2,3-Diphenylpropionic Acid - ≥98%(GC)(T) , CAS No.3333-15-1

CAS: 3333-15-1 Cat. No.: D138684 Fórmula: C₁₅H₁₄O₂ Peso molecular: 226.28 Número CE: 222-065-6

GRADE & PURITY ≥98%(GC)(T)

Synonyms

Oprea1_394675 | AS-47862 | SY021701 | IDI1_014781 | SCHEMBL67234 | MFCD00044405 | F16387 | EU-0000158 | D1790 | 2,3-diphenylpropanoic acid | 2,3-diphenyl-propanoic acid | NSC 11135 | Maybridge3_003394 | CCG-253843 | NSC49 | NSC-49 | AKOS001584772 | AKOS01

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Oprea1_394675 | AS-47862 | SY021701 | IDI1_014781 | SCHEMBL67234 | MFCD00044405 | F16387 | EU-0000158 | D1790 | 2,3-diphenylpropanoic acid | 2,3-diphenyl-propanoic acid | NSC 11135 | Maybridge3_003394 | CCG-253843 | NSC49 | NSC-49 | AKOS001584772 | AKOS01

Especificações e pureza

≥98%(GC)(T)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)(T)

Nomes e identificadores

• Pubchem Sid: 488182501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182501
• Sorrisos canónicos: C1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)O
• IUPAC Name: 2,3-diphenylpropanoic acid
• InChIKey: PCRICPYPVZKEBZ-UHFFFAOYSA-N
• INCHI: 1S/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17)
• SMILES isoméricas: C1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)O
• Peso molecular: 226.28
• Reaxy-Rn: 2268087
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2268087&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Phenylpropanoic acids Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - 3-phenylpropanoic-acid - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Ponto de ebulição (°C): 340 °C
• Ponto de fusão (°C): 89 °C
• Peso molecular: 226.270 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099 Da
• Monoisotopic Mass: 226.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 237.000
• 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: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3333-15-1, the molecular formula is C15H14O2, and the molecular weight is 226.28 g/mol. InChIKey PCRICPYPVZKEBZ-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.