4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid
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4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid
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CAS No:
205383-17-1
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Formula:
C17H11O6
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Chemical Name:
4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid
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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
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CAS No:
4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid Basic Attributes
311.26564
510.110338
DTXSID50736367
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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4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid
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