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Home> Hot Product Listed F   > F5882-5404
35209-54-2 structure

F5882-5404

Iupac Name:azanium;prop-2-enoate;styrene
CAS No.:35209-54-2
Molecular Weight:193.246
Molecular Formula:C20H18CLN5O4 (isomer)
Names and Identifiers
Synonyms

2-(1,3-dioxoisoindolin-2-yl)-n-((3-((4-methoxyphenoxy)methyl)-1,2,4-oxadiazol-5-yl)methyl)acetamide AKOS024526948 MCULE-2102132232 MOLPORT-009-748-094 VU0527589-1 ZINC49027415

Inchi
InChI=1S/C8H8.C3H4O2.H3N/c1-2-8-6-4-3-5-7-8;1-2-3(4)5;/h2-7H,1H2;2H,1H2,(H,4,5);1H3
InChkey
KKVDXUINSGVKCB-UHFFFAOYSA-N
Canonical Smiles
C=CC1=CC=CC=C1.C=CC(=O)[O-].[NH4+]
Computational chemical data
  • Molecular Weight:193.246g/mol
  • Molecular Formula:C20H18CLN5O4
  • Compound Is Canonicalized:True
  • Exact Mass:193.11
  • Monoisotopic Mass:193.11
  • Complexity:119
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.1A^2
  • Heavy Atom Count:14
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAQAAAADACAmAAwCIAAAACI AiDSCAACAAAgAAAIiAAAAMgIJCKAERCAIAAggAAIiIcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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