1134327-89-1
Product Name:
4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
Formula:
C14H17NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 247.29 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 247.12084340 g/mol |
| Monoisotopic Mass | 247.12084340 g/mol |
| Topological Polar Surface Area | 46.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 345 |
| 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 |