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Home> Hot Product Listed C   > CHEMBL230335
1010898-45-9 structure

CHEMBL230335

Iupac Name:1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CAS No.:1010898-45-9
Molecular Weight:206.245
Molecular Formula:C8H6CLN5 (isomer)
Names and Identifiers
Synonyms

28769-74-6 6-ethyl-pyrrolo[3,4-b]pyrazine-5,7-dione SCHEMBL12601407

Inchi
InChI=1S/C11H14N2O2/c1-8-6-9(2)13(4-5-15-3)11(14)10(8)7-12/h6H,4-5H2,1-3H3
InChkey
YYZNFQFKQSIYTO-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=C(C(=O)N1CCOC)C#N)C
Computational chemical data
  • Molecular Weight:206.245g/mol
  • Molecular Formula:C8H6CLN5
  • Compound Is Canonicalized:True
  • Exact Mass:206.106
  • Monoisotopic Mass:206.106
  • Complexity:385
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:53.3A^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: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAAAAAADAjhgAYCAAMABACY BiVSUACgAAAgAgAACAEIAEgKgAAAAQAFAAAABgCYgQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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