Nombre: Methyl 3-(2-cyanobenzo[b]thiophen-5-yl)acrylate
SMILES:
COC(=O)C=Cc1ccc2sc(C#N)cc2c1Molecular Processing
Molecular formula
C13H9NO2S
Molecular weight
243.29
Exact mass
243.0354
XLogP
2.96
TPSA
50.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
67.59
Supplementary Information
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