Potassium 1-Naphthaleneacetate - ≥99%(T) , CAS No.15165-79-4

CAS: 15165-79-4 Cat. No.: P160340 Molecular Weight: 224.3 EC Number: 239-220-9 PubChem CID: 23700091

GRADE & PURITY ≥99%(T)

Synonyms

1-Naphthaleneacetic acid potassium | Potassium alpha-naphthaleneacetate | Calcomine Green BY | DTXSID2034833 | AC8870 | potassium;2-naphthalen-1-ylacetate | SY066740 | Potassium 1-naphthaleneacetate | 1-Naphthaleneacetic acid, potassium salt | K-NAA | UNI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Naphthaleneacetic acid potassium | Potassium alpha-naphthaleneacetate | Calcomine Green BY | DTXSID2034833 | AC8870 | potassium;2-naphthalen-1-ylacetate | SY066740 | Potassium 1-naphthaleneacetate | 1-Naphthaleneacetic acid, potassium salt | K-NAA | UNI

Specifications & Purity

≥99%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(T)

Names and Identifiers

• Pubchem Sid: 488200583
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200583
• Canonical Smiles: C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+]
• IUPAC Name: potassium;2-naphthalen-1-ylacetate
• InChIKey: HPQBUYIHTJNBOM-UHFFFAOYSA-M
• INCHI: 1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+]
• RTECS: QJ1270000
• PubChem CID: 23700091
• Molecular Weight: 224.3
• Reaxy-Rn: 4165709

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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: 224.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.024 Da
• Monoisotopic Mass: 224.024 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 218.000
• 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: 2

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