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33369-46-9

33369-46-9 structural image
Product Name: ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate
Formula: C11H15NO4
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COMPUTED DESCRIPTORS

Molecular Weight 225.24 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 225.10010796 g/mol
Monoisotopic Mass 225.10010796 g/mol
Topological Polar Surface Area 68.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 279
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