Sodium acetate - UltraPureChrom™, for HPLC, ≥99%(NT) , CAS No.127-09-3

CAS: 127-09-3 Cat. No.: S431678 Formula: CH₃COONa Molecular Weight: 82.03 EC Number: 204-823-8 PubChem CID: 517045

GRADE & PURITY UltraPureChrom™, for HPLC, ≥99%(NT)

Synonyms

Anhydrous sodium acetate | NCGC00260289-01 | AKOS003052995 | S0559 | Sodium acetate, AR, anhydrous, >=99% | Sodium acetate, BioUltra, for luminescence, anhydrous, >=99.0% (NT) | Sodium acetate-1-13c-2-d3 | NSC 77459 | SODIUM ACETATE [MI] | UNII-NVG71ZZ7P0

Storage

Room temperature

Specifications

Synonyms

Anhydrous sodium acetate | NCGC00260289-01 | AKOS003052995 | S0559 | Sodium acetate, AR, anhydrous, >=99% | Sodium acetate, BioUltra, for luminescence, anhydrous, >=99.0% (NT) | Sodium acetate-1-13c-2-d3 | NSC 77459 | SODIUM ACETATE [MI] | UNII-NVG71ZZ7P0

Specifications & Purity

UltraPureChrom™, for HPLC, ≥99%(NT)

Storage

Room temperature

Grade

for HPLC, UltraPureChrom™

Purity

≥99%(NT)

Names and Identifiers

Pubchem Sid

504758989

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758989

Canonical Smiles

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

IUPAC Name

sodium;acetate

InChIKey

VMHLLURERBWHNL-UHFFFAOYSA-M

INCHI

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

Isomeric SMILES

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

PubChem CID

517045

Molecular Weight

82.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid salts
          • Level6 Acetate salts

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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: organic sodium salt

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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA5A Tclin Carbonic anhydrase VA (1168 Activities)

Discover Target: CA5A

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

Discover Target: FFAR3

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Associated Targets(non-human)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Carbonic anhydrase (69 Activities)

Explore this target

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O: 10%, clear, colorless
• Flash Point(°C): >250°C
• Melt Point(°C): 324°C
• Molecular Weight: 82.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 82.0031 Da
• Monoisotopic Mass: 82.0031 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 34.600
• 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

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