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91493-56-0

91493-56-0 structural image
Product Name: 6-METHYLQUINOLINE-2,4-DICARBOXYLIC ACID
Formula: C12H9NO4
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COMPUTED DESCRIPTORS

Molecular Weight 231.20 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 231.05315777 g/mol
Monoisotopic Mass 231.05315777 g/mol
Topological Polar Surface Area 87.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 331
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