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Home> Encyclopedia > Hot Product Listed 6   > 6-Octen-2-one, (6Z)-
957002-67-4 structure

6-Octen-2-one, (6Z)-

Iupac Name:7-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CAS No.:957002-67-4
Molecular Weight:400.87
Molecular Formula:C12H17NO2 (isomer)
Names and Identifiers
Synonyms

(Z)-6-Octen-2-one 35194-31-1 6-Octen-2-one 6-Octen-2-one,(Z)- 74810-53-0 CTK1B7143 CTK2H6406 FPXPWFLCGOFSTQ-UHFFFAOYSA-N oct-2-en-7-one

Inchi
InChI=1S/C22H17ClN6/c1-14-11-15(2)28(27-14)20-13-25-22-18(19-5-3-4-10-24-19)12-26-29(22)21(20)16-6-8-17(23)9-7-16/h3-13H,1-2H3
InChkey
SXOAWDCLOWWLBS-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=NN1C2=C(N3C(=C(C=N3)C4=CC=CC=N4)N=C2)C5=CC=C(C=C5)Cl)C
Computational chemical data
  • Molecular Weight:400.87g/mol
  • Molecular Formula:C12H17NO2
  • Compound Is Canonicalized:True
  • Exact Mass:400.12
  • Monoisotopic Mass:400.12
  • Complexity:555
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:29
  • 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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