aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide

C2H12AlNO9Zr — CID 174395664

IUPACaluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide
SMILESNCC(=O)O.[Al+3].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/C2H5NO2.Al.7H2O.Zr/c3-1-2(4)5;;;;;;;;;/h1,3H2,(H,4,5);;7*1H2;/q;+3;;;;;;;;+4/p-7
InChIKeyJQAUVPZYSPXGOX-UHFFFAOYSA-G
MW312.32 g/mol
LogP-2.59
Rot. Bonds1

About aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide

aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide (PubChem CID 174395664) has the molecular formula C2H12AlNO9Zr and a molecular weight of 312.32 g/mol. Its IUPAC name is aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide.

Molecular Properties

Compound Namealuminum;2-aminoacetic acid;zirconium(4+);heptahydroxide
PubChem CID174395664
Molecular FormulaC2H12AlNO9Zr
Molecular Weight312.32 g/mol
Exact Mass310.94
IUPAC Namealuminum;2-aminoacetic acid;zirconium(4+);heptahydroxide
SMILESNCC(=O)O.[Al+3].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/C2H5NO2.Al.7H2O.Zr/c3-1-2(4)5;;;;;;;;;/h1,3H2,(H,4,5);;7*1H2;/q;+3;;;;;;;;+4/p-7
InChIKeyJQAUVPZYSPXGOX-UHFFFAOYSA-G
XLogP-2.59
TPSA273.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide?
The IUPAC name of aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide (CID 174395664) is aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide.
What is the SMILES notation for aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide?
The canonical SMILES for aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide is NCC(=O)O.[Al+3].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+4].
What is the InChIKey of aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide?
The InChIKey is JQAUVPZYSPXGOX-UHFFFAOYSA-G. The full InChI is InChI=1S/C2H5NO2.Al.7H2O.Zr/c3-1-2(4)5;;;;;;;;;/h1,3H2,(H,4,5);;7*1H2;/q;+3;;;;;;;;+4/p-7.
What are the key properties of aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide?
aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide has a molecular weight of 312.32 g/mol, XLogP of -2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide is sourced from PubChem (CID 174395664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).