[9，9'-Bi-9H-fluorene]-9，9'-diol - ≥95% , CAS No.3073-51-6

CAS: 3073-51-6 Cat. No.: B769487 Molecular Weight: 362.4199

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4(C5=CC=CC=C5C6=CC=CC=C64)O)O
• InChIKey: BYCCQIUUDIJFFJ-UHFFFAOYSA-N
• INCHI: 1S/C26H18O2/c27-25(21-13-5-1-9-17(21)18-10-2-6-14-22(18)25)26(28)23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,27-28H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4(C5=CC=CC=C5C6=CC=CC=C64)O)O
• Molecular Weight: 362.4199

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Tertiary alcohols 1,2-diols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Tertiary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 528.2±50.0°C(Predicted)
• Melt Point(°C): 190 °C
• Molecular Weight: 362.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 362.131 Da
• Monoisotopic Mass: 362.131 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 503.000
• 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