4-Oxocyclohexanecarbaldehyde - ≥95% , CAS No.96184-81-5

CAS: 96184-81-5 Cat. No.: O196114 分子式: C₇H₁₀O₂ 分子量: 126.15 EC番号: 968-574-3

GRADE & PURITY ≥95%

Synonyms

Cyclohexanone-4-carbaldehyde | SFNKUFOBKQJUEB-UHFFFAOYSA-N | SCHEMBL87368 | C77323 | Cyclohexanone-4-carboxaldehyde | 4-formylcyclohexanone | 4-Oxo-cyclohexanecarboxaldehyde | AB21200 | EN300-198281 | Z1198165293 | AMY10974 | 4-oxocyclohexane-1-carbaldehy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

同義語

Cyclohexanone-4-carbaldehyde | SFNKUFOBKQJUEB-UHFFFAOYSA-N | SCHEMBL87368 | C77323 | Cyclohexanone-4-carboxaldehyde | 4-formylcyclohexanone | 4-Oxo-cyclohexanecarboxaldehyde | AB21200 | EN300-198281 | Z1198165293 | AMY10974 | 4-oxocyclohexane-1-carbaldehy

仕様と純度

≥95%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1CC(=O)CCC1C=O
• IUPAC Name: 4-oxocyclohexane-1-carbaldehyde
• InChIKey: SFNKUFOBKQJUEB-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2
• 異性体SMILES: C1CC(=O)CCC1C=O
• 分子量: 126.15
• Reaxy-Rn: 3233702
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3233702&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aldehyde - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic 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

化学的性質と物理的性質

• 感度: Air sensitive
• 分子量: 126.150 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 119.000
• 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