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Home Sulfos 4-Oxocyclohexyl 4-methylbenzenesulfonate

4-Oxocyclohexyl 4-methylbenzenesulfonate

CAS No.:
23511-04-8
Catalog Number:
AG002NIH
Molecular Formula:
C13H16O4S
Molecular Weight:
268.3287
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG002NIH
Chemical Name:
4-Oxocyclohexyl 4-methylbenzenesulfonate
CAS Number:
23511-04-8
Molecular Formula:
C13H16O4S
Molecular Weight:
268.3287
MDL Number:
MFCD12761267
IUPAC Name:
(4-oxocyclohexyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H16O4S/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-3,8-9,12H,4-7H2,1H3
InChI Key:
WDKMRHPBPTUYDX-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)OS(=O)(=O)c1ccc(cc1)C
NSC Number:
135158
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.327g/mol
Monoisotopic Mass:
268.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties