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Tungstosilicic Acid Hydrate

CAT: 0127-IN12233Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-IN12233Size:1 Each
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CAS Number
12027-43-9
Synonyms
Silicic acid;1,3,5-trioxa-2?6,4?6,6?6-tritungstacyclohexane 2,2,4,4,6,6-hexaoxide; hydrate
MDL Number
MFCD00036271
Purity
99%
Smiles
O.O[Si](O)(O)O.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1

Chemical Information

Tungstosilicic acid, hydrate
CAS Number12027-43-9
PubChem CID91667950
IUPAC Namesilicic acid;dodecakis(trioxotungsten);hydrate
Molecular FormulaH6O41SiW12
Molecular Weight2896.2
Topological Polar Surface Area696
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count41
Rotatable Bond Count0
Heavy Atom Count54
Formal Charge0
Complexity81
SMILES
O.O[Si](O)(O)O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O
InChI
InChI=1S/H4O4Si.H2O.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-4H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKey
ACTPFSYIGLFGLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tungstosilicic acid, hydrate
CAS: 12027-43-9
CID: 91667950
Formula: H6O41SiW12
MW: 2896.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2896.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count41
Rotatable Bond Count0
Exact Mass2895.22727
Monoisotopic Mass2897.22657
Topological Polar Surface Area696 Ų
Heavy Atom Count54
Formal Charge0
Complexity81
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count14
Compound Is CanonicalizedYes

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