743440-33-7
Product Name:
2-Propenoic acid, 2-cyano-3-[1-(2-methoxy-1-methylethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-
Formula:
C14H18N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 262.30 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 262.13174244 g/mol |
| Monoisotopic Mass | 262.13174244 g/mol |
| Topological Polar Surface Area | 75.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 410 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |