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1,3-Diethynylbenzene
| Catalog Number | ACM1785611-1 |
| CAS | 1785-61-1 |
| Structure |  |
| IUPAC Name | 1,3-diethynylbenzene |
| Synonyms | 1,3-Diethynylbenzene;1785-61-1;M-DIETHYNYLBENZENE;Benzene, 1,3-diethynyl-;Benzene,1,3-diethynyl-;MFCD00041686;1,3-diethynyl-benzene;ACMC-1BPV1;1,3-Diethynylbenzene, 97%;CHEMBL449036;DTXSID20170491;AMY38468;ZINC2579246;ANW-22940;SBB008746;AKOS006223442;AS-46667;DB-121188;D2496;FT-0628177;A812383;J-011386 |
| Molecular Weight | 126.15 |
| Molecular Formula | C10H6 |
| Canonical SMILES | C#CC1=CC(=CC=C1)C#C |
| InChI | InChI=1S/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8H |
| InChI Key | PNXLPYYXCOXPBM-UHFFFAOYSA-N |
| Melting Point | 188-189 °C-lit. |
| Purity | 98% |
| Appearance | Purplish black solid |
| Complexity | 173 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 126.0469501914g/mol |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Monoisotopic Mass | 126.0469501914g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0Ų |
| X Log P3 | 2.8 |
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