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Barium (II) acetate

CAT: 0127-IN1174-01Size: 500 gDry Ice: NoHazardous: No
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CAT#:0127-IN1174-01Size:500 g
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CAS Number
543-80-6
MDL Number
MFCD00012447
Purity
Reagent grade
Smiles
[Ba+2].CC(=O)[O-].CC(=O)[O-]

Chemical Information

Barium acetate

Barium acetate is an acetate salt in which the cationic component is barium(2+). It has a role as a catalyst and a mordant. It is an organic barium salt and an acetate salt.

CAS Number543-80-6
PubChem CID10980
IUPAC Namebarium(2+) diacetate
Molecular FormulaC4H6BaO4
Molecular Weight255.41
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity25
SMILES
CC(=O)[O-].CC(=O)[O-].[Ba+2]
InChI
InChI=1S/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey
ITHZDDVSAWDQPZ-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Barium acetate
CAS: 543-80-6
CID: 10980
Formula: C4H6BaO4
MW: 255.41
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight255.41
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass255.931856
Monoisotopic Mass255.931856
Topological Polar Surface Area80.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity25.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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