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Home> Encyclopedia > Hot Product Listed 6   > 6H-Benzocyclohepten-6-one,3,4,5-trihydroxy-
1313020-24-4 structure

6H-Benzocyclohepten-6-one,3,4,5-trihydroxy-

Iupac Name:propan-2-yl 4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
CAS No.:1313020-24-4
Molecular Weight:363.458g/mol
Molecular Formula:C10H9N3O2 (isomer)
Names and Identifiers
Computational chemical data
  • Molecular Weight:363.458g/molg/mol
  • Molecular Formula:C10H9N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:363.216
  • Monoisotopic Mass:363.216
  • Complexity:429
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:87.8A^2
  • Heavy Atom Count:26
  • 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: AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAACAAACBzhlwYz2LcMFgCo ASbybACCgC0hEqAJ2CE4dJiKeLLA2dGWJAhsgALYyCeYEQIAAACAAAQAACAAAQAACAAAQAAAAAAA AA==
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