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618102-90-2

618102-90-2 structural image
Product Name: 3-(4-ISOBUTYLPHENYL)-1-P-TOLYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
Formula: C21H22N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 334.4 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 334.168127949 g/mol
Monoisotopic Mass 334.168127949 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 437
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