2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester


Chemical Name: 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester
CAS Number: 953-26-4
Product Number: AG003QBI(AGN-PC-0JM195)
Synonyms:
MDL No:
Molecular Formula: C11H11NO4
Molecular Weight: 221.2093

Identification/Properties


Properties
MP:
137-140 °C
BP:
326.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5200 (estimate)
Computed Properties
Molecular Weight:
221.212g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
221.069g/mol
Monoisotopic Mass:
221.069g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
274
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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