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6-Heptyn-1-ol
| Catalog Number | ACM63478762-1 |
| CAS | 63478-76-2 |
| Structure |  |
| IUPAC Name | hept-6-yn-1-ol |
| Synonyms | 1-Hydroxy-6-Heptyne |
| Molecular Weight | 112.17 |
| Molecular Formula | C7H12O |
| Canonical SMILES | C#CCCCCCO |
| InChI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h1,8H,3-7H2 |
| InChI Key | BVRCLEXKQNWTDK-UHFFFAOYSA-N |
| Boiling Point | 174.3 °C at 760 mmHg |
| Flash Point | 92.8±14.9 °C |
| Purity | 97% |
| Density | 0.9±0.1 g/cm3 |
| Complexity | 77.6 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 112.088815002g/mol |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Monoisotopic Mass | 112.088815002g/mol |
| Refractive Index | 1.452 |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.2Ų |
| X Log P3 | 1.4 |
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