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Ammonium Bismuth Citrate Extrapure

CAT: 1507-18700500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1507-18700500Size:500 mg
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CAS Number
31886-41-6
HSN Code
29181590

Chemical Information

Bismuth ammonium citrate

See also: citric acid, ammonium bismuth salt (annotation moved to) ... View More ...

CAS Number31886-41-6
PubChem CID16211152
IUPAC Nametriazanium;bismuth;bis(2-hydroxypropane-1,2,3-tricarboxylate)
Molecular FormulaC12H22BiN3O14
Molecular Weight641.30
Topological Polar Surface Area284
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity211
SMILES
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+].[Bi+3]
InChI
InChI=1S/2C6H8O7.Bi.3H3N/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;3*1H3/q;;+3;;;/p-3
InChIKey
VZZHAYFWMLLWGG-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Bismuth ammonium citrate
CAS: 31886-41-6
CID: 16211152
Formula: C12H22BiN3O14
MW: 641.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight641.30
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass641.09058
Monoisotopic Mass641.09058
Topological Polar Surface Area284 Ų
Heavy Atom Count30
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes