3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-methylbenzenesulfonic acid
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3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-methylbenzenesulfonic acid
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CAS No:
5466-86-4
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Formula:
C11H12N2O4S
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Chemical Name:
3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-methylbenzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-methyl-;p-Toluenesulfonic acid,3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-;3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-methylbenzenesulfonic acid;NSC 26426
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CAS No:
3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-methylbenzenesulfonic acid Basic Attributes
268.29 g/mol
268.29
26426
DTXSID20282543
Computed Properties
Molecular Weight:268.29
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:268.05177804
Monoisotopic Mass:268.05177804
Topological Polar Surface Area:95.4
Heavy Atom Count:18
Complexity:480
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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