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6-Heptyn-1-ol

Catalog Number ACM63478762-1
CAS 63478-76-2
Structure {[CurrentData.Name]}
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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