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91940-84-0

91940-84-0 structural image
Product Name: 2-TERT-BUTYL-ISONICOTINIC ACID
Formula: C10H13NO2
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COMPUTED DESCRIPTORS

Molecular Weight 179.22 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 179.094628657 g/mol
Monoisotopic Mass 179.094628657 g/mol
Topological Polar Surface Area 50.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 196
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