1-Butanol, 3-methoxy-3-methyl-


Chemical Name: 1-Butanol, 3-methoxy-3-methyl-
CAS Number: 56539-66-3
Product Number: AG003JPO(AGN-PC-0JL4UJ)
Synonyms:
MDL No:
Molecular Formula: C6H14O2
Molecular Weight: 118.1742

Identification/Properties


Properties
MP:
-50 °C
BP:
164.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.428(lit.)
Computed Properties
Molecular Weight:
118.176g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
118.099g/mol
Monoisotopic Mass:
118.099g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
59.5
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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