4-Methoxycyclohexanone - ≥97% , CAS No.13482-23-0

CAS: 13482-23-0 Cat. No.: M587028 Formule: C₇H₁₂O₂ Poids moléculaire: 128.17 Numéro CE: 619-588-0

QUALITÉ & PURETÉ ≥97%

Synonyms

DTXSID90336623 | p-methoxycyclohexanone | AMY3589 | A21968 | Cyclohexanone, 4-methoxy- | FT-0692527 | SCHEMBL473531 | STL555977 | 4-methoxycyclohexan-1-one | MFCD01110115 | PB40355 | EN300-59069 | 4-Methoxycyclohexanone | 4-METHOXY-CYCLOHEXANONE | AKOS004

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Spécifications

Synonymes

DTXSID90336623 | p-methoxycyclohexanone | AMY3589 | A21968 | Cyclohexanone, 4-methoxy- | FT-0692527 | SCHEMBL473531 | STL555977 | 4-methoxycyclohexan-1-one | MFCD01110115 | PB40355 | EN300-59069 | 4-Methoxycyclohexanone | 4-METHOXY-CYCLOHEXANONE | AKOS004

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

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

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508813273

Sourires canoniques

COC1CCC(=O)CC1

IUPAC Name

4-methoxycyclohexan-1-one

InChIKey

XADCKKKOYZJNAR-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-9-7-4-2-6(8)3-5-7/h7H,2-5H2,1H3

Isomères SMILES

COC1CCC(=O)CC1

CAS alternatif

13482-23-0

Termes d'entrée MeSH

4-methoxycyclohexanone

Poids moléculaire

128.17

Reaxy-Rn

1561039

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1561039&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: Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Ether - Dialkyl ether - Organic oxide - Hydrocarbon derivative - 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

• Poids moléculaire: 128.169 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.500
• 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