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102584-06-5 | Pyridinium, 1-methyl-3-[(1-methylethoxy)carbonyl]-, iodide (1:1)
CAS No: 102584-06-5 Catalog No: AG0007TN MDL No:
Product Description
Catalog Number:
AG0007TN
Chemical Name:
Pyridinium, 1-methyl-3-[(1-methylethoxy)carbonyl]-, iodide (1:1)
CAS Number:
102584-06-5
Molecular Formula:
C10H14INO2
Molecular Weight:
307.1281
IUPAC Name:
propan-2-yl 1-methylpyridin-1-ium-3-carboxylate;iodide
InChI:
InChI=1S/C10H14NO2.HI/c1-8(2)13-10(12)9-5-4-6-11(3)7-9;/h4-8H,1-3H3;1H/q+1;/p-1
InChI Key:
GTCHKMICAONBBZ-UHFFFAOYSA-M
SMILES:
CC(OC(=O)c1ccc[n+](c1)C)C.[I-]
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.131g/mol
Monoisotopic Mass:
307.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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