6-Hydroxy-chroman-4-one - ≥98% , CAS No.80096-64-6

CAS: 80096-64-6 Cat. No.: H195113 Fórmula: C₉H₈O₃ Peso molecular: 164.16

GRADE & PURITY ≥98%

Synonyms

2,3-dihydro-6-hydroxy benzopyran-4-one | 6-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one | AKOS006277993 | DTXSID70427765 | 6-HYDROXY-CHROMAN-4-ONE | 6-hydroxychroman-4-one | 6-hydroxy-4-chromanone | 4H-1-Benzopyran-4-one, 2,3-dihydro-6-hydroxy- | 6-hydroxy-2

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

2,3-dihydro-6-hydroxy benzopyran-4-one | 6-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one | AKOS006277993 | DTXSID70427765 | 6-HYDROXY-CHROMAN-4-ONE | 6-hydroxychroman-4-one | 6-hydroxy-4-chromanone | 4H-1-Benzopyran-4-one, 2,3-dihydro-6-hydroxy- | 6-hydroxy-2

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged,Desiccated

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

Sorrisos canónicos

C1COC2=C(C1=O)C=C(C=C2)O

IUPAC Name

6-hydroxy-2,3-dihydrochromen-4-one

InChIKey

HTKPIKIGEYFNBY-UHFFFAOYSA-N

INCHI

1S/C9H8O3/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,10H,3-4H2

SMILES isoméricas

C1COC2=C(C1=O)C=C(C=C2)O

Peso molecular

164.16

Reaxy-Rn

123771

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123771&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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: 164.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.047 Da
• Monoisotopic Mass: 164.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 190.000
• 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

Perguntas frequentes

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, 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 80096-64-6, the molecular formula is C9H8O3, and the molecular weight is 164.16 g/mol. InChIKey HTKPIKIGEYFNBY-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.