Home Carboxys 3-(2-carboxyethanesulfinyl)propanoic acid

3-(2-carboxyethanesulfinyl)propanoic acid

CAS No.:
3680-08-8
Catalog Number:
AG01ACJB
Molecular Formula:
C6H10O5S
Molecular Weight:
194.2056
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Product Description
Catalog Number:
AG01ACJB
Chemical Name:
3-(2-carboxyethanesulfinyl)propanoic acid
CAS Number:
3680-08-8
Molecular Formula:
C6H10O5S
Molecular Weight:
194.2056
MDL Number:
MFCD02578993
IUPAC Name:
3-(2-carboxyethylsulfinyl)propanoic acid
InChI:
InChI=1S/C6H10O5S/c7-5(8)1-3-12(11)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChI Key:
UXDHDPFGSDSRPS-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)CCC(=O)O
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.201g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties