3-Sulfopropyl methacrylate potassium salt - ≥96% , CAS No.31098-21-2

CAS: 31098-21-2 Cat. No.: S107131 Molecular Weight: 246.32 EC Number: 250-466-6 PubChem CID: 23682747

GRADE & PURITY ≥96%

Synonyms

3-SULFOPROPYL METHACRYLATE POTASSIUM | potassium;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate | DB14491 | 3-Sulfopropyl methacrylate potassium salt 100 microg/mL in Acetonitrile | 3-Sulfopropyl methacrylate,potassium salt | Q27252413 | Methacrylic Acid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-SULFOPROPYL METHACRYLATE POTASSIUM | potassium;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate | DB14491 | 3-Sulfopropyl methacrylate potassium salt 100 microg/mL in Acetonitrile | 3-Sulfopropyl methacrylate, potassium salt | Q27252413 | Methacrylic Acid

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488200517
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200517
• Canonical Smiles: CC(=C)C(=O)OCCCS(=O)(=O)[O-].[K+]
• IUPAC Name: potassium;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate
• InChIKey: PNOXUQIZPBURMT-UHFFFAOYSA-M
• INCHI: 1S/C7H12O5S.K/c1-6(2)7(8)12-4-3-5-13(9,10)11;/h1,3-5H2,2H3,(H,9,10,11);/q;+1/p-1
• Isomeric SMILES: CC(=C)C(=O)OCCCS(=O)(=O)[O-].[K+]
• WGK Germany: 3
• PubChem CID: 23682747
• Molecular Weight: 246.32
• Reaxy-Rn: 10491032

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Enoate esters Alkanesulfonic acids Monocarboxylic acids and derivatives Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic potassium salt - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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

• Melt Point(°C): 295°C
• Molecular Weight: 246.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 245.996 Da
• Monoisotopic Mass: 245.996 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 290.000
• 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

XLogP3

References

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