Calcium formate - UltraBio™, ≥99%(T) , CAS No.544-17-2

CAS: 544-17-2 Cat. No.: C755623 Molecular Weight: 130.11 Beilstein Registry Number: 3624099 EC Number: 208-863-7

GRADE & PURITY UltraBio™, ≥99%(T)

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

UltraBio™, ≥99%(T)

Storage

Room temperature

Shipped In

Normal

Grade

UltraBio™

Purity

≥99%(T)

Names and Identifiers

• PH: 6.0-8.0 (25 °C, 1 M in H 2 O)
• Canonical Smiles: C(=O)[O-].C(=O)[O-].[Ca+2]
• IUPAC Name: calcium;diformate
• InChIKey: CBOCVOKPQGJKKJ-UHFFFAOYSA-L
• INCHI: 1S/2CH2O2.Ca/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
• Isomeric SMILES: C(=O)[O-].C(=O)[O-].[Ca+2]
• WGK Germany: 1
• RTECS: LQ5600000
• Molecular Weight: 130.11
• Beilstein: 3624099
• Reaxy-Rn: 3624099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3624099&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid salts
• Alternative Parents: Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
• External Descriptors: Pesticides

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

• Solubility: H 2 O: 1 M at 20 °C, clear, colorless
• Melt Point(°C): 300°C
• Molecular Weight: 130.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 129.958 Da
• Monoisotopic Mass: 129.958 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 7.500
• 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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