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Potassium Perfluorooctanesulfonate

CAT: 1596-AR-P30943-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P30943-01Size:10 Units
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CAS Number
2795-39-3
Synonyms
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate, potassium salt (1:1)
Molecular Formula
C8F17O3S. K
Molecular Weight
499.12 39.10
API Name
Perfluoroalkyl sulfonates

Chemical Information

Potassium perfluorooctanesulfonate
CAS Number2795-39-3
PubChem CID23669238
IUPAC Namepotassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
Molecular FormulaC8F17KO3S
Molecular Weight538.22
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity733
SMILES
C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+]
InChI
InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1
InChIKey
WFRUBUQWJYMMRQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Potassium perfluorooctanesulfonate
CAS: 2795-39-3
CID: 23669238
Formula: C8F17KO3S
MW: 538.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight538.22
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count7
Exact Mass537.8933753
Monoisotopic Mass537.8933753
Topological Polar Surface Area65.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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