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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