8-isothiocyanatopyrene-1,3,6-trisulfonic acid
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8-isothiocyanatopyrene-1,3,6-trisulfonic acid
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CAS No:
58226-67-8
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Formula:
C17H9NO9S4
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Chemical Name:
8-isothiocyanatopyrene-1,3,6-trisulfonic acid
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Synonyms:
1,3,6-trisulfonylpyrene 8-isothiocyanate;1,3,6-TSPI;58226-67-8;1,3,6-Trisulfonylpyrene 8-isothiocyanate;1,3,6-Tspi;8-isothiocyanatopyrene-1,3,6-trisulfonic acid;SCHEMBL666282;DTXSID50206959;ZINC2575106;1-Isothiocyanatopyrene-3,6,8-trisulfonic acid;1,3,6-Pyrenetrisulfonic acid, 8-isothiocyanato-
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CAS No:
8-isothiocyanatopyrene-1,3,6-trisulfonic acid Basic Attributes
499.5 g/mol
498.91601556 g/mol
DTXSID50206959
Computed Properties
Molecular Weight:499.5
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:498.91601556
Monoisotopic Mass:498.91601556
Topological Polar Surface Area:233
Heavy Atom Count:31
Complexity:1100
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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