2044713-17-7
Product Name:
1-Piperidinecarboxylic acid, 4-[4-carboxy-5-(difluoromethyl)-1H-1,2,3-triazol-1-yl]-, 1-(1,1-dimethylethyl) ester
Formula:
C14H20F2N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 346.33 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 346.14526146 g/mol |
| Monoisotopic Mass | 346.14526146 g/mol |
| Topological Polar Surface Area | 97.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 478 |
| 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 |