Structure Database (LMSD)

Common Name
Tridecylic acid
Systematic Name
tridecanoic acid
Synonyms
  • C13:0
LM ID
LMFA01010013
Status
Active
Exact Mass
Calculate m/z
214.19328
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)
SZHOJFHSIKHZHA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
SMILES (Click to copy)
C(CCC)CCCCCCCCC(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.38
Molar Refractivity 64.10

Admin

Created at
-
Updated at
29th Apr 2020