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Home> Hot Product Listed T   > T6547785
65035-34-9 structure

T6547785

CAS No.:65035-34-9
Molecular Weight:168.236
Molecular Formula:C17H24N4O4 (isomer)
Names and Identifiers
Synonyms

MCULE-7978530717 MOLPORT-009-524-972 n-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-phenyl-1,2,3,6-tetrahydropyridine-1-carboxamide Z183353070

Inchi
InChI=1S/C10H16O2/c1-9(2)8-6-4-10(8,3)5-7(11-6)12-9/h6-8H,4-5H2,1-3H3/t6-,7-,8+,10-/m1/s1
InChkey
SHTFZHTWSLHVEB-BDNRQGISSA-N
Canonical Smiles
CC1(C2C3CC2(CC(O3)O1)C)C
Properties
Refractive Index
1.492
Computational chemical data
  • Molecular Weight:168.236g/mol
  • Molecular Formula:C17H24N4O4
  • Compound Is Canonicalized:True
  • Exact Mass:168.115
  • Monoisotopic Mass:168.115
  • Complexity:236
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:4
  • 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: AAADceBwMAAAAAAAAAAAAAAAAABgAAAAAAAkSJEgAAAAAAAAAAAAGgAAAAAAD1SwgAMCCAAABAAA AAAAAAAAAAAAAAAAAAAAAAAQAAIAAAAiAAAFAAAEAAGA4PwPgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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