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Home> Hot Product Listed I   > I14-5087
7329-52-4 structure

I14-5087

Iupac Name:2,3,4,5-tetradeuterio-6-methoxyphenol
CAS No.:7329-52-4
Molecular Weight:128.163
Molecular Formula:C12H6F3NO (isomer)
Names and Identifiers
Computational chemical data
  • Molecular Weight:128.163g/mol
  • Molecular Formula:C12H6F3NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.3
  • Exact Mass:128.078
  • Monoisotopic Mass:128.078
  • Complexity:83
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:4
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAACASAkAIyBoAABgCA ACBCAAACCAAgIAAIiAAGiIgNJiKGMRqAcCMkwBELuAeAQAAAAAAAAAAAQAAAAAAAAACAAAAAAAAA AA==
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