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Home> Encyclopedia > Hot Product Listed A   > AK320100
1427325-54-9 structure

AK320100

Iupac Name:(3Z)-1-butyl-3-[hydroxy(naphthalen-1-yl)methylidene]indol-2-one
CAS No.:1427325-54-9
Molecular Weight:343.426g/mol
Molecular Formula:C23H21NO2 (isomer)
Names and Identifiers
Synonyms

(1-butyl-2-hydroxy-1h-indol-3-yl)(naphthalen-1-yl)methanone AKOS027325655 HLQUZHWENOKGOT-UHFFFAOYSA-N JWH 073 2-hydroxyindole metabolite

Inchi
InChI=1S/C23H21NO2/c1-2-3-15-24-20-14-7-6-12-19(20)21(23(24)26)22(25)18-13-8-10-16-9-4-5-11-17(16)18/h4-14,25H,2-3,15H2,1H3/b22-21-
InChkey
RRMUAHDUCWLRAW-DQRAZIAOSA-N
Canonical Smiles
CCCCN1C2=CC=CC=C2C(=C(C3=CC=CC4=CC=CC=C43)O)C1=O
Computational chemical data
  • Molecular Weight:343.426g/molg/mol
  • Molecular Formula:C23H21NO2
  • Compound Is Canonicalized:True
  • Exact Mass:343.157
  • Monoisotopic Mass:343.157
  • Complexity:554
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjBVAAAHgAACAAADAzBmAQywMMAAgCI AiVSUACCAAAhIgAIiAEIbMgIJjLAlZGEcAhkxgHI2QecyOCOgAACAAASAAAAAAQAACQAAAAAAAAA AA==
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