CAS: 16722-51-3
Nombre: 4-methylbenzenesulfonate
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)[O-]Molecular Processing
Molecular formula
C7H7O3S-
Molecular weight
171.2
Exact mass
171.0121
XLogP
0.9
TPSA
57.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
39.14
Supplementary Information
InChIKey: JOXIMZWYDAKGHI-UHFFFAOYSA-M
Sinónimos
4-Toluene sulfonate16722-51-3p-ToluenesulfonateRefChem:9284724-MethylbenzenesulfonatetosylateToluene-4-sulfonate4-Toluenesulfonatep-Toluene sulfonate4-toluenesulphonate4-Toluene sulfonic acidmonotosylatep-toluensulfonatep-toluenesulphonatepara-toluenesulfonateracemic tosylatep-toluene-sulfonatep-toluene sulphonatep-toluene-sulphonateparatoluene sulfonaterho-toluene-sulphonatepara-toluene sulphonate4-methylphenylsulphonate4-methylbenzenesulphonate4-methyl-benzenesulfonate4-methylbenzene sulphonate4-Methylbenzene-1-sulfonateDTXSID7045075CHEBI:27023AKOS015890572
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