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Home> Hot Product Listed T   > T6629594
683239-16-9 structure

T6629594

Iupac Name:20-[(2-methylpropan-2-yl)oxy]-20-oxoicosanoic acid
CAS No.:683239-16-9
Molecular Weight:398.628
Molecular Formula:C12H12F2N4O (isomer)
Names and Identifiers
Synonyms

MCULE-1145262675 MOLPORT-009-054-897 n-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-5-(piperidine-1-sulfonyl)furan-2-carboxamide Z421550874 ZINC48275712

Inchi
InChI=1S/C24H46O4/c1-24(2,3)28-23(27)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(25)26/h4-21H2,1-3H3,(H,25,26)
InChkey
JUCDAUSILDWYOA-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
Computational chemical data
  • Molecular Weight:398.628g/mol
  • Molecular Formula:C12H12F2N4O
  • Compound Is Canonicalized:True
  • Exact Mass:398.34
  • Monoisotopic Mass:398.34
  • Complexity:385
  • Rotatable Bond Count:21
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.6A^2
  • Heavy Atom Count:28
  • 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: AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAACCAAABgAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAACQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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