Benzeneacetic acid,4-(1,1-dimethylethyl)-α-oxo-, ethyl ester


Chemical Name: Benzeneacetic acid,4-(1,1-dimethylethyl)-α-oxo-, ethyl ester
CAS Number: 80120-36-1
Product Number: AG008NFS(AGN-PC-0UGE48)
Synonyms:
MDL No:
Molecular Formula: C14H18O3
Molecular Weight: 234.2909

Identification/Properties


Computed Properties
Molecular Weight:
234.295g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
234.126g/mol
Monoisotopic Mass:
234.126g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
280
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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