5′-Ethoxy-2′-hydroxyacetophenone - ≥97% , CAS No.56414-14-3

CAS: 56414-14-3 Cat. No.: E469368 Fórmula: C₁₀H₁₂O₃ Peso molecular: 180.2 Número CE: 624-107-2

GRAU & PUREZA ≥97%

Synonyms

5'-ETHOXY-2'-HYDROXYACETOPHENONE 97 | 1-(5-ethoxy-2-hydroxyphenyl)ethanone | DTXSID30480492 | AKOS000295784 | 5'-Ethoxy-2'-hydroxyacetophenone | 5'-Ethoxy-2'-hydroxyacetophenone, 97% | MFCD05664258 | SCHEMBL3652542

Storage

Room temperature

Especificações

Sinónimos

5'-ETHOXY-2'-HYDROXYACETOPHENONE 97 | 1-(5-ethoxy-2-hydroxyphenyl)ethanone | DTXSID30480492 | AKOS000295784 | 5'-Ethoxy-2'-hydroxyacetophenone | 5'-Ethoxy-2'-hydroxyacetophenone, 97% | MFCD05664258 | SCHEMBL3652542

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CCOC1=CC(=C(C=C1)O)C(=O)C

IUPAC Name

1-(5-ethoxy-2-hydroxyphenyl)ethanone

InChIKey

ONGGIUWOMYNJFI-UHFFFAOYSA-N

INCHI

1S/C10H12O3/c1-3-13-8-4-5-10(12)9(6-8)7(2)11/h4-6,12H,3H2,1-2H3

SMILES isoméricas

CCOC1=CC(=C(C=C1)O)C(=O)C

Peso molecular

180.2

Reaxy-Rn

3251068

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3251068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones 4-alkoxyphenols Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - 4-alkoxyphenol - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ether - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Propriedades químicas e físicas

• Peso molecular: 180.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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