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Tetrazine-acid
Catalog NumberCCR1380500924
CAS Number1380500-92-4
CategoryTetrazines
| Synonyms | Tetrazine-Ph-acid |
| IUPAC Name | 2-[4-(1,2,4,5-Tetrazin-3-yl)phenyl]acetic acid |
| Molecular Weight | 216.20 |
| Molecular Formula | C10H8N4O2 |
| SMILES | C1=CC(=CC=C1CC(=O)O)C2=NN=CN=N2 |
| InChI | InChI=1S/C10H8N4O2/c15-9(16)5-7-1-3-8(4-2-7)10-13-11-6-12-14-10/h1-4,6H,5H2,(H,15,16) |
| InChI Key | SLJKKTFIAUAYGR-UHFFFAOYSA-N |
| Boiling Point | 477.1±47.0 °C(Predicted) |
| Purity | 99%+ |
| Density | 1.394±0.06 g/cm3(Predicted) |
| Appearance | Solid |
| Application | IEDDA Click Reaction |
| Complexity | 235 |
| Exact Mass | 216.06472551 |
| Monoisotopic Mass | 216.06472551 |
| pKa | 3.66±0.10(Predicted) |
| Topological Polar Surface Area | 88.9Ų |
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