3-Allyloxy-2-hydroxy-1-propanesulfonic acid sodium salt solution - 40 wt. % in H2O , CAS No.52556-42-0

CAS: 52556-42-0 Cat. No.: S193746 Peso molecular: 218.2 Número EC: 258-004-5 PubChem CID: 23677323

GRADE & PURITY 40 wt. % in H2O

Synonyms

SCHEMBL690599 | sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate | MFCD00080396 | G49391UTKD | 1-Propanesulfonic acid, 2-hydroxy-3-(2-propen-1-yloxy)-, sodium salt (1:1) | EINECS 258-004-5 | SODIUM 2-HYDROXY-3-(2-PROPENYLOXY)-1-PROPANESULFONATE | SY006657

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL690599 | sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate | MFCD00080396 | G49391UTKD | 1-Propanesulfonic acid, 2-hydroxy-3-(2-propen-1-yloxy)-, sodium salt (1:1) | EINECS 258-004-5 | SODIUM 2-HYDROXY-3-(2-PROPENYLOXY)-1-PROPANESULFONATE | SY006657

Especificaciones y pureza

40 wt. % in H2O

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 504769614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769614
• Sonrisas canónicas: C=CCOCC(CS(=O)(=O)[O-])O.[Na+]
• IUPAC Name: sodium;2-hydroxy-3-prop-2-enoxypropane-1-sulfonate
• InChIKey: CJGJYOBXQLCLRG-UHFFFAOYSA-M
• INCHI: 1S/C6H12O5S.Na/c1-2-3-11-4-6(7)5-12(8,9)10;/h2,6-7H,1,3-5H2,(H,8,9,10);/q;+1/p-1
• Isómeros SMILES: C=CCOCC(CS(=O)(=O)[O-])O.[Na+]
• PubChem CID: 23677323
• Peso molecular: 218.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Secondary alcohols Dialkyl ethers Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Secondary alcohol - Dialkyl ether - Ether - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Alcohol - Organic salt - Organic sodium salt - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.394
• Peso molecular: 218.210 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 218.022 Da
• Monoisotopic Mass: 218.022 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 220.000
• 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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