CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC=C1
名称: 4-methylbenzenesulfonic acid;pyridine
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC=C1

Molecular Processing

Molecular formula
C12H13NO3S
Molecular weight
251.31
Exact mass
251.0616
XLogP
2.32
TPSA
67.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.083
Molar refractivity
65.23

Supplementary Information

InChIKey: ZDYVRSLAEXCVBX-UHFFFAOYSA-N
同義語
pyridine 4-methylbenzenesulfonate4-methylbenzenesulfonic acid;pyridinepyridine 4-methylbenzene-1-sulfonateMFCD00013108pyridinium p-toluene sulfonate (ppts)SCHEMBL20958CS-D1126Pyridinium p-toluenesulfonate, 98%pyridinium p-toluenesulfonate (ppts)4-methylbenzenesulfonate,pyridin-1-iumAKOS016023749AC-9542FP71575PB47449AS-11309BP-21239SY0056684-methylbenzene-1-sulfonic acid; pyridine4-Methylbenzene-1-sulfonic acid--pyridine (1/1)F044338Q4383184Pyridinium p-toluenesulfonate, puriss., >=99.0% (T)
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