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

CAS: 13482-23-0 Cat. No.: M587028 分子式: C₇H₁₂O₂ 分子量: 128.17 EC番号: 619-588-0

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥97%

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

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

≥97%

名前と識別子

パブケム・シド

508813273

カノニカル・スマイル

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

異性体SMILES

COC1CCC(=O)CC1

代替CAS番号

13482-23-0

MeSH用語

4-methoxycyclohexanone

分子量

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
    • 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: Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Ether - Dialkyl ether - Organic oxide - Hydrocarbon derivative - 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

• 分子量: 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