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Home> Encyclopedia > Hot Product Listed 5   > 5,8-Ethano-1H-cyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione,hexahydro-
391267-02-0 structure

5,8-Ethano-1H-cyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione,hexahydro-

Iupac Name:[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CAS No.:391267-02-0
EINECS(EC#): 275-139-5
Molecular Weight:356.422
Molecular Formula:C29H30N2O11 (isomer)
Names and Identifiers
Synonyms

7,8-Diazatricyclo[4.2.2.02,5]decane-7,8-dicarboximide(8CI)

Inchi
InChI=1S/C20H24N2O4/c1-4-14(3)15-8-10-16(11-9-15)22-18(23)13-26-20(24)17-7-6-12-21-19(17)25-5-2/h6-12,14H,4-5,13H2,1-3H3,(H,22,23)
InChkey
UUTHOJNQFFHRKA-UHFFFAOYSA-N
Canonical Smiles
CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)OCC
Properties
Density
1.76
Boiling Point
384.8°Cat760mmHg
Flash Point
371.6°C
Computational chemical data
  • Molecular Weight:356.422g/mol
  • Molecular Formula:C29H30N2O11
  • Compound Is Canonicalized:True
  • Exact Mass:356.174
  • Monoisotopic Mass:356.174
  • Complexity:449
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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