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100047-52-7

100047-52-7 structural image
Product Name: 3-Pyrrolecarboxylicacid,5-methyl-(6CI)
Formula: C6H7NO2
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COMPUTED DESCRIPTORS

Molecular Weight 125.13 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 125.047678466 g/mol
Monoisotopic Mass 125.047678466 g/mol
Topological Polar Surface Area 53.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 124
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