Name: 1 -Cyano-4-[(2-propynyloxy)methoxy]benzene
SMILES:
C#CCOCOc1ccc(C#N)cc1Molecular Processing
Molecular formula
C11H9NO2
Molecular weight
187.2
Exact mass
187.0633
XLogP
1.54
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
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
0.182
Molar refractivity
51.44
Supplementary Information
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