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7278-17-3 | Quinolinium, 8-(acetyloxy)-1-methyl-, iodide
CAS No: 7278-17-3 Catalog No: AG005F0W MDL No:
Product Description
Catalog Number:
AG005F0W
Chemical Name:
Quinolinium, 8-(acetyloxy)-1-methyl-, iodide
CAS Number:
7278-17-3
Molecular Formula:
C12H12INO2
Molecular Weight:
329.1337
IUPAC Name:
(1-methylquinolin-1-ium-8-yl) acetate;iodide
InChI:
InChI=1S/C12H12NO2.HI/c1-9(14)15-11-7-3-5-10-6-4-8-13(2)12(10)11;/h3-8H,1-2H3;1H/q+1;/p-1
InChI Key:
GIOZQLMYCDSONE-UHFFFAOYSA-M
SMILES:
CC(=O)Oc1cccc2c1[n+](C)ccc2.[I-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.137g/mol
Monoisotopic Mass:
328.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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