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145283-66-5 | 5-Thiazolidinecarboxylic acid, 2-oxo-
CAS No: 145283-66-5 Catalog No: AG001KQR MDL No:MFCD18822176
Product Description
Catalog Number:
AG001KQR
Chemical Name:
5-Thiazolidinecarboxylic acid, 2-oxo-
CAS Number:
145283-66-5
Molecular Formula:
C4H5NO3S
Molecular Weight:
147.1524
MDL Number:
MFCD18822176
IUPAC Name:
2-oxo-1,3-thiazolidine-5-carboxylic acid
InChI:
InChI=1S/C4H5NO3S/c6-3(7)2-1-5-4(8)9-2/h2H,1H2,(H,5,8)(H,6,7)
InChI Key:
XAUYBXHQDHHHGE-UHFFFAOYSA-N
SMILES:
O=C1NCC(S1)C(=O)O
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
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