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Home > Encyclopedia > 4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid

4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid

4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid structure

4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid 

structure
  • CAS No:

    205383-17-1

  • Formula:

    C17H11O6

  • Chemical Name:

    4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid

  • Synonyms:

    4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid;1,3,5-Triscarboxyphenylethynylbenzene;H3BTE;1,3,5-Tris(4-carboxyphenylethynyl)benzene;4,4′,4′′-(1,3,5-benzenetriyltri-2,1-ethynediyl)trisbenzoic acid;1,3,5-Tris[2-(4-carboxyphenyl)-1-ethynyl]benzene

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid Basic Attributes

311.26564

510.110338

DTXSID50736367

Characteristics

112

1.48±0.1 g/cm3(Predicted)

352℃

Safety Information

3

Computed Properties

Molecular Weight:510.5
XLogP3:6.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:510.11033829
Monoisotopic Mass:510.11033829
Topological Polar Surface Area:112
Heavy Atom Count:39
Complexity:950
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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