897375-70-1
Product Name:
2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 6-BORONO-3,4-DIHYDRO-, 2-(1,1-DIMETHYLETHYL) 3-METHYL ESTER
Formula:
C16H22BNO6
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COMPUTED DESCRIPTORS
Molecular Weight | 335.2 g/mol |
---|---|
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Exact Mass | 335.1540176 g/mol |
Monoisotopic Mass | 335.1540176 g/mol |
Topological Polar Surface Area | 96.3 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 478 |
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 |