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

CAS: 10154-71-9 Cat. No.: P474189 Summenformel: C₉H₁₀O₄S Molekulargewicht: 214.24 EG-Nummer: 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

Übersicht

Description

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488190275

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

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

PubChem CID

555252

Molekulargewicht

214.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: methanol: soluble 25mg/mL, clear, colorless
• Molekulargewicht: 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

Häufig gestellte Fragen

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.