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141676-22-4

141676-22-4 | Propanoic acid, 2-methyl-3-[(methylsulfonyl)oxy]-

CAS No: 141676-22-4 Catalog No: AG001GV8 MDL No:

Product Description

Catalog Number:
AG001GV8
Chemical Name:
Propanoic acid, 2-methyl-3-[(methylsulfonyl)oxy]-
CAS Number:
141676-22-4
Molecular Formula:
C5H10O5S
Molecular Weight:
182.1949
IUPAC Name:
2-methyl-3-methylsulfonyloxypropanoic acid
InChI:
InChI=1S/C5H10O5S/c1-4(5(6)7)3-10-11(2,8)9/h4H,3H2,1-2H3,(H,6,7)
InChI Key:
OJICEPVUXCNBFG-UHFFFAOYSA-N
SMILES:
OC(=O)C(COS(=O)(=O)C)C

Properties

Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.19g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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