Cas no 86302-40-1 ( )

  structure
  structure
Product Name: 
CAS No:86302-40-1
MF:C4H3F3O3
MW:156.060032129288
CID:875515
PubChem ID:90476871
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid, 4,4,4-trifluoro-3-hydroxy-
    • 3-Hydroxy-4,4,4-trifluoro-2-butenoic acid
    • 86302-40-1
    • 4,4,4-Trifluoro-3-hydroxybut-2-enoic acid
    • LQFCENLHIPNZEW-UPHRSURJSA-N
    •  
    • Inchi: 1S/C4H3F3O3/c5-4(6,7)2(8)1-3(9)10/h1,8H,(H,9,10)/b2-1-
    • InChI Key: LQFCENLHIPNZEW-UPHRSURJSA-N
    • SMILES: FC(/C(=C/C(=O)O)/O)(F)F

Computed Properties

  • Exact Mass: 156.00342844g/mol
  • Monoisotopic Mass: 156.00342844g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 57.5?2
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