Camedon - ≥98% , CAS No.58880-43-6

CAS: 58880-43-6 Cat. No.: C1046872 Molecular Weight: 275.230

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)[O-].[Na+]
• IUPAC Name: sodium;2-(9-oxoacridin-10-yl)acetate
• InChIKey: FQMLTEAEJZVTAJ-UHFFFAOYSA-M
• INCHI: 1S/C15H11NO3.Na/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;/h1-8H,9H2,(H,17,18);/q;+1/p-1
• Molecular Weight: 275.230

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines
        • Level5 Acridines
          • Level6 Acridones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Acridones
• Alternative Parents: Hydroquinolones Alpha amino acids and derivatives Hydroquinolines Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic sodium salts Organonitrogen compounds Carbonyl compounds Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridone - Dihydroquinolone - Alpha-amino acid or derivatives - Dihydroquinoline - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic sodium salt - Organic salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
• 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: 275.230 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 275.056 Da
• Monoisotopic Mass: 275.056 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 361.000
• 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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