ácido 9-fluorenocarboxílico - ≥97%(T) , CAS No.1989-33-9

CAS: 1989-33-9 Cat. No.: F137506 Peso molecular: 210.23 Beilstein Registry Number: 9690 Número EC: 217-866-2

GRADE & PURITY ≥97%(T)

Synonyms

9-Fluorenecarboxylic acid | 9-fluorene-carboxylic acid | MFCD00001136 | CCG-103165 | Fluorene-9-carboxylic acid | SCHEMBL40500 | AM84682 | M65BW232U5 | 7HE50A367X | EINECS 224-323-3 | HMS1402M01 | Enamine_003081 | NSC5322 | NSC-5322 | H6OLZ060HI | 9H-fluo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

9-Fluorenecarboxylic acid | 9-fluorene-carboxylic acid | MFCD00001136 | CCG-103165 | Fluorene-9-carboxylic acid | SCHEMBL40500 | AM84682 | M65BW232U5 | 7HE50A367X | EINECS 224-323-3 | HMS1402M01 | Enamine_003081 | NSC5322 | NSC-5322 | H6OLZ060HI | 9H-fluo

Especificaciones y pureza

≥97%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O
• IUPAC Name: 9H-fluorene-9-carboxylic acid
• InChIKey: DNVJGJUGFFYUPT-UHFFFAOYSA-N
• INCHI: 1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)
• Isómeros SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O
• WGK Alemania: 3
• Peso molecular: 210.23
• Beilstein: 9690
• Reaxy-Rn: 1911728
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911728&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: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

Objetivos asociados (humanos)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 446°F
• Punto de inflamación (°C): 230℃
• Punto de fusión (°C): 226-234℃
• Peso molecular: 210.230 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.068 Da
• Monoisotopic Mass: 210.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 264.000
• 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. Shuangshuang Hou, Hui Gao, Peixuan Xie, Shiwei Jin, Fengtian Wu, Bien Tan.  (2025)  Improved porosity and CO2 capturing capacity in carboxyl enriched hyper-cross-linked polymers via side chain engineering of fluorene derivatives based building units.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.135792]