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

CAS: 96184-81-5 Cat. No.: O196114 Fórmula: C₇H₁₀O₂ Peso molecular: 126.15 Número CE: 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

Sinónimos

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: C1CC(=O)CCC1C=O
• Peso molecular: 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air sensitive
• Peso molecular: 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