Cyclohexanecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester


Chemical Name: Cyclohexanecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester
CAS Number: 38446-95-6
Product Number: AG0038SB(AGN-PC-00324F)
Synonyms:
MDL No:
Molecular Formula: C11H18O3
Molecular Weight: 198.2588

Identification/Properties


Computed Properties
Molecular Weight:
198.262g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
198.126g/mol
Monoisotopic Mass:
198.126g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
227
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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