Home Sulfos 4-phenylcyclohexyl methanesulfonate, trans

4-phenylcyclohexyl methanesulfonate, trans

CAS No.:
110458-20-3
Catalog Number:
AG01BBES
Molecular Formula:
C13H18O3S
Molecular Weight:
254.3452
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Product Description
Catalog Number:
AG01BBES
Chemical Name:
4-phenylcyclohexyl methanesulfonate, trans
CAS Number:
110458-20-3
Molecular Formula:
C13H18O3S
Molecular Weight:
254.3452
MDL Number:
MFCD28505981
IUPAC Name:
(4-phenylcyclohexyl) methanesulfonate
InChI:
InChI=1S/C13H18O3S/c1-17(14,15)16-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChI Key:
PBJQZZOGJPBGNO-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O[C@@H]1CC[C@H](CC1)c1ccccc1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.344g/mol
Monoisotopic Mass:
254.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties