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32431-36-0 | 2,3-Dimethylisoquinolin-2-ium iodide
CAS No: 32431-36-0 Catalog No: AG01EUX0 MDL No:
Product Description
Catalog Number:
AG01EUX0
Chemical Name:
2,3-Dimethylisoquinolin-2-ium iodide
CAS Number:
32431-36-0
Molecular Formula:
C11H12IN
Molecular Weight:
285.1242
IUPAC Name:
2,3-dimethylisoquinolin-2-ium;iodide
InChI:
InChI=1S/C11H12N.HI/c1-9-7-10-5-3-4-6-11(10)8-12(9)2;/h3-8H,1-2H3;1H/q+1;/p-1
InChI Key:
ISQIDWCECHFQPP-UHFFFAOYSA-M
SMILES:
Cc1cc2ccccc2c[n+]1C.[I-]
NSC Number:
18848
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.128g/mol
Monoisotopic Mass:
285.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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