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Home> Hot Product Listed S   > STOCK6S-95996
118739-51-8 structure

STOCK6S-95996

Iupac Name:5-nitrofuran-3-carboxamide
CAS No.:118739-51-8
Molecular Weight:156.097
Molecular Formula:C13H16N2O2S (isomer)
Names and Identifiers
Synonyms

4-[3-(2-phenyl-1h-indol-1-yl)propanoyl]piperazin-2-one 4-[3-(2-phenylindol-1-yl)propanoyl]piperazin-2-one AB01303804-01 AKOS005663427 BG00679389 MCULE-7955060185 MOLPORT-008-336-242 STK933436 ZINC40267117

Inchi
InChI=1S/C5H4N2O4/c6-5(8)3-1-4(7(9)10)11-2-3/h1-2H,(H2,6,8)
InChkey
GVIXBLJYKVYGJN-UHFFFAOYSA-N
Canonical Smiles
C1=C(OC=C1C(=O)N)[N+](=O)[O-]
Computational chemical data
  • Molecular Weight:156.097g/mol
  • Molecular Formula:C13H16N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:156.017
  • Monoisotopic Mass:156.017
  • Complexity:187
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:102A^2
  • Heavy Atom Count:11
  • 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: AAADcYBjOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAHgAUAAAADAChmAIwhIBQRECJ AilS0wCCCAAsIgAgiAEGbMoMJhwMpYsKGWDGYBEAYYAnAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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