Home Sulfos 2,2-dimethylbut-3-en-1-yl methanesulfonate

2,2-dimethylbut-3-en-1-yl methanesulfonate

CAS No.:
70074-03-2
Catalog Number:
AG01C1D6
Molecular Formula:
C7H14O3S
Molecular Weight:
178.2493
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Product Description
Catalog Number:
AG01C1D6
Chemical Name:
2,2-dimethylbut-3-en-1-yl methanesulfonate
CAS Number:
70074-03-2
Molecular Formula:
C7H14O3S
Molecular Weight:
178.2493
MDL Number:
MFCD29047258
IUPAC Name:
2,2-dimethylbut-3-enyl methanesulfonate
InChI:
InChI=1S/C7H14O3S/c1-5-7(2,3)6-10-11(4,8)9/h5H,1,6H2,2-4H3
InChI Key:
SPSPGOSYWMPBHF-UHFFFAOYSA-N
SMILES:
C=CC(COS(=O)(=O)C)(C)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.066g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.246g/mol
Monoisotopic Mass:
178.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties