Structure Database (LMSD)
Common Name
9-dimethylarsinoyl-nonanoic acid
Systematic Name
9-dimethylarsinoyl-nonanoic acid
Synonyms
LM ID
LMFA00000030
Formula
C11H23O3As
Exact Mass
Calculate m/z
278.086316
Status
Active
3D model of 9-dimethylarsinoyl-nonanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Reference
Arsenolipids in marine oils and fats: A review of occurrence, chemistry and future research needs. Veronika Sele, Jens J. Sloth, Anne-Katrine Lundebye, Erik H. Larsen, Marc H. G. Berntssen, Heidi Amlund. Food Chemistry. Volume 133, Issue 3, 1 August 2012, Pages 618-630. DOI: /10.1016/j.foodchem.2012.02.004
https://www.sciencedirect.com/science/article/pii/S0308814612001677?via%3Dihub
https://www.sciencedirect.com/science/article/pii/S0308814612001677?via%3Dihub
String Representations
InChiKey (Click to copy)
KCRYGWREJDRGBG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H23AsO3/c1-12(2,15)10-8-6-4-3-5-7-9-11(13)14/h3-10H2,1-2H3,(H,13,14)
SMILES (Click to copy)
C(CCCCCCCC(=O)O)[As](C)(=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
244.51
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.44
Molar Refractivity
62.93
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Created at
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Updated at
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