p-Ethoxyethoxystyrene - ≥99.5%, metal impurities≤10ppb , CAS No.157057-20-0

CAS: 157057-20-0 Cat. No.: E1525302 Fórmula: C₁₂H₁₆O₂ Peso molecular: 192.26

GRADE & PURITY ≥99.5%, metal impurities≤10ppb

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Especificações e pureza

≥99.5%, metal impurities≤10ppb

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥99.5%

Nomes e identificadores

• Sorrisos canónicos: CCOC(C)OC1=CC=C(C=C1)C=C
• IUPAC Name: 1-ethenyl-4-(1-ethoxyethoxy)benzene
• InChIKey: DTNCNFLLRLHPNJ-UHFFFAOYSA-N
• INCHI: 1S/C12H16O2/c1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h4,6-10H,1,5H2,2-3H3
• SMILES isoméricas: CCOC(C)OC1=CC=C(C=C1)C=C
• Peso molecular: 192.26
• Reaxy-Rn: 18930889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18930889&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Styrenes Phenoxy compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Styrene - Phenol ether - Monocyclic benzene moiety - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Sensibilidade: Air Sensitive
• Índice de refração: 1.52
• Ponto de inflamação (°C): 109 °C
• Peso molecular: 192.250 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115 Da
• Monoisotopic Mass: 192.115 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 160.000
• 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