3-Butenoic acid, 4-(4-bromophenyl)-2-oxo-, methyl ester, (3E)-


Chemical Name: 3-Butenoic acid, 4-(4-bromophenyl)-2-oxo-, methyl ester, (3E)-
CAS Number: 608128-34-3
Product Number: AG00EJRD(AGN-PC-0OD6S5)
Synonyms:
MDL No:
Molecular Formula: C11H9BrO3
Molecular Weight: 269.0914

Identification/Properties


Computed Properties
Molecular Weight:
269.094g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
267.974g/mol
Monoisotopic Mass:
267.974g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
265
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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