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50741-48-5 | Quinolinium, 3-cyano-1-methyl-, iodide
CAS No: 50741-48-5 Catalog No: AG006W5T MDL No:MFCD00797092
Product Description
Catalog Number:
AG006W5T
Chemical Name:
Quinolinium, 3-cyano-1-methyl-, iodide
CAS Number:
50741-48-5
Molecular Formula:
C11H9IN2
Molecular Weight:
296.1070
MDL Number:
MFCD00797092
IUPAC Name:
1-methylquinolin-1-ium-3-carbonitrile;iodide
InChI:
InChI=1S/C11H9N2.HI/c1-13-8-9(7-12)6-10-4-2-3-5-11(10)13;/h2-6,8H,1H3;1H/q+1;/p-1
InChI Key:
KVHYKIQVJKICHT-UHFFFAOYSA-M
SMILES:
N#Cc1c[n+](C)c2c(c1)cccc2.[I-]
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.111g/mol
Monoisotopic Mass:
295.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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