Home Other Building Blocks 3-methanesulfinyl-2-methylpropanoic acid

3-methanesulfinyl-2-methylpropanoic acid

CAS No.:
1248666-78-5
Catalog Number:
AG01BEMU
Molecular Formula:
C5H10O3S
Molecular Weight:
150.1961
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Product Description
Catalog Number:
AG01BEMU
Chemical Name:
3-methanesulfinyl-2-methylpropanoic acid
CAS Number:
1248666-78-5
Molecular Formula:
C5H10O3S
Molecular Weight:
150.1961
MDL Number:
MFCD14613386
IUPAC Name:
2-methyl-3-methylsulfinylpropanoic acid
InChI:
InChI=1S/C5H10O3S/c1-4(5(6)7)3-9(2)8/h4H,3H2,1-2H3,(H,6,7)
InChI Key:
GMUYWEFEKTWXQE-UHFFFAOYSA-N
SMILES:
CS(=O)CC(C(=O)O)C
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.035g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.192g/mol
Monoisotopic Mass:
150.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties