3-Hexyne-2,5-diol, 2,5-dimethyl-


Chemical Name: 3-Hexyne-2,5-diol, 2,5-dimethyl-
CAS Number: 142-30-3
Product Number: AG003FZI(AGN-PC-0JK8RK)
Synonyms:
MDL No:
Molecular Formula: C8H14O2
Molecular Weight: 142.1956

Identification/Properties


Properties
MP:
90-94 °C
BP:
121-123°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4179 (estimate)
Solubility:
240g/l
Computed Properties
Molecular Weight:
142.198g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
142.099g/mol
Monoisotopic Mass:
142.099g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
160
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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