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EDTA tripotassium salt

CAT: 0063-52369963Size: 100 gDry Ice: NoHazardous: No
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CAT#:0063-52369963Size:100 g
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CAS Number
17572-97-3

Chemical Information

Edetate Tripotassium
CAS Number17572-97-3
PubChem CID62717
IUPAC Nametripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
Molecular FormulaC10H13K3N2O8
Molecular Weight406.51
Topological Polar Surface Area164
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity351
SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[K+].[K+].[K+]
InChI
InChI=1S/C10H16N2O8.3K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3
InChIKey
FYZXEMANQYHCFX-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Edetate Tripotassium
CAS: 17572-97-3
CID: 62717
Formula: C10H13K3N2O8
MW: 406.51
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.51
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass405.9583098
Monoisotopic Mass405.9583098
Topological Polar Surface Area164 Ų
Heavy Atom Count23
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes