Benzeneacetonitrile, 3-benzoyl-a-methyl-


Chemical Name: Benzeneacetonitrile, 3-benzoyl-a-methyl-
CAS Number: 42872-30-0
Product Number: AG003B28(AGN-PC-0RQXQ0)
Synonyms:
MDL No:
Molecular Formula: C16H13NO
Molecular Weight: 235.2805

Identification/Properties


Properties
MP:
47-53 °C(lit.);
BP:
400.8 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
235.286g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
235.1g/mol
Monoisotopic Mass:
235.1g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
334
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


Request for Quotation


Customer Feedback