Desoxyanisoin - ≥98% , CAS No.120-44-5

CAS: 120-44-5 Cat. No.: D166478 Fórmula: C₁₆H₁₆O₃ Peso molecular: 256.3

GRADE & PURITY ≥98%

Synonyms

NSC26660 | NSC-26660 | SR-01000388834-1 | T89TFW8HSV | 1,2 bis-(4-methoxy-phenyl)-ethanone | AI3-25259 | Ethanone, 1,2-bis(4-methoxyphenyl)- | FT-0624507 | Desoxyanisoin | MFCD00008406 | p-Methoxybenzyl p-methoxyphenyl ketone | A804508 | 4,4'-Dimethoxydeo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC26660 | NSC-26660 | SR-01000388834-1 | T89TFW8HSV | 1,2 bis-(4-methoxy-phenyl)-ethanone | AI3-25259 | Ethanone, 1,2-bis(4-methoxyphenyl)- | FT-0624507 | Desoxyanisoin | MFCD00008406 | p-Methoxybenzyl p-methoxyphenyl ketone | A804508 | 4,4'-Dimethoxydeo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488183898

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183898

Sonrisas canónicas

COC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OC

IUPAC Name

1,2-bis(4-methoxyphenyl)ethanone

InChIKey

SICBLYCPRWNHHP-UHFFFAOYSA-N

INCHI

1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3

Isómeros SMILES

COC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OC

WGK Alemania

3

Peso molecular

256.3

Reaxy-Rn

1536594

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1536594&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Sparingly soluble in water.
• Punto de fusión (°C): 109-113°C
• Peso molecular: 256.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.11 Da
• Monoisotopic Mass: 256.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 274.000
• 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 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 120-44-5, the molecular formula is C16H16O3, and the molecular weight is 256.3 g/mol. InChIKey SICBLYCPRWNHHP-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.