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7-methoxy-2-methyl-isoquinoline 53366-09-9 98%
Identification and Related Records
【Name】
7-methoxy-2-methylisoquinolinium
【Iupac name】
7-methoxy-2-methylisoquinolin-2-ium iodide
【CAS Registry number】
53366-09-9
【Synonyms】
NSC143256
NSC-143256
53366-09-9
【Molecular Formula】
C11H12NO (Products with the same molecular formula)
【Molecular Weight】
174.2185
【Inchi】
InChI=1/C11H12NO/c1-12-6-5-9-3-4-11(13-2)7-10(9)8-12/h3-8H,1-2H3/q+1
【Canonical SMILES】
C[N+]1=CC2=C(C=CC(=C2)OC)C=C1.[I-]
【MOL File】
53366-09-9.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:301.12355 [g/mol]
Molecular Formula:C11H12INO
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:300.996357
MonoIsotopic Mass:300.996357
Topological Polar Surface Area:13.1
Heavy Atom Count:14
Formal Charge:0
Complexity:172
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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