Propanoic acid, 2-cyano-, ethyl ester


Chemical Name: Propanoic acid, 2-cyano-, ethyl ester
CAS Number: 1572-99-2
Product Number: AG001P9Y(AGN-PC-05RDKX)
Synonyms:
MDL No:
Molecular Formula: C6H9NO2
Molecular Weight: 127.1412

Identification/Properties


Properties
BP:
194.452 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.4130-1.4150
Computed Properties
Molecular Weight:
127.143g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
127.063g/mol
Monoisotopic Mass:
127.063g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
144
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


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