Name: p-toluenesulphonic acid monohydrate
SMILES:
Cc1ccc(S(=O)(=O)O)cc1.OMolecular Processing
Molecular formula
C7H10O4S
Molecular weight
190.22
Exact mass
190.03
XLogP
0.42
TPSA
85.87
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.143
Molar refractivity
44.61
Supplementary Information
No supplementary data available
Involved in 5668 reactions→