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DBCO-C3-acid
| Catalog Number | CCR1207355314 |
| CAS | 1207355-31-4 |
| Structure |  |
| Synonyms | DBCO-(CH2)3-acid |
| IUPAC Name | 5-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-5-oxopentanoic acid |
| Molecular Weight | 319.35 |
| Molecular Formula | C20H17NO3 |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCCC(=O)O |
| InChI | InChI=1S/C20H17NO3/c22-19(10-5-11-20(23)24)21-14-17-8-2-1-6-15(17)12-13-16-7-3-4-9-18(16)21/h1-4,6-9H,5,10-11,14H2,(H,23,24) |
| InChI Key | KDYPHAQTQRXDCD-UHFFFAOYSA-N |
| Boiling Point | 635.5±55.0 °C(Predicted) |
| Purity | 95%+ |
| Density | 1.31±0.1 g/cm3(Predicted) |
| Appearance | Solid |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 544 |
| Exact Mass | 319.12084340 |
| Monoisotopic Mass | 319.12084340 |
| pKa | 4.63±0.10(Predicted) |
| Topological Polar Surface Area | 57.6Ų |
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