41234-20-2
Product Name:
3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanopropionic Acid
Formula:
C12H12BrNO4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 314.13 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 312.99497 g/mol |
| Monoisotopic Mass | 312.99497 g/mol |
| Topological Polar Surface Area | 79.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 340 |
| 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 |