O=C(O)Cc1ccc(CS(=O)(=O)O)cc1
名称: p-sulfomethylphenylacetic acid
SMILES: O=C(O)Cc1ccc(CS(=O)(=O)O)cc1

Molecular Processing

Molecular formula
C9H10O5S
Molecular weight
230.24
Exact mass
230.0249
XLogP
0.7
TPSA
91.67
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
53.03

Supplementary Information

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