Home Other Building Blocks 3-trifluoromethanesulfinylpropanoic acid

3-trifluoromethanesulfinylpropanoic acid

CAS No.:
1179038-30-2
Catalog Number:
AG01BDKQ
Molecular Formula:
C4H5F3O3S
Molecular Weight:
190.1409
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Product Description
Catalog Number:
AG01BDKQ
Chemical Name:
3-trifluoromethanesulfinylpropanoic acid
CAS Number:
1179038-30-2
Molecular Formula:
C4H5F3O3S
Molecular Weight:
190.1409
IUPAC Name:
3-(trifluoromethylsulfinyl)propanoic acid
InChI:
InChI=1S/C4H5F3O3S/c5-4(6,7)11(10)2-1-3(8)9/h1-2H2,(H,8,9)
InChI Key:
KCQSXFKLQCPMDM-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)C(F)(F)F
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.991g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.136g/mol
Monoisotopic Mass:
189.991g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties