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Home> Hot Product Listed A   > AKOS014320785
84029-50-5 structure

AKOS014320785

Iupac Name:2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetic acid
CAS No.:84029-50-5
Molecular Weight:255.29022
Molecular Formula:C17H17N5O2 (isomer)
Names and Identifiers
Synonyms

3-amino-6-(3-furyl)pyridazine 6-(furan-3-yl)pyridazin-3-amine BG00904411

Inchi
InChI=1/C11H13NO4S/c1-2-16-7-3-4-8(11(12)15)9(5-7)17-6-10(13)14/h3-5H,2,6H2,1H3,(H2,12,15)(H,13,14)
Canonical Smiles
CCOC1=CC(=C(C=C1)C(=O)N)SCC(=O)O
Properties
Refractive Index
1.611
Computational chemical data
  • Molecular Weight:255.29022g/mol
  • Molecular Formula:C17H17N5O2
  • Exact Mass:255.056529
  • Monoisotopic Mass:255.056529
  • Complexity:285
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:115
  • Heavy Atom Count:17
  • 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
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