2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)-


Chemical Name: 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)-
CAS Number: 40594-97-6
Product Number: AG003QEL(AGN-PC-0OA5RZ)
Synonyms:
MDL No:
Molecular Formula: C6H7NO2
Molecular Weight: 125.1253

Identification/Properties


Properties
BP:
215°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
125.127g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
125.048g/mol
Monoisotopic Mass:
125.048g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
163
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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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