Structure Database (LMSD)

Common Name
Malvalic acid
Systematic Name
8,9-methylene-8Z-heptadecenoic acid
Synonyms
  • Malvic acid
  • Halphenic acid
  • Malvalinic acid
  • Halphen acid
LM ID
LMFA01140002
Status
Active
Exact Mass
Calculate m/z
280.24023
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)
HPSSZFFAYWBIPY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)
SMILES (Click to copy)
OC(=O)CCCCCCC1CC=1CCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Malva verticillata (#446348)
Magnoliopsida (#3398)
Malvalic acid and its structure.,
Nature, 1957
Pubmed ID: 13430715

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 319.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.86
Molar Refractivity 84.97

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Updated at
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