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Chemistry

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Also known as:
Molecular Formula
C14H28AlN7O14Zr-3
Molecular Weight
636.62  g/mol
InChI Key
PRUFTUXJZHUQFT-UHFFFAOYSA-G

Aluminum Zirconium Glycinate
1 2D Structure

Aluminum Zirconium Glycinate

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/7C2H5NO2.Al.Zr/c7*3-1-2(4)5;;/h7*1,3H2,(H,4,5);;/q;;;;;;;;+4/p-7
2.1.2 InChI Key
PRUFTUXJZHUQFT-UHFFFAOYSA-G
2.1.3 Canonical SMILES
C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.[Al].[Zr+4]
2.2 Create Date
2012-07-12
3 Chemical and Physical Properties
Molecular Weight 636.62 g/mol
Molecular Formula C14H28AlN7O14Zr-3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count21
Rotatable Bond Count0
Exact Mass635.055661 g/mol
Monoisotopic Mass635.055661 g/mol
Topological Polar Surface Area463 Ų
Heavy Atom Count37
Formal Charge-3
Complexity37.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count9

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