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Potassium Benzoate for Synthesis

CAT: 0459-195215-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0459-195215-01Size:250 g
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CAS Number
582-25-2

Chemical Information

Potassium Benzoate

See also: Benzoic Acid (broader); Sodium Benzoate (related).

CAS Number582-25-2
PubChem CID23661960
IUPAC Namepotassium benzoate
Molecular FormulaC7H5KO2
Molecular Weight160.21
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
C1=CC=C(C=C1)C(=O)[O-].[K+]
InChI
InChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKey
XAEFZNCEHLXOMS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Potassium Benzoate
CAS: 582-25-2
CID: 23661960
Formula: C7H5KO2
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight160.21
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass159.99266088
Monoisotopic Mass159.99266088
Topological Polar Surface Area40.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
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