Calcium;dihydroxide - ≥95% , CAS No.12177-68-3

CAS: 12177-68-3 Cat. No.: C1015119 Molecular Weight: 74.090

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [OH-].[OH-].[Ca+2]
• IUPAC Name: calcium;dihydroxide
• InChIKey: AXCZMVOFGPJBDE-UHFFFAOYSA-L
• INCHI: 1S/Ca.2H2O/h;2*1H2/q+2;;/p-2
• Molecular Weight: 74.090

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Alkaline earth metal oxoanionic compounds
      • Subclass Alkaline earth metal hydroxides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkaline earth metal oxoanionic compounds
• Subclass: Alkaline earth metal hydroxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkaline earth metal hydroxides
• Alternative Parents: Inorganic oxides Inorganic hydrides Inorganic calcium salts
• Molecular Framework: Not available
• Substituents: Alkaline earth metal hydroxide - Inorganic calcium salt - Inorganic hydride - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkaline earth metal hydroxides. These are inorganic compounds in which the largest oxoanion is hydroxide, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
• External Descriptors: calcium hydroxide

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: 74.090 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 73.9681 Da
• Monoisotopic Mass: 73.9681 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 2.800
• 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: 3

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