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Home> Hot Product Listed 4   > 4-Methoxy-3-heptene
939986-59-1 structure

4-Methoxy-3-heptene

Iupac Name:tert-butyl 3-(6-chloropyridazin-3-yl)oxypiperidine-1-carboxylate
CAS No.:939986-59-1
Molecular Weight:313.782
Molecular Formula:C22H30P2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C14H20ClN3O3/c1-14(2,3)21-13(19)18-8-4-5-10(9-18)20-12-7-6-11(15)16-17-12/h6-7,10H,4-5,8-9H2,1-3H3
InChkey
YXVVMJBMQSWDIC-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCCC(C1)OC2=NN=C(C=C2)Cl
Computational chemical data
  • Molecular Weight:313.782g/mol
  • Molecular Formula:C22H30P2
  • Compound Is Canonicalized:True
  • Exact Mass:313.119
  • Monoisotopic Mass:313.119
  • Complexity:362
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:64.6A^2
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHgIIAAAADFbhkiYyjJMABACq ACBiWACSDAAgJwAYmCA+bpgOJoIFoosPmCDEThGQYAAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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