CAS: 88-20-0
이름: 2-methylbenzenesulfonic acid
SMILES:
CC1=CC=CC=C1S(=O)(=O)OMolecular Processing
Molecular formula
C7H8O3S
Molecular weight
172.2
Exact mass
172.0194
XLogP
1.24
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
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
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
40.99
Supplementary Information
InChIKey: LBLYYCQCTBFVLH-UHFFFAOYSA-N
동의어
2-methylbenzenesulfonic acid88-20-0Toluene-2-sulfonic acido-toluenesulfonic acidBenzenesulfonic acid, 2-methyl-UNII-4ZHF5BMF7N4ZHF5BMF7NEINECS 201-809-3DTXSID1045035O-METHYLBENZENESULFONIC ACIDNSC-87381RefChem:88256DTXCID9025035201-809-32-Toluenesulfonic acidMFCD000694422-methylbenzene-1-sulfonic acid2-Methyl Benzenesulfonic acidToluene-2-sulphonic acidtoluenesulfonicacidO-TOLUENE SULFONIC ACIDtoluensulfonic acidtoluene-sulfonic acidtoluene sulphonic acido-toluene-sulfonic acid2-toluene-sulfonic acid2-methylbenzenesulfonicacid2-methylbenzenesulonic acidortho-toluene sulfonic acidSCHEMBL1748
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