2,2-Diphenylpropionic Acid - ≥96% , CAS No.5558-66-7

CAS: 5558-66-7 Cat. No.: D155026 Formule: C₁₅H₁₄O₂ Poids moléculaire: 226.28 Beilstein Registry Number: 9(2)474 Numéro CE: 226-924-6

QUALITÉ & PURETÉ ≥96%

Synonyms

n6-acetyllysine | 2,2-Diphenylpropanoic acid # | D1778 | Z1124125495 | EINECS 226-924-6 | GG6PED9U1M | A830712 | HMS1539J09 | MFCD00004189 | 2.2-Diphenyl propionic acid | InChI=1/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,1

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

n6-acetyllysine | 2,2-Diphenylpropanoic acid # | D1778 | Z1124125495 | EINECS 226-924-6 | GG6PED9U1M | A830712 | HMS1539J09 | MFCD00004189 | 2.2-Diphenyl propionic acid | InChI=1/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,1

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Pubchem Sid

504755400

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755400

Sourires canoniques

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O

IUPAC Name

2,2-diphenylpropanoic acid

InChIKey

ODELFXJUOVNEFZ-UHFFFAOYSA-N

INCHI

1S/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)

Isomères SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O

WGK Allemagne

3

Poids moléculaire

226.28

Beilstein

9(2)474

Reaxy-Rn

2051420

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051420&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 175 °C
• Poids moléculaire: 226.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• 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: 242.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). 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 5558-66-7, the molecular formula is C15H14O2, and the molecular weight is 226.28 g/mol. InChIKey ODELFXJUOVNEFZ-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.