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Home> Hot Product Listed A   > AO-548/40890783
51133-90-5 structure

AO-548/40890783

CAS No.:51133-90-5
Molecular Weight:116.15828
Molecular Formula:C17H18FN3O3 (isomer)
Names and Identifiers
Synonyms

(5-methyl-2-propan-2-ylphenyl) hexanoate 2-isopropyl-5-methylphenyl hexanoate AC1MO1YV MCULE-9404559008 MOLPORT-002-840-527 ZINC4666268

Inchi
InChI=1S/C6H12O2/c1-6(2)7-4-3-5-8-6/h3-5H2,1-2H3
Canonical Smiles
CC1(OCCCO1)C
Computational chemical data
  • Molecular Weight:116.15828g/mol
  • Molecular Formula:C17H18FN3O3
  • Exact Mass:116.08373
  • Monoisotopic Mass:116.08373
  • Complexity:70.6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5
  • Heavy Atom Count:8
  • 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
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