Calcium oxalate monohydrate - PrimorTrace™, ≥99.99% metals basis , CAS No.5794-28-5

CAS: 5794-28-5 Cat. No.: C124191 Fórmula: CaC₂O₄ · H2O Peso molecular: 146.11 Beilstein Registry Number: 3757668 Número CE: 638-840-0

GRAU & PUREZA PrimorTrace™, ≥99.99% metals basis

Synonyms

AKOS015916111 | UNII-4PP86KK527 | DTXSID50973513 | N-UNDECYLETHER | 4PP86KK527 | Calcium oxalate hydrate | Ethanedioic acid, calcium salt (1:1), monohydrate | Q27260343 | Calcium ethanedioate--water (1/1/1) | Ethanedioic acid, calcium salt, hydrate (1:1:1

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificações

Sinónimos

AKOS015916111 | UNII-4PP86KK527 | DTXSID50973513 | N-UNDECYLETHER | 4PP86KK527 | Calcium oxalate hydrate | Ethanedioic acid, calcium salt (1:1), monohydrate | Q27260343 | Calcium ethanedioate--water (1/1/1) | Ethanedioic acid, calcium salt, hydrate (1:1:1

Especificações e pureza

PrimorTrace™, ≥99.99% metals basis

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Grau

PrimorTrace™

Pureza

≥99.99% metals basis

Nomes e identificadores

Pubchem Sid

528775457

Sorrisos canónicos

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

IUPAC Name

calcium;oxalate;hydrate

InChIKey

LQHWSGSWNOHVHO-UHFFFAOYSA-L

INCHI

1S/C2H2O4.Ca.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2

SMILES isoméricas

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

WGK Alemanha

3

CAS alternativo

563-72-4

Peso molecular

146.11

Beilstein

3757668

Reaxy-Rn

3757668

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3757668&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid salts Organic calcium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic calcium salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Sensibilidade: Hygroscopic
• Peso molecular: 146.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 145.953 Da
• Monoisotopic Mass: 145.953 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 60.500
• 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