Structure Database (LMSD)
Common Name
3-dimethylarsinoyl-propionic acid
Systematic Name
3-dimethylarsinoyl-propionic acid
Synonyms
LM ID
LMFA00000038
Formula
C5H11O3As
Exact Mass
Calculate m/z
193.992416
Status
Active
3D model of 3-dimethylarsinoyl-propionic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
WRRCIDKLWQEOMZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H11AsO3/c1-6(2,9)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
SMILES (Click to copy)
C(CC(=O)O)[As](C)(=O)C
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
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
140.71
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.10
Molar Refractivity
35.23
Admin
Created at
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Updated at
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