2-[2-[4,5-Dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid
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2-[2-[4,5-Dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid
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CAS No:
68957-71-1
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Formula:
C18H16N4O9S2
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Chemical Name:
2-[2-[4,5-Dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid
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Synonyms:
Benzoic acid,2-[2-[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfo-;Benzoic acid,2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfo-;2-[2-[4,5-Dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid;68400-28-2;827018-86-0
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CAS No:
2-[2-[4,5-Dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid Basic Attributes
496.5 g/mol
496.47
2-[2-[4,5-Dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid Use and Manufacturing
Benzoic acid, 2-[2-[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfo-: ACTIVE
Computed Properties
Molecular Weight:496.5
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:496.03587045
Monoisotopic Mass:496.03587045
Topological Polar Surface Area:220
Heavy Atom Count:33
Complexity:1060
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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