Home Carboxys 4-Thiazolidinecarboxylic acid, 2-oxo-

4-Thiazolidinecarboxylic acid, 2-oxo-

CAS No.:
19750-45-9
Catalog Number:
AG002AU5
Molecular Formula:
C4H5NO3S
Molecular Weight:
147.1524
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Product Description
Catalog Number:
AG002AU5
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-oxo-
CAS Number:
19750-45-9
Molecular Formula:
C4H5NO3S
Molecular Weight:
147.1524
MDL Number:
MFCD00010636
IUPAC Name:
2-oxo-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)
InChI Key:
BMLMGCPTLHPWPY-UHFFFAOYSA-N
SMILES:
O=C1SCC(N1)C(=O)O
NSC Number:
342431
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.999g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
147.148g/mol
Monoisotopic Mass:
146.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
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Properties