Sodium formate-¹³C - ≥99 atom% 13C , CAS No.23102-86-5

CAS: 23102-86-5 Cat. No.: S334941 分子式: H¹³CO₂Na 分子量: 69.00 EC番号: 693-173-2

GRADE & PURITY ≥99 atom% 13C

Synonyms

sodium;oxo(113C)methanolate | J-014988 | Sodium formate-13C, 99 atom % 13C | HY-W088065S | Formate-13C (sodium) | MFCD00064569 | Sodiumformate-13C | Sodium formate-13C | Formic-13C acid sodium salt | AKOS015913260 | Sodium Formate-1-13C

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

概要

Metabolism, Metabolomics, MS/MS Standards, Synthetic Intermediates

Specifications

同義語

sodium;oxo(113C)methanolate | J-014988 | Sodium formate-13C, 99 atom % 13C | HY-W088065S | Formate-13C (sodium) | MFCD00064569 | Sodiumformate-13C | Sodium formate-13C | Formic-13C acid sodium salt | AKOS015913260 | Sodium Formate-1-13C

仕様と純度

≥99 atom% 13C

保管条件

Protected from light,Room temperature,Argon charged,Desiccated

入荷

Normal

純度

≥99 atom% 13C

名前と識別子

• パブケム・シド: 504768143
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504768143
• カノニカル・スマイル: C(=O)[O-].[Na+]
• IUPAC Name: sodium;oxo(113C)methanolate
• InChIKey: HLBBKKJFGFRGMU-YTBWXGASSA-M
• INCHI: 1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1/i1+1
• 異性体SMILES: [13CH](=O)[O-].[Na+]
• WGKドイツ: 3
• 代替CAS番号: 141-53-7（Unlabeled）
• 分子量: 69.00

Taxonomic Classification

Taxonomy Tree

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

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

化学的性質と物理的性質

• 感度: Moisture sensitive;Light sensitive
• 融点（°C）: 259-262° C (lit.)
• 分子量: 69.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 68.9908 Da
• Monoisotopic Mass: 68.9908 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 13.500
• Isotope Atom Count: 1
• 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

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