Potassium Guaiacolsulfonate Hemihydrate - ≥98%(HPLC)(T) , CAS No.16241-25-1

CAS: 16241-25-1 Cat. No.: P160347 Peso molecular: 242.29 PubChem CID: 23679005

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

POTASSIUM GUAIACOLSULFONATE [JAN] | CCG-266892 | Monopotassium 4-hydroxy-3-methoxybenzenesulphonate | AKOS003407104 | CHEBI:32033 | Guaiacolsulfonic Acid Potassium Salt | AKOS037515484 | Q27114752 | 4-Hydroxy-3-methyoxybenzenesulfonic acid, potassium salt

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

POTASSIUM GUAIACOLSULFONATE [JAN] | CCG-266892 | Monopotassium 4-hydroxy-3-methoxybenzenesulphonate | AKOS003407104 | CHEBI:32033 | Guaiacolsulfonic Acid Potassium Salt | AKOS037515484 | Q27114752 | 4-Hydroxy-3-methyoxybenzenesulfonic acid, potassium salt

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.[K+]
• IUPAC Name: potassium;4-hydroxy-3-methoxybenzenesulfonate
• InChIKey: QFRKWSPTCBGLSU-UHFFFAOYSA-M
• INCHI: 1S/C7H8O5S.K/c1-12-7-4-5(13(9,10)11)2-3-6(7)8;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1
• Isómeros SMILES: COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.[K+]
• PubChem CID: 23679005
• Peso molecular: 242.29
• Reaxy-Rn: 3764215

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ether - Organic alkali metal salt - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic potassium salt - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: potassium salt - organosulfonate salt

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

• Peso molecular: 242.290 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 241.965 Da
• Monoisotopic Mass: 241.965 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 260.000
• 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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