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Home> Hot Product Listed N   > N-96%
57784-96-0 structure

N-96%

Iupac Name:2-amino-2-(4-formyl-3-hydroxyphenyl)acetic acid
CAS No.:57784-96-0
Molecular Weight:195.174
Molecular Formula:C22H42O7 (isomer)
Names and Identifiers
Synonyms

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-(perfluorooctylsulfonyl)octane-1-sulfonamide Bis(Perfluorooctylsulfonyl)amine Bis(perfluorooctylsulphonyl)amine

Inchi
InChI=1S/C9H9NO4/c10-8(9(13)14)5-1-2-6(4-11)7(12)3-5/h1-4,8,12H,10H2,(H,13,14)
InChkey
MWSKDGPKFCWPOF-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1C(C(=O)O)N)O)C=O
Properties
Density
1.55
Boiling Point
130-131 °C3 mm Hg(lit.)
Refractive Index
1.677
Computational chemical data
  • Molecular Weight:195.174g/mol
  • Molecular Formula:C22H42O7
  • Compound Is Canonicalized:True
  • Exact Mass:195.053
  • Monoisotopic Mass:195.053
  • Complexity:231
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:101A^2
  • Heavy Atom Count:14
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCzhmAYwDoBAAgCI AijSiACCAAAkIAAIiIGGDMgKJjaClROAcUBk4BEImYe47PTOQAABAAAIAACAAAIAABAAAAAAAAAA AA==
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