이름: p-Toluenesulfonic anhydride monohydrate
SMILES:
Cc1ccc(S(=O)(=O)OS(=O)(=O)c2ccc(C)cc2)cc1.OMolecular Processing
Molecular formula
C14H16O6S2
Molecular weight
344.41
Exact mass
344.0388
XLogP
1.57
TPSA
109.01
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.143
Molar refractivity
81.43
Supplementary Information
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