Butanenitrile, 4,4-dimethoxy-


Chemical Name: Butanenitrile, 4,4-dimethoxy-
CAS Number: 14618-78-1
Product Number: AG001DS4(AGN-PC-0JLV5W)
Synonyms:
MDL No: MFCD00019883
Molecular Formula: C6H11NO2
Molecular Weight: 129.1570

Identification/Properties


Properties
MP:
-119.1°C
BP:
90-91°C at 14 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.419(lit.)
Computed Properties
Molecular Weight:
129.159g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
129.079g/mol
Monoisotopic Mass:
129.079g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
101
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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