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129104-41-2 | Cyclooctanecarboxylic acid, 3-oxo-, ethyl ester
CAS No: 129104-41-2 Catalog No: AG000YUN MDL No:
Product Description
Catalog Number:
AG000YUN
Chemical Name:
Cyclooctanecarboxylic acid, 3-oxo-, ethyl ester
CAS Number:
129104-41-2
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
ethyl 3-oxocyclooctane-1-carboxylate
InChI:
InChI=1S/C11H18O3/c1-2-14-11(13)9-6-4-3-5-7-10(12)8-9/h9H,2-8H2,1H3
InChI Key:
UTIKDLPBZGUFSE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCCC(=O)C1
Properties
Complexity:
211
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:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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