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Home> Encyclopedia > Hot Product Listed 6   > 6-Hepten-2-one,3-methoxy-
1160502-23-7 structure

6-Hepten-2-one,3-methoxy-

Iupac Name:3-chloro-4-iodo-2H-pyrazolo[3,4-b]pyridine
CAS No.:1160502-23-7
Molecular Weight:279.465
Molecular Formula:C8H11N5O (isomer)
Names and Identifiers
Synonyms

3-methoxyhept-6-en-2-one 6-hepten-2-one, 3-methoxy- (9ci) LP052472 SCHEMBL13764173

Inchi
InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-2-9-6(4)11-10-5/h1-2H,(H,9,10,11)
InChkey
PLKQAUAUJNVJFU-UHFFFAOYSA-N
Canonical Smiles
C1=C(C2=C(NN=C2N=C1)Cl)I
Isomers Smiles
C1=C(C2=C(NN=C2N=C1)Cl)I
Computational chemical data
  • Molecular Weight:279.465g/mol
  • Molecular Formula:C8H11N5O
  • Compound Is Canonicalized:True
  • Exact Mass:278.906
  • Monoisotopic Mass:278.906
  • Complexity:157
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.6A^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: AAADcQBjAAAEAgAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAI4AAAADALDGyQ9sN5rEACi AjJnZACShCsxBqAd+SA4ZpiIKGLB2tGEpAhgiALIyCYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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