1613023-53-2
Product Name:
sodium 5-phenyl-4H-1,2,4-triazole-3-carboxylate
Formula:
C9H8N3NaO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 211.15 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 211.03577072 g/mol |
| Monoisotopic Mass | 211.03577072 g/mol |
| Topological Polar Surface Area | 81.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 221 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |