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Gadolinium(3+),trinitrate,hexahydrate

CAT: 1266-JH652149Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
19598-90-4

Chemical Information

Gadolinium(III) nitrate, hexahydrate (1:3:6)
CAS Number19598-90-4
PubChem CID209258
IUPAC Namegadolinium(3+);trinitrate;hexahydrate
Molecular FormulaGdH12N3O15
Molecular Weight451.36
Topological Polar Surface Area195
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity18
SMILES
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Gd+3]
InChI
InChI=1S/Gd.3NO3.6H2O/c;3*2-1(3)4;;;;;;/h;;;;6*1H2/q+3;3*-1;;;;;;
InChIKey
XWFVFZQEDMDSET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gadolinium(III) nitrate, hexahydrate (1:3:6)
CAS: 19598-90-4
CID: 209258
Formula: GdH12N3O15
MW: 451.36
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight451.36
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count0
Exact Mass451.95095
Monoisotopic Mass451.95095
Topological Polar Surface Area195 Ų
Heavy Atom Count19
Formal Charge0
Complexity18.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count10
Compound Is CanonicalizedYes