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Home> Encyclopedia > Hot Product Listed 2   > 2-Butenoic acid,4-amino-2-fluoro-, (2Z)-
793664-29-6 structure

2-Butenoic acid,4-amino-2-fluoro-, (2Z)-

Iupac Name:N-(5-amino-1,3-thiazol-2-yl)acetamide
CAS No.:793664-29-6
Molecular Weight:157.191
Molecular Formula:C29H44O9 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C5H7N3OS/c1-3(9)8-5-7-2-4(6)10-5/h2H,6H2,1H3,(H,7,8,9)
InChkey
AEISOTGRVPCMBJ-UHFFFAOYSA-N
Canonical Smiles
CC(=O)NC1=NC=C(S1)N
Properties
Density
0.844
Boiling Point
116 °C at 760 mmHg
Computational chemical data
  • Molecular Weight:157.191g/mol
  • Molecular Formula:C29H44O9
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.8
  • Exact Mass:157.031
  • Monoisotopic Mass:157.031
  • Complexity:141
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:96.2A^2
  • Heavy Atom Count:10
  • 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: AAADcYBjIABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgQQAAAAAADBwgQvkRLIEAis ABE3dAAA8KlRGjlBQAwIMACAQAAACAAQAAAIEQIAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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