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956930-21-5

956930-21-5 structural image
Product Name: 2-[4-(ETHOXYCARBONYL)-3,5-DIMETHYL-1H-PYRAZOL-1-YL]BENZENECARBOXYLIC ACID
Formula: C15H16N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 288.30 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 288.11100700 g/mol
Monoisotopic Mass 288.11100700 g/mol
Topological Polar Surface Area 81.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 401
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