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Sodium Flavonol-2'-sulfonate Hydrate [for Determination of Sn, Zr] - >98.0%(T), high purity , CAS No.77125-87-2

COA

Grade & Purity:

≥98%(T)

Cas Number: 77125-87-2
Molecular Weight: 340.28
MDL number: MFCD00059757
PubChem CID: 44630295

In stock

Item Number

S161352

Grouped product items
SKU	Size	Availability	Price	Qty
S161352-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$97.90
S161352-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90

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Six-Membered Heterocyclic Compounds (1696) Spectroscopic reagent (233)

Basic Description

Synonyms	3-Hydroxyflavone-2'-sulfonic Acid Sodium Salt \| DTXSID30659909 \| F0184 \| Sodium Flavonol-2'-sulfonate Hydrate [for Determination of Sn, Zr] \| Sodium 2-(3-hydroxy-4-oxo-4H-1-benzopyran-2-yl)benzene-1-sulfonate \| Flavonol-2'-sulfonic Acid Sodium Salt \| E789
Specifications & Purity	≥98%(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass Flavones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	Flavones
Intermediate Tree Nodes	Not available
Direct Parent	Flavonols
Alternative Parents	3-hydroxyflavonoids Chromones Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Pyranones and derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-hydroxyflavone - 3-hydroxyflavonoid - Hydroxyflavonoid - Chromone - Benzopyran - Benzenesulfonate - 1-benzopyran - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organoheterocyclic compound - Organic alkali metal salt - Oxacycle - Organic salt - Organosulfur compound - Organooxygen compound - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	sodium;2-(3-hydroxy-4-oxochromen-2-yl)benzenesulfonate
INCHI	InChI=1S/C15H10O6S.Na/c16-13-9-5-1-3-7-11(9)21-15(14(13)17)10-6-2-4-8-12(10)22(18,19)20;/h1-8,17H,(H,18,19,20);/q;+1/p-1
InChIKey	BAUFCGCZFJQCFG-UHFFFAOYSA-M
Smiles	C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+]
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+]
PubChem CID	44630295
Molecular Weight	340.28

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	340.300 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	340.002 Da
Monoisotopic Mass	340.002 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	594.000
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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