Sodium 1-hydroxy-2-oxo-2-(9-oxo-9H-fluoren-2-yl)ethanesulfonate - ≥95% , CAS No.51367-77-2

CAS: 51367-77-2 Cat. No.: S1000453 Molecular Weight: 340.29 PubChem CID: 23670340

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)C(O)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;1-hydroxy-2-oxo-2-(9-oxofluoren-2-yl)ethanesulfonate
• InChIKey: WUOKPJITVPRBOJ-UHFFFAOYSA-M
• INCHI: 1S/C15H10O6S.Na/c16-13(15(18)22(19,20)21)8-5-6-10-9-3-1-2-4-11(9)14(17)12(10)7-8;/h1-7,15,18H,(H,19,20,21);/q;+1/p-1
• Isomeric SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)C(O)S(=O)(=O)[O-].[Na+]
• PubChem CID: 23670340
• Molecular Weight: 340.29

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: Aryl alkyl ketones Sulfonyls Organosulfonic acids Alpha-hydroxy ketones Alkanesulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aryl alkyl ketone - Aryl ketone - Alpha-hydroxy ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Ketone - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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

• Molecular Weight: 340.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 340.002 Da
• Monoisotopic Mass: 340.002 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 583.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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