Structure Database (LMSD)
Common Name
9-oxo-nonanoic acid
Systematic Name
9-oxo-nonanoic acid
Synonyms
3D model of 9-oxo-nonanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
Admin
Created at
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Updated at
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