2′-Hydroxy-3′-methoxyacetophenone - ≥98% , CAS No.703-98-0

CAS: 703-98-0 Cat. No.: H336674 Fórmula: C₉H₁₀O₃ Peso molecular: 166.17 Número CE: 836-310-5

GRADE & PURITY ≥98%

Synonyms

AKOS016005704 | Ethanone, 1-(2-hydroxy-3-methoxyphenyl)- | 2 inverted exclamation mark -Hydroxy-3 inverted exclamation mark -methoxyacetophenone | EN300-180319 | Acetylguajacol | SCHEMBL312140 | 2'-Hydroxy-3'-methoxyacetophenone | FT-0647251 | Varuby | (-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS016005704 | Ethanone, 1-(2-hydroxy-3-methoxyphenyl)- | 2 inverted exclamation mark -Hydroxy-3 inverted exclamation mark -methoxyacetophenone | EN300-180319 | Acetylguajacol | SCHEMBL312140 | 2'-Hydroxy-3'-methoxyacetophenone | FT-0647251 | Varuby | (-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528755017
• Sorrisos canónicos: CC(=O)C1=C(C(=CC=C1)OC)O
• IUPAC Name: 1-(2-hydroxy-3-methoxyphenyl)ethanone
• InChIKey: VZEOJJIAYZCDPI-UHFFFAOYSA-N
• INCHI: 1S/C9H10O3/c1-6(10)7-4-3-5-8(12-2)9(7)11/h3-5,11H,1-2H3
• SMILES isoméricas: CC(=O)C1=C(C(=CC=C1)OC)O
• Peso molecular: 166.17
• Reaxy-Rn: 2614015
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614015&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: Methoxyphenols Acetophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Methoxyphenol - Acetophenone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 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: 166.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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