866040-80-4
Product Name:
1H-Pyrrole-1-propanoic acid, β-(4-cyanophenyl)-2,5-dimethyl-, methyl ester
Formula:
C17H18N2O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >42.4 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 282.34 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 282.136827821 g/mol |
| Monoisotopic Mass | 282.136827821 g/mol |
| Topological Polar Surface Area | 55 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 396 |
| 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 |