α-Cyclohexylphenylacetic Acid - ≥95% , CAS No.3894-09-5

CAS: 3894-09-5 Cat. No.: A151371 Peso molecular: 218.3 Número EC: 223-443-3

GRADE & PURITY ≥95%

Synonyms

Cyclohexylphenylacetic acid | cyclohexyl-phenylacetic acid | cyclohexyl-phenyl-acetic acid | EINECS 223-443-3 | alpha-Cyclohexylphenylacetic acid | C2812 | SCHEMBL67219 | 2-cyclohexyl-2-phenylaceticacid | AKOS022220971 | alpha-Phenylcyclohexylacetic acid

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Cyclohexylphenylacetic acid | cyclohexyl-phenylacetic acid | cyclohexyl-phenyl-acetic acid | EINECS 223-443-3 | alpha-Cyclohexylphenylacetic acid | C2812 | SCHEMBL67219 | 2-cyclohexyl-2-phenylaceticacid | AKOS022220971 | alpha-Phenylcyclohexylacetic acid

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488187090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187090
• Sonrisas canónicas: C1CCC(CC1)C(C2=CC=CC=C2)C(=O)O
• IUPAC Name: 2-cyclohexyl-2-phenylacetic acid
• InChIKey: AAJLPPDFIRPBDA-UHFFFAOYSA-N
• INCHI: 1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)
• Isómeros SMILES: C1CCC(CC1)C(C2=CC=CC=C2)C(=O)O
• Peso molecular: 218.3
• Reaxy-Rn: 2618956
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2618956&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 152 °C
• Peso molecular: 218.290 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.131 Da
• Monoisotopic Mass: 218.131 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• 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