8-Hydroxycoumarin - ≥98% , CAS No.2442-31-1

CAS: 2442-31-1 Cat. No.: H651060 Fórmula: C₉H₆O₃ Peso molecular: 162.14 PubChem CID: 122783

GRADE & PURITY ≥98%

Synonyms

8-Hydroxy Coumarin | UNII-854P936B10 | 854P936B10 | 8-Hydroxy-2H-chromen-2-one # | CAA44231 | 8-Hydroxy-2H-1-benzopyran-2-one | MFCD18450722 | HY-21509 | DPTUTXWBBUARQB-UHFFFAOYSA-N | A929390 | 2H-1-Benzopyran-2-one, 8-hydroxy- | 8CM | AKOS022636326 | F19

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

8-Hydroxycoumarin is an intermediate in the microbial transformation of quinolone.

Form:Solid

Specifications

Sinónimos

8-Hydroxy Coumarin | UNII-854P936B10 | 854P936B10 | 8-Hydroxy-2H-chromen-2-one # | CAA44231 | 8-Hydroxy-2H-1-benzopyran-2-one | MFCD18450722 | HY-21509 | DPTUTXWBBUARQB-UHFFFAOYSA-N | A929390 | 2H-1-Benzopyran-2-one, 8-hydroxy- | 8CM | AKOS022636326 | F19

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Desiccated

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: C1=CC2=C(C(=C1)O)OC(=O)C=C2
• IUPAC Name: 8-hydroxychromen-2-one
• InChIKey: DPTUTXWBBUARQB-UHFFFAOYSA-N
• INCHI: 1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H
• Isómeros SMILES: C1=CC2=C(C(=C1)O)OC(=O)C=C2
• CAS alternativo: 2442-31-1
• PubChem CID: 122783
• Términos de entrada MeSH: 8-hydroxycoumarin
• Peso molecular: 162.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycoumarins
• Alternative Parents: 1-benzopyrans Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.
• 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 (no humanos)

Rattus norvegicus (775804 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 50 mg/mL (308.38 mM; Need ultrasonic)
• Peso molecular: 162.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.032 Da
• Monoisotopic Mass: 162.032 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 222.000
• 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, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 2442-31-1, the molecular formula is C9H6O3, and the molecular weight is 162.14 g/mol. InChIKey DPTUTXWBBUARQB-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.