Structure Database (LMSD)

Common Name
9-oxo-nonanoic acid
Systematic Name
9-oxo-nonanoic acid
Synonyms
LM ID
LMFA01060160
Status
Active
Exact Mass
Calculate m/z
172.109945
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)
WLGDDELKYAWBBL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)
SMILES (Click to copy)
C(CCCCCCCC([H])=O)(=O)O

References

Other Databases

LIPIDAT ID
5993
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 185.35
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.00
Molar Refractivity 46.02

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Created at
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Updated at
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