Benzoic acid, 4-butyl-, 4-cyanophenyl ester


Chemical Name: Benzoic acid, 4-butyl-, 4-cyanophenyl ester
CAS Number: 38690-77-6
Product Number: AG003L9B(AGN-PC-0JPR70)
Synonyms:
MDL No:
Molecular Formula: C18H17NO2
Molecular Weight: 279.3331

Identification/Properties


Properties
MP:
67-69 °C(lit.)
BP:
441.9 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
279.339g/mol
XLogP3:
4.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
279.126g/mol
Monoisotopic Mass:
279.126g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
368
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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