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109012-23-9

109012-23-9 structural image
Product Name: Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
Formula: C7H9N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 199.16 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 199.05930578 g/mol
Monoisotopic Mass 199.05930578 g/mol
Topological Polar Surface Area 89.9 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 240
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