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Home> Hot Product Listed B   > Benzene, 1-(3,3-dimethoxy-1-propenyl)-2-methoxy-
117049-70-4 structure

Benzene, 1-(3,3-dimethoxy-1-propenyl)-2-methoxy-

CAS No.:117049-70-4
Molecular Weight:357.34274
Molecular Formula:C16H36P.C4BO8 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C13H24N4OS.2ClH/c14-13(15)19-11(9-16-6-2-1-3-7-16)10-17-8-4-5-12(17)18;;/h11H,1-10H2,(H3,14,15);2*1H
Canonical Smiles
C1CCN(CC1)CC(CN2CCCC2=O)SC(=N)N.Cl.Cl
Computational chemical data
  • Molecular Weight:357.34274g/mol
  • Molecular Formula:C16H36P.C4BO8
  • Exact Mass:356.120438
  • Monoisotopic Mass:356.120438
  • Complexity:331
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:98.7
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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