3,3',5,5'-Tetramethoxy-p-biphenoquinone - ≥95% , CAS No.493-74-3

CAS: 493-74-3 Cat. No.: C346593 Peso molecular: 304.29 Número EC: 623-006-0

GRADE & PURITY ≥95%

Synonyms

TMPQ | SCHEMBL197028 | 2,5-Cyclohexadien-1-one, 4-(3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-ylidene)-2,6-dimethoxy- | DTXSID00197762 | FT-0632225 | 752TWO2IP0 | Coerulignone | CHEBI:55496 | 3,3',5,5'-Tetramethoxydiphenoquinone | Q27124326 | (BI-2,5-CYCLOHE

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

TMPQ | SCHEMBL197028 | 2, 5-Cyclohexadien-1-one, 4-(3, 5-dimethoxy-4-oxo-2, 5-cyclohexadien-1-ylidene)-2, 6-dimethoxy- | DTXSID00197762 | FT-0632225 | 752TWO2IP0 | Coerulignone | CHEBI:55496 | 3, 3', 5, 5'-Tetramethoxydiphenoquinone | Q27124326 | (BI-2, 5-CYCLOHE

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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: 504757066
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757066
• Sonrisas canónicas: COC1=CC(=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC
• IUPAC Name: 4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-one
• InChIKey: WASNBVDBYSQBPH-UHFFFAOYSA-N
• INCHI: 1S/C16H16O6/c1-19-11-5-9(6-12(20-2)15(11)17)10-7-13(21-3)16(18)14(8-10)22-4/h5-8H,1-4H3
• Isómeros SMILES: COC1=CC(=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC
• Peso molecular: 304.29
• Reaxy-Rn: 1890068
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1890068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Quinomethanes
              • Level8 P-quinomethanes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones - Quinomethanes
• Direct Parent: P-quinomethanes
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-quinomethane - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
• External Descriptors: cyclic ketone

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

• Sensibilidad: Light sensitive
• Peso molecular: 304.290 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 304.095 Da
• Monoisotopic Mass: 304.095 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 563.000
• 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