Structure Database (LMSD)

Common Name
Suberic acid
Systematic Name
1,8-octanedioic acid
Synonyms
  • Cork acid
LM ID
LMFA01170001
Status
Active
Exact Mass
Calculate m/z
174.08921
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)
TYFQFVWCELRYAO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
SMILES (Click to copy)
OC(CCCCCCC(=O)O)=O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 176.84
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 1.50
Molar Refractivity 42.97

Admin

Created at
-
Updated at
-