Home Sulfos 3-methanesulfonyl-2,2-dimethylpropanoic acid

3-methanesulfonyl-2,2-dimethylpropanoic acid

CAS No.:
5324-67-4
Catalog Number:
AG018S63
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
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Product Description
Catalog Number:
AG018S63
Chemical Name:
3-methanesulfonyl-2,2-dimethylpropanoic acid
CAS Number:
5324-67-4
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
MDL Number:
MFCD20639949
IUPAC Name:
2,2-dimethyl-3-methylsulfonylpropanoic acid
InChI:
InChI=1S/C6H12O4S/c1-6(2,5(7)8)4-11(3,9)10/h4H2,1-3H3,(H,7,8)
InChI Key:
FHYVGPXHEONOBH-UHFFFAOYSA-N
SMILES:
OC(=O)C(CS(=O)(=O)C)(C)C
NSC Number:
2717
Properties
Complexity:
244  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
180.218g/mol
Monoisotopic Mass:
180.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties