Name: tert-butyl[3-(cyanomethyl)phenoxy]acetate
SMILES:
CC(C)(C)OC(=O)COc1cccc(CC#N)c1Molecular Processing
Molecular formula
C14H17NO3
Molecular weight
247.29
Exact mass
247.1208
XLogP
2.47
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
67.1
Supplementary Information
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