90861-79-3
Product Name:
3,4-Isoquinolinedione, 1,2-dihydro-2-(hydroxymethyl)-1-phenyl-
Formula:
C16H13NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 267.28 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 267.08954328 g/mol |
| Monoisotopic Mass | 267.08954328 g/mol |
| Topological Polar Surface Area | 57.6 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 389 |
| 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 |