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Home> Hot Product Listed Z   > ZINC20222866
93842-88-7 structure

ZINC20222866

CAS No.:93842-88-7
Molecular Weight:325.42158
Molecular Formula:C7H17NO2 (isomer)
Names and Identifiers
Synonyms

2-(4-(tert-butyl)phenyl)benzo[d]oxazole-5-carboxylic acid AK522324 AKOS025134210 SCHEMBL11566111

Inchi
InChI=1/C12H23NO2.CH4O4S/c1-6-11(7-2)13-8-10(5)15-12(14)9(3)4;1-5-6(2,3)4/h10-11,13H,3,6-8H2,1-2,4-5H3;1H3,(H,2,3,4)
Computational chemical data
  • Molecular Weight:325.42158g/mol
  • Molecular Formula:C7H17NO2
  • Exact Mass:325.155908
  • Monoisotopic Mass:325.155908
  • Complexity:300
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:118
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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