Pentanoic acid,5-bromo-2,2-dimethyl-4-oxo-, ethyl ester


Chemical Name: Pentanoic acid,5-bromo-2,2-dimethyl-4-oxo-, ethyl ester
CAS Number: 154325-75-4
Product Number: AG007XLX(AGN-PC-0Q6OH6)
Synonyms:
MDL No:
Molecular Formula: C9H15BrO3
Molecular Weight: 251.1176

Identification/Properties


Computed Properties
Molecular Weight:
251.12g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
250.02g/mol
Monoisotopic Mass:
250.02g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
199
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

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NMR Spectrum


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