Calcium Mesoxalate Trihydrate - ≥98%(T) , CAS No.21085-60-9

CAS: 21085-60-9 Cat. No.: C154027 Peso molecular: 174.12

GRADE & PURITY ≥98%(T)

Synonyms

Q27263512 | KETOMALONIC ACID CALCIUM SALT | Propanedioic acid, 2-oxo-, calcium salt (1:1) | OXOMALONIC ACID CALCIUM SALT | EINECS 244-202-9 | SCHEMBL667809 | CALCIUM MESOXALATE [MI] | Calcium oxomalonate | Calcium 2-oxomalonate | MESOXALIC ACID CALCIUM |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Q27263512 | KETOMALONIC ACID CALCIUM SALT | Propanedioic acid, 2-oxo-, calcium salt (1:1) | OXOMALONIC ACID CALCIUM SALT | EINECS 244-202-9 | SCHEMBL667809 | CALCIUM MESOXALATE [MI] | Calcium oxomalonate | Calcium 2-oxomalonate | MESOXALIC ACID CALCIUM |

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: C(=O)(C(=O)[O-])C(=O)[O-].[Ca+2]
• IUPAC Name: calcium;2-oxopropanedioate
• InChIKey: YYJSBERANQTJJH-UHFFFAOYSA-L
• INCHI: 1S/C3H2O5.Ca/c4-1(2(5)6)3(7)8;/h(H,5,6)(H,7,8);/q;+2/p-2
• Isómeros SMILES: C(=O)(C(=O)[O-])C(=O)[O-].[Ca+2]
• Peso molecular: 174.12
• Reaxy-Rn: 15482442
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15482442&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Alpha-keto acids and derivatives Ketones Carboxylic acid salts Organic calcium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Keto acid - Dicarboxylic acid or derivatives - Alpha-keto acid - Ketone - Carboxylic acid salt - Organic calcium salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility in hot dilute HCl almost transparency
• Peso molecular: 156.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 155.937 Da
• Monoisotopic Mass: 155.937 Da
• Topological Polar Surface Area: 97.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 119.000
• 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: 2

XLogP3