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

CAS: 96184-81-5 Cat. No.: O196114 Formule: C₇H₁₀O₂ Poids moléculaire: 126.15 Numéro 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: C1CC(=O)CCC1C=O
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Poids moléculaire: 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