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Home> Encyclopedia > Hot Product Listed O   > ONVGJIKVRHRZHI-UHFFFAOYSA-N
1224640-12-3 structure

ONVGJIKVRHRZHI-UHFFFAOYSA-N

Iupac Name:4-cyclopropyl-1H-quinoxaline-2,3-dione
CAS No.:1224640-12-3
Molecular Weight:202.213
Molecular Formula:C11H10N2O2 (isomer)
Names and Identifiers
Synonyms

1-cyclopropyl-1,4-dihydro-quinoxaline-2,3-dione 1-cyclopropylquinoxaline-2,3(1H,4H)-dione 2,3-quinoxalinedione,1-cyclopropyl-1,4-dihydro- 3-chloro-1-cyclopropylquinoxalin-2(1H)-one ALBB-031770 SCHEMBL2217118 SCHEMBL2228228

Inchi
InChI=1S/C11H10N2O2/c14-10-11(15)13(7-5-6-7)9-4-2-1-3-8(9)12-10/h1-4,7H,5-6H2,(H,12,14)
InChkey
ONVGJIKVRHRZHI-UHFFFAOYSA-N
Canonical Smiles
C1CC1N2C3=CC=CC=C3NC(=O)C2=O
Computational chemical data
  • Molecular Weight:202.213g/mol
  • Molecular Formula:C11H10N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:202.074
  • Monoisotopic Mass:202.074
  • Complexity:312
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:49.4A^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: AAADccBzMAAAAAAAAAAAAAAAGAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQAAAACCjBkAQwwIPAAACI ACVSUACCAAAhAgAIiACIdIgIYCLAkbGUIAhglgDIyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
 
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