3-(Phenylsulfonyl)propionic acid - ≥98% , CAS No.10154-71-9

CAS: 10154-71-9 Cat. No.: P474189 Fórmula: C₉H₁₀O₄S Peso molecular: 214.24 Número CE: 818-539-2 PubChem CID: 555252

GRADE & PURITY ≥98%

Synonyms

3-phenylsulfonylpropionic acid | Oprea1_677351 | FT-0649948 | AMY3241 | J-510928 | 3-(Phenylsulfonyl)propanoicacid | EN300-35052 | SR-01000397818 | 3-(Phenylsulfonyl)propanoic acid; 3-(Phenylsulfonyl)propionic acid | 3-phenylsulfonylpropanoic acid | SR-01

Storage

Room temperature

Visão geral

Description

3-(Phenylsulfonyl)propionic acid may be used in chemical synthesis.

Specifications

Sinónimos

3-phenylsulfonylpropionic acid | Oprea1_677351 | FT-0649948 | AMY3241 | J-510928 | 3-(Phenylsulfonyl)propanoicacid | EN300-35052 | SR-01000397818 | 3-(Phenylsulfonyl)propanoic acid; 3-(Phenylsulfonyl)propionic acid | 3-phenylsulfonylpropanoic acid | SR-01

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488190275

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190275

Sorrisos canónicos

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)O

IUPAC Name

3-(benzenesulfonyl)propanoic acid

InChIKey

WGTYYNCSWCKXAI-UHFFFAOYSA-N

INCHI

1S/C9H10O4S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

SMILES isoméricas

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)O

PubChem CID

555252

Peso molecular

214.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
• 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

Propriedades químicas e físicas

• Solubilidade: methanol: soluble 25mg/mL, clear, colorless
• Peso molecular: 214.240 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 214.03 Da
• Monoisotopic Mass: 214.03 Da
• Topological Polar Surface Area: 79.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 282.000
• 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: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10154-71-9, the molecular formula is C9H10O4S, and the molecular weight is 214.24 g/mol. InChIKey WGTYYNCSWCKXAI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.