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91808-38-7

91808-38-7 structural image
Product Name: 1H-Pyrazole-3,4-dicarboxylic acid, 5-methyl-
Formula: C6H6N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 170.12 g/mol
XLogP3 0
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 170.03275668 g/mol
Monoisotopic Mass 170.03275668 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 218
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