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Home > Encyclopedia > [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester

[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester

[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester structure

[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester 

structure
  • CAS No:

    54142-64-2

  • Formula:

    C31H25F3O6

  • Chemical Name:

    [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester

  • Synonyms:

    54142-64-2;[1,1"-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester;SCHEMBL5575196;SCHEMBL5575212;ZINC8385724;AKOS025402012;AC-28179;142B642;J-501131;(3AR,4R,5R,6AS)-2-oxo-4-((E)-3-oxo-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl [1,1"-biphenyl]- 4-carboxylate

[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester Basic Attributes

550.52

550.160339

DTXSID50722200

Characteristics

78.90000

5.53

1.4±0.1 g/cm3

128-129ºC

699.7±55.0 °C at 760 mmHg

362.7±26.4 °C

1.604

Computed Properties

Molecular Weight:550.5
XLogP3:6.3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:550.16032300
Monoisotopic Mass:550.16032300
Topological Polar Surface Area:78.9
Heavy Atom Count:40
Complexity:934
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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