Benzenepropanoic acid, 2-chloro-b-oxo-, ethyl ester


Chemical Name: Benzenepropanoic acid, 2-chloro-b-oxo-, ethyl ester
CAS Number: 19112-35-7
Product Number: AG002F28(AGN-PC-0QK9L0)
Synonyms:
MDL No:
Molecular Formula: C11H11ClO3
Molecular Weight: 226.6562

Identification/Properties


Computed Properties
Molecular Weight:
226.656g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
226.04g/mol
Monoisotopic Mass:
226.04g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
240
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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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