3-(4-CYANOPHENYL)PROPANOICACID


Chemical Name: 3-(4-CYANOPHENYL)PROPANOICACID
CAS Number: 42287-94-5
Product Number: AG003I47(AGN-PC-0WA7EC)
Synonyms:
MDL No:
Molecular Formula: C10H9NO2
Molecular Weight: 175.1840

Identification/Properties


Properties
MP:
138-143℃
BP:
362.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
175.187g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
175.063g/mol
Monoisotopic Mass:
175.063g/mol
Topological Polar Surface Area:
61.1A^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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