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106551-79-5

106551-79-5 structural image
Product Name: 7,7-DIMETHYL-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLIC ACID
Formula: C12H13NO4
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COMPUTED DESCRIPTORS

Molecular Weight 235.24 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 235.08445790 g/mol
Monoisotopic Mass 235.08445790 g/mol
Topological Polar Surface Area 83.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 497
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