795266-50-1
Product Name:
1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-[[3-(1,1-dimethylethyl)-4-methoxyphenyl]methyl]-
Formula:
C16H19N3O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 333.34 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 333.13247072 g/mol |
| Monoisotopic Mass | 333.13247072 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 479 |
| 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 |