76407-98-2
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 |