31100-31-9
Product Name:
1H-1,2,4-Triazole-3-carboxylicacid,5-methyl-,methylester(9CI)
Formula:
C5H7N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 141.13 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 141.053826475 g/mol |
| Monoisotopic Mass | 141.053826475 g/mol |
| Topological Polar Surface Area | 67.9 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 139 |
| 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 |