1-Hexyn-3-ol, 3,5-dimethyl-


Chemical Name: 1-Hexyn-3-ol, 3,5-dimethyl-
CAS Number: 107-54-0
Product Number: AG003IOE(AGN-PC-0JL485)
Synonyms:
MDL No:
Molecular Formula: C8H14O
Molecular Weight: 126.1962

Identification/Properties


Properties
MP:
-39℃ (estimate)
BP:
150°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
126.199g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
126.104g/mol
Monoisotopic Mass:
126.104g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
129
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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