2'-Hydroxy-4',5'-dimethoxyacetophenone - ≥98% , CAS No.20628-06-2

CAS: 20628-06-2 Cat. No.: H156893 Fórmula: C₁₀H₁₂O₄ Peso molecular: 196.20 Beilstein Registry Number: 8(4)2726 Número EC: 626-316-4

GRADE & PURITY ≥98%

Synonyms

1-(2-Hydroxy-4,5-dimethoxyphenyl)ethan-1-one | 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone | 1-(2-hydroxy-4,5-dimethoxy-phenyl)ethanone | 1-(2-Hydroxy-4,5-dimethoxy-phenyl)-ethanone | T72056 | A814755 | AKOS001745587 | J-013478 | InChI=1/C10H12O4/c1-6(11)7-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1-(2-Hydroxy-4,5-dimethoxyphenyl)ethan-1-one | 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone | 1-(2-hydroxy-4,5-dimethoxy-phenyl)ethanone | 1-(2-Hydroxy-4,5-dimethoxy-phenyl)-ethanone | T72056 | A814755 | AKOS001745587 | J-013478 | InChI=1/C10H12O4/c1-6(11)7-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)C1=CC(=C(C=C1O)OC)OC
• IUPAC Name: 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone
• InChIKey: KEQHBVWVKYHDCS-UHFFFAOYSA-N
• INCHI: 1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3
• Isómeros SMILES: CC(=O)C1=CC(=C(C=C1O)OC)OC
• WGK Alemania: 3
• Peso molecular: 196.20
• Beilstein: 8(4)2726
• Reaxy-Rn: 1344236
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1344236&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Methoxyphenols Dimethoxybenzenes Acetophenones 4-alkoxyphenols Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Methoxyphenol - Dimethoxybenzene - O-dimethoxybenzene - Acetophenone - 4-alkoxyphenol - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

HTT Tchem Huntingtin (19182 Activities)

Discover Target: HTT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Acinetobacter baumannii (41033 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 110-114℃
• Peso molecular: 196.200 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 204.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 20628-06-2, the molecular formula is C10H12O4, and the molecular weight is 196.20 g/mol. InChIKey KEQHBVWVKYHDCS-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.