Nom: 3-(4-cyano-2,6-dimethyl-phenyl)-propionic acid tert-butyl ester
SMILES:
Cc1cc(C#N)cc(C)c1CCC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C16H21NO2
Molecular weight
259.35
Exact mass
259.1572
XLogP
3.45
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
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
0.5
Molar refractivity
74.8
Supplementary Information
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