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116596-80-6 | Cyclohexanecarboxylic acid, 5-ethyl-2-oxo-, ethyl ester
CAS No: 116596-80-6 Catalog No: AG000CUC MDL No:
Product Description
Catalog Number:
AG000CUC
Chemical Name:
Cyclohexanecarboxylic acid, 5-ethyl-2-oxo-, ethyl ester
CAS Number:
116596-80-6
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
ethyl 5-ethyl-2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C11H18O3/c1-3-8-5-6-10(12)9(7-8)11(13)14-4-2/h8-9H,3-7H2,1-2H3
InChI Key:
UQCWMCVHLWXKLU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(CC)CCC1=O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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