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896713-22-7 | Pyridinium, 1-[2-(4-methyl-2-thiazolyl)-2-oxoethyl]-, iodide
CAS No: 896713-22-7 Catalog No: AG0088I9 MDL No:
Product Description
Catalog Number:
AG0088I9
Chemical Name:
Pyridinium, 1-[2-(4-methyl-2-thiazolyl)-2-oxoethyl]-, iodide
CAS Number:
896713-22-7
Molecular Formula:
C11H11IN2OS
Molecular Weight:
346.1873
IUPAC Name:
1-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-1-ium-1-ylethanone;iodide
InChI:
InChI=1S/C11H11N2OS.HI/c1-9-8-15-11(12-9)10(14)7-13-5-3-2-4-6-13;/h2-6,8H,7H2,1H3;1H/q+1;/p-1
InChI Key:
PJSLZBMRCRLALN-UHFFFAOYSA-M
SMILES:
Cc1csc(n1)C(=O)C[n+]1ccccc1.[I-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.186g/mol
Monoisotopic Mass:
345.964g/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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