Calcium bicarbonate , CAS No.3983-19-5

CAS: 3983-19-5 Cat. No.: C941375 分子式: C₂H₂CaO₆ 分子量: 162.110 EC番号: 807-673-7

Storage

Room temperature

仕様

保管条件

Room temperature

名前と識別子

カノニカル・スマイル

C(=O)(O)[O-].C(=O)(O)[O-].[Ca+2]

IUPAC Name

calcium;hydrogen carbonate

InChIKey

NKWPZUCBCARRDP-UHFFFAOYSA-L

INCHI

1S/2CH2O3.Ca/c2*2-1(3)4;/h2*(H2,2,3,4);/q;;+2/p-2

分子量

162.110

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic carbonic acids and derivatives
• Subclass: Organic carbonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids
• Alternative Parents: Carbonate salts Organic calcium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Not available
• Substituents: Carbonate salt - Carbonic acid - Organic calcium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 162.110 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 161.948 Da
• Monoisotopic Mass: 161.948 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 24.800
• 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

XLogP3