Sodium Naphthenate - ≥70% , CAS No.61790-13-4

CAS: 61790-13-4 Cat. No.: S304164 Summenformel: C₁₀H₁₇NaO₂ Molekulargewicht: 192.231 EG-Nummer: 263-108-9 PubChem CID: 23687326

GRADE & PURITY ≥70%

Synonyms

DTXSID30873022 | SCHEMBL5933805 | EPA Pesticide Chemical Code 589600 | sodium;3-(3-ethylcyclopentyl)propanoate | sodium 3-(3-ethylcyclopentyl)propanoate | Naphthathenic soap | EINECS 263-108-9 | UNII-51T3U9J3QH | FT-0774942 | 51T3U9J3QH | Naphthenic Acid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID30873022 | SCHEMBL5933805 | EPA Pesticide Chemical Code 589600 | sodium;3-(3-ethylcyclopentyl)propanoate | sodium 3-(3-ethylcyclopentyl)propanoate | Naphthathenic soap | EINECS 263-108-9 | UNII-51T3U9J3QH | FT-0774942 | 51T3U9J3QH | Naphthenic Acid

Spezifikationen & Reinheit

≥70%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥70%

Namen und Kennungen

Kanonisches Lächeln

CCC1CCC(C1)CCC(=O)[O-].[Na+]

IUPAC Name

sodium;3-(3-ethylcyclopentyl)propanoate

InChIKey

KQSJSRIUULBTSE-UHFFFAOYSA-M

INCHI

1S/C10H18O2.Na/c1-2-8-3-4-9(7-8)5-6-10(11)12;/h8-9H,2-7H2,1H3,(H,11,12);/q;+1/p-1

Isomere SMILES

CCC1CCC(C1)CCC(=O)[O-].[Na+]

PubChem CID

23687326

Molekulargewicht

192.231

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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 Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic homomonocyclic 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 - Carbonyl group - Organic cation - Aliphatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Molekulargewicht: 192.230 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.113 Da
• Monoisotopic Mass: 192.113 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 159.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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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