Home Sulfos methyl 4-methanesulfonylbutanoate

methyl 4-methanesulfonylbutanoate

CAS No.:
67399-14-8
Catalog Number:
AG01AGXS
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
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Product Description
Catalog Number:
AG01AGXS
Chemical Name:
methyl 4-methanesulfonylbutanoate
CAS Number:
67399-14-8
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
MDL Number:
MFCD12823563
IUPAC Name:
methyl 4-methylsulfonylbutanoate
InChI:
InChI=1S/C6H12O4S/c1-10-6(7)4-3-5-11(2,8)9/h3-5H2,1-2H3
InChI Key:
AXBHSQJTKHWHLX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCS(=O)(=O)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.218g/mol
Monoisotopic Mass:
180.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties