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897374-85-5

897374-85-5 structural image
Product Name: 2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 3,4-DIHYDRO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 2-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER
Formula: C23H34BNO6
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COMPUTED DESCRIPTORS

Molecular Weight 431.3 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 431.2479180 g/mol
Monoisotopic Mass 431.2479180 g/mol
Topological Polar Surface Area 74.3 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 672
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes