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Cacodylic Acid sodium hydrate

CAT: 0013-GTR19232247Size: 10 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19232247Size:10 g
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Description
Cacodylic acid is used as a buffer in electron microscopy and for arsenic derivatization in protein crystallography for SAD phasing. Studies in rats indicate it can promote tumor formation in several organs, including the bladder at concentrations from 50 ppm, when co-administered with carcinogens.
CAS Number
6131-99-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O.O.O.[Na+].C[As] (C) ([O-]) =O
Molecular Formula
C2H12AsNaO5
Molecular Weight
214.024
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium cacodylate trihydrate
CAS Number6131-99-3
PubChem CID23679059
IUPAC Namesodium;dimethylarsinate;trihydrate
Molecular FormulaC2H12AsNaO5
Molecular Weight214.03
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
C[As](=O)(C)[O-].O.O.O.[Na+]
InChI
InChI=1S/C2H7AsO2.Na.3H2O/c1-3(2,4)5;;;;/h1-2H3,(H,4,5);;3*1H2/q;+1;;;/p-1
InChIKey
RLGWPHBPRCROJO-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium cacodylate trihydrate
CAS: 6131-99-3
CID: 23679059
Formula: C2H12AsNaO5
MW: 214.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.03
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass213.979837
Monoisotopic Mass213.979837
Topological Polar Surface Area43.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity65.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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