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28710-34-1 | Pyridinium, 1,2,5-trimethyl-, iodide (1:1)
CAS No: 28710-34-1 Catalog No: AG002W78 MDL No:
Product Description
Catalog Number:
AG002W78
Chemical Name:
Pyridinium, 1,2,5-trimethyl-, iodide (1:1)
CAS Number:
28710-34-1
Molecular Formula:
C8H12IN
Molecular Weight:
249.0921
IUPAC Name:
1,2,5-trimethylpyridin-1-ium;iodide
InChI:
InChI=1S/C8H12N.HI/c1-7-4-5-8(2)9(3)6-7;/h4-6H,1-3H3;1H/q+1;/p-1
InChI Key:
ZDGZYMLMVUEBMQ-UHFFFAOYSA-M
SMILES:
Cc1ccc([n+](c1)C)C.[I-]
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.001g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.095g/mol
Monoisotopic Mass:
249.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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