Tricalcium silicate - ≥95% , CAS No.12168-85-3

CAS: 12168-85-3 Cat. No.: T926519 Molecular Weight: 228.32 EC Number: 235-336-9

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [O-][Si]([O-])([O-])[O-].O=[Ca].[Ca+2].[Ca+2]
• IUPAC Name: dicalcium;oxocalcium;silicate
• InChIKey: BCAARMUWIRURQS-UHFFFAOYSA-N
• INCHI: 1S/3Ca.O4Si.O/c;;;1-5(2,3)4;/q;2*+2;-4
• Molecular Weight: 228.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkaline earth metal oxoanionic compounds
• Subclass: Alkaline earth metal silicates
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkaline earth metal silicates
• Alternative Parents: Miscellaneous silicates Metalloid salts Inorganic oxides Inorganic calcium salts
• Molecular Framework: Not available
• Substituents: Silicate - Alkaline earth metal silicate - Inorganic calcium salt - Inorganic oxide - Inorganic salt - Inorganic metalloid salt
• Description: This compound belongs to the class of inorganic compounds known as alkaline earth metal silicates. These are inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
• 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: 228.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 227.839 Da
• Monoisotopic Mass: 227.839 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 21.100
• 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: 4

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