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Home > Encyclopedia > 4,4,4-Trifluoro-3-oxobutanoic acid

4,4,4-Trifluoro-3-oxobutanoic acid

4,4,4-Trifluoro-3-oxobutanoic acid structure

4,4,4-Trifluoro-3-oxobutanoic acid 

structure
  • CAS No:

    400-36-2

  • Formula:

    C4H3F3O3

  • Chemical Name:

    4,4,4-Trifluoro-3-oxobutanoic acid

  • Synonyms:

    Butanoic acid,4,4,4-trifluoro-3-oxo-;Acetoacetic acid,4,4,4-trifluoro-;Acetoacetic acid,γ-trifluoro-;4,4,4-Trifluoro-3-oxobutanoic acid;4,4,4-Trifluoro-3-oxobutyric acid

  • Categories:

    Pharmaceutical Intermediates  >  Anesthetics

4,4,4-Trifluoro-3-oxobutanoic acid Basic Attributes

156.060

156.06

609-777-6

DTXSID00517461

2918300090

Characteristics

54.37000

1.23

1.5±0.1 g/cm3

189.6±40.0 °C at 760 mmHg

68.5±27.3 °C

1.359

Computed Properties

Molecular Weight:156.06
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:156.00342844
Monoisotopic Mass:156.00342844
Topological Polar Surface Area:54.4
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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