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Home> Hot Product Listed B   > bpsa47
6294-71-9 structure

bpsa47

Iupac Name:3-amino-5,6-dimethylpyrazine-2-carboxylic acid
CAS No.:6294-71-9
Molecular Weight:167.168
Molecular Formula:C18H18N2O2S2 (isomer)
Names and Identifiers
Synonyms

AK502410 AKOS027440862 AX8275495 BG01520423 J-400977 methyl [2,3'-bipyridine]-6-carboxylate methyl 2,3'-bipyridine-6-carboxylate ZINC47217595

Inchi
InChI=1S/C7H9N3O2/c1-3-4(2)10-6(8)5(9-3)7(11)12/h1-2H3,(H2,8,10)(H,11,12)
InChkey
PSXTUQVQRMXQNR-UHFFFAOYSA-N
Canonical Smiles
CC1=NC(=C(N=C1C)N)C(=O)O
Properties
Refractive Index
1.619
Computational chemical data
  • Molecular Weight:167.168g/mol
  • Molecular Formula:C18H18N2O2S2
  • Compound Is Canonicalized:True
  • Exact Mass:167.069
  • Monoisotopic Mass:167.069
  • Complexity:186
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:12
  • 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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