Sodium acetate-1-(¹³C) - ≥99 atom% 13C , CAS No.23424-28-4

CAS: 23424-28-4 Cat. No.: S331497 Summenformel: CH₃¹³CO₂Na Molekulargewicht: 83.03

GRADE & PURITY ≥99 atom% 13C

Synonyms

Acetic acid-1-13C sodium salt | Sodium acetate 1-13C | Acetic-1-13C acid ,sodium salt | Sodium acetate C-13

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

Acetic acid-1-13C sodium salt | Sodium acetate 1-13C | Acetic-1-13C acid ,sodium salt | Sodium acetate C-13

Spezifikationen & Reinheit

≥99 atom% 13C

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥99 atom% 13C

Namen und Kennungen

Pubchem Sid

504769640

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769640

Kanonisches Lächeln

CC(=O)[O-].[Na+]

IUPAC Name

sodium;acetate

InChIKey

VMHLLURERBWHNL-CGOMOMTCSA-M

INCHI

1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1/i2+1;

Isomere SMILES

C[13C](=O)[O-].[Na+]

WGK Deutschland

1

Alternative CAS-Nummer

127-09-3(Unlabeled)

Molekulargewicht

83.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid salts
          • Ebene6 Acetate salts

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid salts
• Direct Parent: Acetate salts
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetate 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 - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acetate salts. These are organic compounds containing acetic acid as its acid component.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.Light sensitive
• Brechungsindex: n20D~1.38 (Predicted) (unlabeled)
• Schmelzpunkt (°C): >300° C (lit.)(dec.)
• Molekulargewicht: 83.026 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.0064 Da
• Monoisotopic Mass: 83.0064 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 34.600
• 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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