Home Sulfos 3,3-dimethylbutyl methanesulfonate

3,3-dimethylbutyl methanesulfonate

CAS No.:
69436-45-9
Catalog Number:
AG01B8UP
Molecular Formula:
C7H16O3S
Molecular Weight:
180.2651
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Product Description
Catalog Number:
AG01B8UP
Chemical Name:
3,3-dimethylbutyl methanesulfonate
CAS Number:
69436-45-9
Molecular Formula:
C7H16O3S
Molecular Weight:
180.2651
MDL Number:
MFCD25966266
IUPAC Name:
3,3-dimethylbutyl methanesulfonate
InChI:
InChI=1S/C7H16O3S/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3
InChI Key:
DCTROTZBSDPXSM-UHFFFAOYSA-N
SMILES:
CC(CCOS(=O)(=O)C)(C)C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.082g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.262g/mol
Monoisotopic Mass:
180.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties