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Potassium tert-butoxide

CAT: 0063-12739396Size: 500 gDry Ice: NoHazardous: No
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CAT#:0063-12739396Size:500 g
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CAS Number
865-47-4

Chemical Information

Potassium tert-butoxide

See also: Potassium t-butylate (annotation moved to); Potassium tert-butoxide (annotation moved to).

CAS Number865-47-4
PubChem CID23665647
IUPAC Namepotassium 2-methylpropan-2-olate
Molecular FormulaC4H9KO
Molecular Weight112.21
Topological Polar Surface Area23.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity29
SMILES
CC(C)(C)[O-].[K+]
InChI
InChI=1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKey
LPNYRYFBWFDTMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Potassium tert-butoxide
CAS: 865-47-4
CID: 23665647
Formula: C4H9KO
MW: 112.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight112.21
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass112.02904639
Monoisotopic Mass112.02904639
Topological Polar Surface Area23.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity29
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