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Simonsil

Simonsil structure

Simonsil 

structure
  • CAS No:

    155709-40-3

  • Formula:

    C27H26O3

  • Chemical Name:

    Simonsil

  • Synonyms:

    Simonsil;SiMonsinol;3'',5,5'-Tri-2-propenyl- [1,1':3',1''-terphenyl]-2,2',4''-triol

  • Categories:

    Natural Products  >  Lignans

Simonsil Basic Attributes

398.502

398.188202

Characteristics

60.69000

5.92

1.143±0.06 g/cm3(Predicted)

524.7±45.0 °C(Predicted)

226.9±23.3 °C

1.622

Computed Properties

Molecular Weight:398.5
XLogP3:7.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:398.18819469
Monoisotopic Mass:398.18819469
Topological Polar Surface Area:60.7
Heavy Atom Count:30
Complexity:573
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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