid
  • 8(9)-Epoxy-2Z-decene-4,6-diynoic acid
LM ID
LMFA01070027
Status
Active
Exact Mass
Calculate m/z
176.047345
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)
UBMRQHZPEXIXEJ-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C10H8O3/c1-8-9(13-8)6-4-2-3-5-7-10(11)12/h5,7-9H,1H3,(H,11,12)/b7-5-
SMILES (Click to copy)
C(/C=C\C#CC#CC1OC1C)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 179.73
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 0.99
Molar Refractivity 47.69

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Created at
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Updated at
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