GRADE & PURITY ≥95%

Synonyms

EINECS 212-751-3 | cobalt(ii) citrate | COBALTOUS CITRATE [HSDB] | 07D5053T1R | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, cobalt(2+) salt (2:3) | cobalt(2+);2-hydroxypropane-1,2,3-tricarboxylate | Q27236297 | Tricobalt dicitrate | DTXSID70889440 | UNII

Storage

Room temperature

Specifications

Synonyms

EINECS 212-751-3 | cobalt(ii) citrate | COBALTOUS CITRATE [HSDB] | 07D5053T1R | 1, 2, 3-Propanetricarboxylic acid, 2-hydroxy-, cobalt(2+) salt (2:3) | cobalt(2+);2-hydroxypropane-1, 2, 3-tricarboxylate | Q27236297 | Tricobalt dicitrate | DTXSID70889440 | UNII

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488181832
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181832
• Canonical Smiles: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Co+2].[Co+2].[Co+2]
• IUPAC Name: cobalt(2+);2-hydroxypropane-1,2,3-tricarboxylate
• InChIKey: IEXXNGVQCLMTKU-UHFFFAOYSA-H
• INCHI: 1S/2C6H8O7.3Co/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
• Isomeric SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Co+2].[Co+2].[Co+2]
• Molecular Weight: 555.01(anhy)
• Reaxy-Rn: 16921710
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16921710&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Tertiary alcohols Carboxylic acid salts Carboxylic acids Organic oxides Organic cobalt salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic transition metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cobalt salt - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl 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

Chemical and Physical Properties

• Molecular Weight: 555.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 554.807 Da
• Monoisotopic Mass: 554.807 Da
• Topological Polar Surface Area: 281.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 211.000
• 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: 5

XLogP3