C[C@@H]1O[C@H]1CO.Cc1ccc(S(=O)(=O)[O-])cc1
名称: (2S-trans)-3-methyloxiranemethanol 4-methylbenzenesulfonate
SMILES: C[C@@H]1O[C@H]1CO.Cc1ccc(S(=O)(=O)[O-])cc1

Molecular Processing

Molecular formula
C11H15O5S-
Molecular weight
259.3
Exact mass
259.0646
XLogP
0.67
TPSA
89.96
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
-1
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
60.56

Supplementary Information

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