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2969-93-9 | 1,1-Cyclohexanedicarboxylic acid, 2-oxo-, 1,1-diethyl ester
CAS No: 2969-93-9 Catalog No: AG002Z4R MDL No:
Product Description
Catalog Number:
AG002Z4R
Chemical Name:
1,1-Cyclohexanedicarboxylic acid, 2-oxo-, 1,1-diethyl ester
CAS Number:
2969-93-9
Molecular Formula:
C12H18O5
Molecular Weight:
242.2683
IUPAC Name:
diethyl 2-oxocyclohexane-1,1-dicarboxylate
InChI:
InChI=1S/C12H18O5/c1-3-16-10(14)12(11(15)17-4-2)8-6-5-7-9(12)13/h3-8H2,1-2H3
InChI Key:
WFFNBDLXWJGXCK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCCC1=O)C(=O)OCC
NSC Number:
12233
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.271g/mol
Monoisotopic Mass:
242.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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