Structure Database (LMSD)

Common Name
12-tridecenoic acid
Systematic Name
12-tridecenoic acid
Synonyms
  • C13:1n-1
LM ID
LMFA01030046
Status
Active
Exact Mass
Calculate m/z
212.17763
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)
PARCICAYFORNPH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)
SMILES (Click to copy)
C(CC=C)CCCCCCCCC(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.16
Molar Refractivity 64.00

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Created at
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Updated at
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