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76407-98-2

76407-98-2 structural image
Product Name: 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)
Formula: C10H10N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 254.26 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 254.03612798 g/mol
Monoisotopic Mass 254.03612798 g/mol
Topological Polar Surface Area 89.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 348
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes