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7270-83-9 | 7-acetoxy-1-methylquinoliniumiodide
CAS No: 7270-83-9 Catalog No: AG005PTJ MDL No:MFCD08444539
Product Description
Catalog Number:
AG005PTJ
Chemical Name:
7-acetoxy-1-methylquinoliniumiodide
CAS Number:
7270-83-9
Molecular Formula:
C12H12INO2
Molecular Weight:
329.1337
MDL Number:
MFCD08444539
IUPAC Name:
(1-methylquinolin-1-ium-7-yl) acetate;iodide
InChI:
InChI=1S/C12H12NO2.HI/c1-9(14)15-11-6-5-10-4-3-7-13(2)12(10)8-11;/h3-8H,1-2H3;1H/q+1;/p-1
InChI Key:
IFUAVRXVEJBLFI-UHFFFAOYSA-M
SMILES:
CC(=O)Oc1ccc2c(c1)[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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