721417-11-4
Product Name:
1H-Pyrrole-3-carboxylic acid, 4-(2-cyanoacetyl)-2,5-dimethyl-, ethyl ester
Formula:
C12H14N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 234.25 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 234.10044231 g/mol |
| Monoisotopic Mass | 234.10044231 g/mol |
| Topological Polar Surface Area | 83 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 358 |
| 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 |