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139573-03-8 | Benzenesulfonoperoxoic acid, 4-methyl-
CAS No: 139573-03-8 Catalog No: AG001BAR MDL No:
Product Description
Catalog Number:
AG001BAR
Chemical Name:
Benzenesulfonoperoxoic acid, 4-methyl-
CAS Number:
139573-03-8
Molecular Formula:
C7H8O4S
Molecular Weight:
188.2010
IUPAC Name:
4-methylbenzenesulfonoperoxoic acid
InChI:
InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)12(9,10)11-8/h2-5,8H,1H3
InChI Key:
MGTWXWKLYUMAON-UHFFFAOYSA-N
SMILES:
OOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.197g/mol
Monoisotopic Mass:
188.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis of all possible isomers corresponding to the proposed structure of montanacin E, and their antitumor activity. | The Journal of organic chemistry 20090821 |
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