Name: 2,4-dimethoxy-5-methyl sulphonyl-benzoic acid
SMILES:
COC1=C(C)C=C(C(=O)O)C(OC)C1=S(=O)=OMolecular Processing
Molecular formula
C10H12O6S
Molecular weight
260.27
Exact mass
260.0355
XLogP
0
TPSA
89.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
60.15
Supplementary Information
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Involved in 3 reactions→