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Home > Nitro Compounds > 145283-22-3
145283-22-3 | 4-Thiazolidinecarboxamide, N-[2-(nitrooxy)ethyl]-2-oxo-, (4R)-
CAS No: 145283-22-3 Catalog No: AG001KQT MDL No:
Product Description
Catalog Number:
AG001KQT
Chemical Name:
4-Thiazolidinecarboxamide, N-[2-(nitrooxy)ethyl]-2-oxo-, (4R)-
CAS Number:
145283-22-3
Molecular Formula:
C6H9N3O5S
Molecular Weight:
235.2178
IUPAC Name:
2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]ethyl nitrate
InChI:
InChI=1S/C6H9N3O5S/c10-5(4-3-15-6(11)8-4)7-1-2-14-9(12)13/h4H,1-3H2,(H,7,10)(H,8,11)
InChI Key:
WSPFZJVPRYXFFX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OCCNC(=O)[C@@H]1CSC(=O)N1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.214g/mol
Monoisotopic Mass:
235.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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