9-Acetylphenanthrene - ≥97% , CAS No.2039-77-2

CAS: 2039-77-2 Cat. No.: A468924 分子式: C₁₆H₁₂O 分子量: 220.27

グレード＆純度 ≥97%

Synonyms

NCGC00186320-01 | A814526 | MFCD00001176 | 1-(9-Phenanthryl)ethanone # | SCHEMBL50624 | 9-acetylphenanthren | 9-Acetyl-phenanthren | Ethanone, 1-(9-phenanthrenyl)- | Imidazole, 2,4-dinitro- | ACETANILIDE, 2'-ACETYL- | Methyl 9-phenanthryl ketone | 6U704SC

Storage

Room temperature

Shipped In

Normal

仕様

同義語

NCGC00186320-01 | A814526 | MFCD00001176 | 1-(9-Phenanthryl)ethanone # | SCHEMBL50624 | 9-acetylphenanthren | 9-Acetyl-phenanthren | Ethanone, 1-(9-phenanthrenyl)- | Imidazole, 2,4-dinitro- | ACETANILIDE, 2'-ACETYL- | Methyl 9-phenanthryl ketone | 6U704SC

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

カノニカル・スマイル

CC(=O)C1=CC2=CC=CC=C2C3=CC=CC=C31

IUPAC Name

1-phenanthren-9-ylethanone

InChIKey

UIFAWZBYTTXSOG-UHFFFAOYSA-N

INCHI

1S/C16H12O/c1-11(17)16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-10H,1H3

異性体SMILES

CC(=O)C1=CC2=CC=CC=C2C3=CC=CC=C31

WGKドイツ

3

分子量

220.27

Reaxy-Rn

1284116

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1284116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - Acetophenone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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

関連ターゲット（人間）

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 73-74 °C
• 分子量: 220.260 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.089 Da
• Monoisotopic Mass: 220.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 296.000
• 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

よくある質問

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 2039-77-2, the molecular formula is C16H12O, and the molecular weight is 220.27 g/mol. InChIKey UIFAWZBYTTXSOG-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.