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83140-96-9

83140-96-9 structural image
Product Name: 2-Methyl-3-(1H-pyrrol-1-yl)benzoic acid
Formula: C12H11NO2
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COMPUTED DESCRIPTORS

Molecular Weight 201.22 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 201.078978594 g/mol
Monoisotopic Mass 201.078978594 g/mol
Topological Polar Surface Area 42.2 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 236
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