4-isothiocyanatophthalic acid
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4-isothiocyanatophthalic acid
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CAS No:
66753-48-8
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Formula:
C9H5NO4S
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Chemical Name:
4-isothiocyanatophthalic acid
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Synonyms:
phthalyl-4-isothiocyanate;Phthalyl-4-isothiocyanate;4-isothiocyanatophthalic acid;66753-48-8;1,2-Benzenedicarboxylic acid, 4-isothiocyanato-;SCHEMBL9064961;DTXSID80216889
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CAS No:
Computed Properties
Molecular Weight:223.21
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:222.99392881
Monoisotopic Mass:222.99392881
Topological Polar Surface Area:119
Heavy Atom Count:15
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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