Calcium bicarbonate , CAS No.3983-19-5

CAS: 3983-19-5 Cat. No.: C941375 Molecular Weight: 162.110 EC Number: 807-673-7

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: 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
• Molecular Weight: 162.110

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 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
• 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: 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

References

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2. Ye Maosheng, Chen Wei, Wang Yixuan, Zhao Ran, Xiao Wuyi, Li Jiexin, Meng Jingxin, Wang Shutao.  (2024)  Temperature-driven sustainable anti-scaling on phase-change lubricant-infused surface.  Science China-Materials,      [PMID:] [10.1007/s40843-024-2895-4]

3. Weimin Fang, Wei Zeng, Yalan Huang, Anqi Chen, Yanbin Guo, Guanxi Wen, Jiayu Ye, Jinfeng Xu, Yingying Liu.  (2026)  Platelet-rich plasma-derived extracellular vesicles delivered niraparib for ultrasound imaging and atherosclerosis treatment.  JOURNAL OF NANOBIOTECHNOLOGY,      [PMID:41652437] [10.1186/s12951-026-04076-z]