Name: ethyl 2-(4-cyanophenyl)-2-methylpropanoate
SMILES:
CCOC(=O)C(C)(C)c1ccc(C#N)cc1Molecular Processing
Molecular formula
C13H15NO2
Molecular weight
217.27
Exact mass
217.1103
XLogP
2.4
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
60.82
Supplementary Information
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