Cyclohexanecarboxylic acid, 5,5-dimethyl-2-oxo-, ethyl ester


Chemical Name: Cyclohexanecarboxylic acid, 5,5-dimethyl-2-oxo-, ethyl ester
CAS Number: 64229-88-5
Product Number: AG003QBW(AGN-PC-0NIZ78)
Synonyms:
MDL No: MFCD09867911
Molecular Formula: C11H18O3
Molecular Weight: 198.2588

Identification/Properties


Properties
Storage:
Inert atmosphere;Room Temperature;
Computed Properties
Molecular Weight:
198.262g/mol
XLogP3:
2.1
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:
243
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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