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Home> Encyclopedia > Hot Product Listed 2   > 2-Furancarboxylic acid,5-(2-phenylethynyl)-
924858-72-0 structure

2-Furancarboxylic acid,5-(2-phenylethynyl)-

Iupac Name:3-[4-(tetrazol-1-yl)phenyl]propanoic acid
CAS No.:924858-72-0
Molecular Weight:218.216
Molecular Formula:C10H15NO4 (isomer)
Properties
Density
1.128
Boiling Point
338.6 ºC at 760 mmHg
Flash Point
201.9 ºC
Computational chemical data
  • Molecular Weight:218.216g/mol
  • Molecular Formula:C10H15NO4
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.8
  • Exact Mass:218.08
  • Monoisotopic Mass:218.08
  • Complexity:241
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:80.9A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzsAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAICAAADAiBmAQ12IYIAgCq AiTTbACCBCMxgoAdiAEIZIiIIDLAmZGEYAhkgAJIyCeYyKCOCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
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