Benzeneacetonitrile, 3,5-dimethoxy-


Chemical Name: Benzeneacetonitrile, 3,5-dimethoxy-
CAS Number: 13388-75-5
Product Number: AG003IO5(AGN-PC-0JMQQ6)
Synonyms:
MDL No:
Molecular Formula: C10H11NO2
Molecular Weight: 177.1998

Identification/Properties


Properties
MP:
54-57 °C(lit.)
BP:
171-178°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
177.203g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
177.079g/mol
Monoisotopic Mass:
177.079g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
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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