Nombre: diethyl 4-oxocyclohexane-1,1-dicarboxylate
SMILES:
CCOC(=O)C1(C(=O)OCC)CCC(=O)CC1Molecular Processing
Molecular formula
C12H18O5
Molecular weight
242.27
Exact mass
242.1154
XLogP
1.24
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
59.17
Supplementary Information
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