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Home> Hot Product Listed M   > MOLPORT-019-669-339
33548-33-3 structure

MOLPORT-019-669-339

Iupac Name:6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid
CAS No.:33548-33-3
Molecular Weight:218.212
Molecular Formula:C24H26N2O5S (isomer)
Names and Identifiers
Synonyms

MCULE-3376081558 n-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-n-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide Z850147548

Inchi
InChI=1S/C11H10N2O3/c14-10-7-6-9(11(15)16)12-13(10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChkey
YVKMCSMHVJNAAM-UHFFFAOYSA-N
Canonical Smiles
C1CC(=O)N(N=C1C(=O)O)C2=CC=CC=C2
Properties
Refractive Index
1.64
Computational chemical data
  • Molecular Weight:218.212g/mol
  • Molecular Formula:C24H26N2O5S
  • Compound Is Canonicalized:True
  • Exact Mass:218.069
  • Monoisotopic Mass:218.069
  • Complexity:332
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:70A^2
  • Heavy Atom Count:16
  • 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: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAICAAACAiBkAAwyIIAAgCo ASXyWASSBAAhAgAaiAEwZIgIIDLAkZGEYAhkjADIyAeYFwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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