2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester


Chemical Name: 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester
CAS Number: 17450-56-5
Product Number: AG001ZQ6(AGN-PC-0JT23V)
Synonyms:
MDL No: MFCD00011533
Molecular Formula: C12H12O3
Molecular Weight: 204.2219

Identification/Properties


Properties
MP:
32℃
BP:
305.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.542-1.546
Computed Properties
Molecular Weight:
204.225g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
204.079g/mol
Monoisotopic Mass:
204.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
250
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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