Name: diethyl 2-oxo-3-(3-chlorophenyl)succinate
SMILES:
CCOC(=O)C(=O)C(C(=O)OCC)c1cccc(Cl)c1Molecular Processing
Molecular formula
C14H15ClO5
Molecular weight
298.72
Exact mass
298.0608
XLogP
2.12
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
72.47
Supplementary Information
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