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896713-21-6 | Pyridinium, 1-[2-oxo-2-(2-thiazolyl)ethyl]-, iodide
CAS No: 896713-21-6 Catalog No: AG0043HN MDL No:
Product Description
Catalog Number:
AG0043HN
Chemical Name:
Pyridinium, 1-[2-oxo-2-(2-thiazolyl)ethyl]-, iodide
CAS Number:
896713-21-6
Molecular Formula:
C10H9IN2OS
Molecular Weight:
332.1607
IUPAC Name:
2-pyridin-1-ium-1-yl-1-(1,3-thiazol-2-yl)ethanone;iodide
InChI:
InChI=1S/C10H9N2OS.HI/c13-9(10-11-4-7-14-10)8-12-5-2-1-3-6-12;/h1-7H,8H2;1H/q+1;/p-1
InChI Key:
HXXAXQJTIHPWGR-UHFFFAOYSA-M
SMILES:
O=C(c1nccs1)C[n+]1ccccc1.[I-]
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.159g/mol
Monoisotopic Mass:
331.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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