554402-33-4
Product Name:
METHYL 5-(2-FORMYL-1H-PYRROL-1-YL)-4H-1,2,4-TRIAZOLE-3-CARBOXYLATE
Formula:
C9H8N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 220.18 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 220.05964013 g/mol |
| Monoisotopic Mass | 220.05964013 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 286 |
| 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 |