Hydrotalcite, synthetic , CAS No.11097-59-9

CAS: 11097-59-9 Cat. No.: H302201 Molecular Weight: 603.98 EC Number: 234-319-3

Synonyms

[carbonato(2-)]hexadecahydroxybis(aluminium)hexamagnesium | Aluminum magnesium hydroxide carbonate | RFJ7QXF345 | Magnesium aluminum hydroxycarbonate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

[carbonato(2-)]hexadecahydroxybis(aluminium)hexamagnesium | Aluminum magnesium hydroxide carbonate | RFJ7QXF345 | Magnesium aluminum hydroxycarbonate

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488188287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188287
• Canonical Smiles: C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3]
• IUPAC Name: dialuminum;hexamagnesium;carbonate;hexadecahydroxide
• InChIKey: GDVKFRBCXAPAQJ-UHFFFAOYSA-A
• INCHI: 1S/CH2O3.2Al.6Mg.16H2O/c2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;;;16*1H2/q;2*+3;6*+2;;;;;;;;;;;;;;;;/p-18
• Isomeric SMILES: C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3]
• Molecular Weight: 603.98
• Reaxy-Rn: 15425095
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15425095&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Organic carbonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Organic carbonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids
• Alternative Parents: Carbonate salts Organic oxoanionic compounds Organic oxides Organic aluminium salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonate salt - Carbonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic aluminium salt - Organic salt - Organooxygen compound - Organic hydroxide - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 531.920 g/mol
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 0
• Exact Mass: 529.902 Da
• Monoisotopic Mass: 529.902 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 18.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 25

XLogP3

References

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