2-Propenoic acid, 3-(4-cyanophenyl)-, methyl ester


Chemical Name: 2-Propenoic acid, 3-(4-cyanophenyl)-, methyl ester
CAS Number: 52116-83-3
Product Number: AG003I46(AGN-PC-09RUER)
Synonyms:
MDL No:
Molecular Formula: C11H9NO2
Molecular Weight: 187.1947

Identification/Properties


Properties
MP:
112-125℃
Form:
Solid
Computed Properties
Molecular Weight:
187.198g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
187.063g/mol
Monoisotopic Mass:
187.063g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
266
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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