Nom: 3-ethynylphenyl(p-toluenesulfonate)
SMILES:
C#Cc1cccc(-c2cc(S(=O)(=O)[O-])ccc2C)c1Molecular Processing
Molecular formula
C15H11O3S-
Molecular weight
271.32
Exact mass
271.0434
XLogP
2.55
TPSA
57.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
72.51
Supplementary Information
Récupération des détails…
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