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116459-65-5 | Pyridinium, 2,5-bis(methoxycarbonyl)-1-methyl-, iodide (1:1)
CAS No: 116459-65-5 Catalog No: AG000CJV MDL No:
Product Description
Catalog Number:
AG000CJV
Chemical Name:
Pyridinium, 2,5-bis(methoxycarbonyl)-1-methyl-, iodide (1:1)
CAS Number:
116459-65-5
Molecular Formula:
C10H12INO4
Molecular Weight:
337.1110
IUPAC Name:
dimethyl 1-methylpyridin-1-ium-2,5-dicarboxylate;iodide
InChI:
InChI=1S/C10H12NO4.HI/c1-11-6-7(9(12)14-2)4-5-8(11)10(13)15-3;/h4-6H,1-3H3;1H/q+1;/p-1
InChI Key:
YXONAGYRVQVOMK-UHFFFAOYSA-M
SMILES:
COC(=O)c1ccc([n+](c1)C)C(=O)OC.[I-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.981g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.113g/mol
Monoisotopic Mass:
336.981g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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