3'，4'，5'-Trifluoroacetophenone - ≥97% , CAS No.141-73-1

CAS: 141-73-1 Cat. No.: T694645 分子式: C₇H₁₆O₂ 分子量: 132.2 EC番号: 681-073-1 PubChem CID: 78955

グレード＆純度 ≥97%

Storage

Room temperature

仕様

仕様と純度

≥97%

保管条件

Room temperature

純度

≥97%

製品の性質

ALogP

0.8

名前と識別子

カノニカル・スマイル

CC(CC(C)(C)OC)O

IUPAC Name

4-methoxy-4-methylpentan-2-ol

InChIKey

OMSLSFZIEVFEIH-UHFFFAOYSA-N

INCHI

1S/C7H16O2/c1-6(8)5-7(2,3)9-4/h6,8H,5H2,1-4H3

異性体SMILES

CC(CC(C)(C)OC)O

PubChem CID

78955

分子量

132.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Ether - Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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: 132.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 132.115 Da
• Monoisotopic Mass: 132.115 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 79.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1