7-Hydroxychroman-4-one - ≥97% , CAS No.76240-27-2

CAS: 76240-27-2 Cat. No.: H194950 Fórmula: C₉H₈O₃ Peso molecular: 164.16 Número EC: 821-143-2

GRADE & PURITY ≥97%

Synonyms

7-hydroxy-2,3-dihydro-4H-chromen-4-one | 2,3-DIHYDRO-7-HYDROXY-4H-1-BENZOPYRAN-4-ONE | XJWBVGDAFGVJEG-UHFFFAOYSA-N | 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy- | 7-hydroxy-4-chromanone | 7-hydroxy-chroman-4-one | 7-hydroxychroman-4-one | AM9442 | SCHEM

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

7-hydroxy-2,3-dihydro-4H-chromen-4-one | 2,3-DIHYDRO-7-HYDROXY-4H-1-BENZOPYRAN-4-ONE | XJWBVGDAFGVJEG-UHFFFAOYSA-N | 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy- | 7-hydroxy-4-chromanone | 7-hydroxy-chroman-4-one | 7-hydroxychroman-4-one | AM9442 | SCHEM

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488196858
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196858
• Sonrisas canónicas: C1COC2=C(C1=O)C=CC(=C2)O
• IUPAC Name: 7-hydroxy-2,3-dihydrochromen-4-one
• InChIKey: XJWBVGDAFGVJEG-UHFFFAOYSA-N
• INCHI: 1S/C9H8O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,10H,3-4H2
• Isómeros SMILES: C1COC2=C(C1=O)C=CC(=C2)O
• Peso molecular: 164.16
• Reaxy-Rn: 124511
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124511&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

Mecanismos de acción

Propiedades químicas y 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 76240-27-2, the molecular formula is C9H8O3, and the molecular weight is 164.16 g/mol. InChIKey XJWBVGDAFGVJEG-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.