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Home> Hot Product Listed P   > Pyridine,2-(ethoxymethyl)-3-(phenylmethoxy)-4,5-bis[(phenylmethoxy)methyl]-,hydrochloride
2166-33-8 structure

Pyridine,2-(ethoxymethyl)-3-(phenylmethoxy)-4,5-bis[(phenylmethoxy)methyl]-,hydrochloride

Iupac Name:3-(4-methoxyphenyl)-1H-pyridazin-6-one
CAS No.:2166-33-8
Molecular Weight:202.213
Molecular Formula:C8H17NSI (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C11H10N2O2/c1-15-9-4-2-8(3-5-9)10-6-7-11(14)13-12-10/h2-7H,1H3,(H,13,14)
InChkey
HEKMSRLHSLEVMF-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)C2=NNC(=O)C=C2
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:202.213g/mol
  • Molecular Formula:C8H17NSI
  • Compound Is Canonicalized:True
  • Exact Mass:202.074
  • Monoisotopic Mass:202.074
  • Complexity:302
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.7A^2
  • Heavy Atom Count:15
  • 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: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAYAAAADAyBmAIyBoBiBACo AyFyEACSCAAgIAAaiAA2CNgMJqKEMRqAMCAk2BEIqYeAwIAOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
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  • Tel:(416) 665-9696, 800-727-9240
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