Benzeneacetic acid, 4-cyano-, methyl ester


Chemical Name: Benzeneacetic acid, 4-cyano-, methyl ester
CAS Number: 52798-01-3
Product Number: AG00D820(AGN-PC-0K69DU)
Synonyms:
MDL No:
Molecular Formula: C10H9NO2
Molecular Weight: 175.1840

Identification/Properties


Properties
MP:
221℃
BP:
289.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
175.187g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
175.063g/mol
Monoisotopic Mass:
175.063g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
220
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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