Home Sulfos 2-methanesulfonylcyclohexan-1-one

2-methanesulfonylcyclohexan-1-one

CAS No.:
16096-71-2
Catalog Number:
AG01A87N
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
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Product Description
Catalog Number:
AG01A87N
Chemical Name:
2-methanesulfonylcyclohexan-1-one
CAS Number:
16096-71-2
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
MDL Number:
MFCD15209655
IUPAC Name:
2-methylsulfonylcyclohexan-1-one
InChI:
InChI=1S/C7H12O3S/c1-11(9,10)7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChI Key:
KILKRQFHFYYRNM-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1S(=O)(=O)C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.051g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.23g/mol
Monoisotopic Mass:
176.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties