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5366-49-4 | 1-Tosylpropan-2-one
CAS No: 5366-49-4 Catalog No: AG003D49 MDL No:MFCD00026240
Product Description
Catalog Number:
AG003D49
Chemical Name:
1-Tosylpropan-2-one
CAS Number:
5366-49-4
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD00026240
IUPAC Name:
1-(4-methylphenyl)sulfonylpropan-2-one
InChI:
InChI=1S/C10H12O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6H,7H2,1-2H3
InChI Key:
NDQXJNHOGLQSMB-UHFFFAOYSA-N
SMILES:
CC(=O)CS(=O)(=O)c1ccc(cc1)C
EC Number:
226-353-2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Preparation and reductive transformations of vinylogous sulfonamides (beta-sulfonyl enamines), and application to the synthesis of indolizidines. | Organic & biomolecular chemistry 20041207 |
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