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endo-BCN-O-PNB
| Catalog | CCR1263166911 |
| CAS | 1263166-91-1 |
| Synonyms | ((1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-yl)methyl 4-nitrophenyl carbonate |
| IUPAC Name | [(1R,8S)-9-Bicyclo[6.1.0]non-4-ynyl]methyl (4-nitrophenyl) carbonate |
| Molecular Weight | 315.33 |
| Molecular Formula | C17H17NO5 |
| Canonical SMILES | C1CC2C(C2COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CCC#C1 |
| InChI | InChI=1S/C17H17NO5/c19-17(23-13-9-7-12(8-10-13)18(20)21)22-11-16-14-5-3-1-2-4-6-15(14)16/h7-10,14-16H,3-6,11H2/t14-,15+,16? |
| InChI Key | QXNXOXMDBLHIDB-XYPWUTKMSA-N |
| Boiling Point | 475.7±37.0 °C(Predicted) |
| Purity | 99%+ |
| Density | 1.32±0.1 g/cm3(Predicted) |
| Appearance | Solid |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 502 |
| Exact Mass | 315.11067264 |
| Isomeric SMILES | C1C[C@@H]2[C@@H](C2COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CCC#C1 |
| Monoisotopic Mass | 315.11067264 |
| Topological Polar Surface Area | 81.4Ų |
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