Home Sulfos 2-methanesulfonylpropanoic acid

2-methanesulfonylpropanoic acid

CAS No.:
809280-27-1
Catalog Number:
AG019N4W
Molecular Formula:
C4H8O4S
Molecular Weight:
152.1689
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Product Description
Catalog Number:
AG019N4W
Chemical Name:
2-methanesulfonylpropanoic acid
CAS Number:
809280-27-1
Molecular Formula:
C4H8O4S
Molecular Weight:
152.1689
IUPAC Name:
2-methylsulfonylpropanoic acid
InChI:
InChI=1S/C4H8O4S/c1-3(4(5)6)9(2,7)8/h3H,1-2H3,(H,5,6)
InChI Key:
RBKUOSVTNSIAAB-UHFFFAOYSA-N
SMILES:
OC(=O)C(S(=O)(=O)C)C
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.014g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.164g/mol
Monoisotopic Mass:
152.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties