3-(3-cyanophenyl)propanoic acid


Chemical Name: 3-(3-cyanophenyl)propanoic acid
CAS Number: 42287-97-8
Product Number: AG00364R(AGN-PC-00O8Y5)
Synonyms:
MDL No:
Molecular Formula: C10H9NO2
Molecular Weight: 175.1840

Identification/Properties


Properties
BP:
350.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
175.18g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
175.063329g/mol
Monoisotopic Mass:
175.063329g/mol
Topological Polar Surface Area:
61.1Ų
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
228
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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