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84968-78-5

84968-78-5 structural image
Product Name: 1-(2-Benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid
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COMPUTED DESCRIPTORS

Molecular Weight 289.31 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 289.05211239 g/mol
Monoisotopic Mass 289.05211239 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 480
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