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86251-49-2 | Pyridinium, 4-methoxy-2-(methoxycarbonyl)-1-methyl-, iodide
CAS No: 86251-49-2 Catalog No: AG004JRI MDL No:
Product Description
Catalog Number:
AG004JRI
Chemical Name:
Pyridinium, 4-methoxy-2-(methoxycarbonyl)-1-methyl-, iodide
CAS Number:
86251-49-2
Molecular Formula:
C9H12INO3
Molecular Weight:
309.1010
IUPAC Name:
methyl 4-methoxy-1-methylpyridin-1-ium-2-carboxylate;iodide
InChI:
InChI=1S/C9H12NO3.HI/c1-10-5-4-7(12-2)6-8(10)9(11)13-3;/h4-6H,1-3H3;1H/q+1;/p-1
InChI Key:
KBURADUTNKNWKB-UHFFFAOYSA-M
SMILES:
COc1cc[n+](c(c1)C(=O)OC)C.[I-]
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.103g/mol
Monoisotopic Mass:
308.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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