ácido 9-fluorenona-4-carboxílico - ≥98%(HPLC)(T) , CAS No.6223-83-2

CAS: 6223-83-2 Cat. No.: F140225 Peso molecular: 224.22 Beilstein Registry Number: 2694801 Número EC: 228-311-9

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

9-Oxo-9H-fluorene-4-carboxylic acid # | FLUORENONE-5-CARBOXYLIC ACID | EINECS 228-311-9 | SR-01000596916 | FLUORENE-4-CARBOXYLIC ACID, 9-OXO- | MFCD00001145 | AKOS001581033 | F0804 | 9-Oxofluorene-4-carboxylic acid | MLS000737111 | SR-01000596916-1 | AC-1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

9-Oxo-9H-fluorene-4-carboxylic acid # | FLUORENONE-5-CARBOXYLIC ACID | EINECS 228-311-9 | SR-01000596916 | FLUORENE-4-CARBOXYLIC ACID, 9-OXO- | MFCD00001145 | AKOS001581033 | F0804 | 9-Oxofluorene-4-carboxylic acid | MLS000737111 | SR-01000596916-1 | AC-1

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 488185850
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185850
• Sonrisas canónicas: C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)O
• IUPAC Name: 9-oxofluorene-4-carboxylic acid
• InChIKey: AFQYQSWTVCNJQT-UHFFFAOYSA-N
• INCHI: 1S/C14H8O3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7H,(H,16,17)
• Isómeros SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)O
• WGK Alemania: 3
• Peso molecular: 224.22
• Beilstein: 2694801
• Reaxy-Rn: 2694801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2694801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Aryl ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aryl ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 226.0-230.0°C
• Peso molecular: 224.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 224.047 Da
• Monoisotopic Mass: 224.047 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 349.000
• 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: 1

Referencias

1. Haoxiang Meng, Song Xue, Sihui Ding, Qing Wu, Zanhao Huang, Qi Zhang.  (2025)  Cyclodextrin-electrokinetic chromatography using Betaine:Urea, a deep eutectic solvent as the separation medium.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40505363] [10.1016/j.chroma.2025.466130]