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876-87-9 | Quinolinium, 1,2-dimethyl-, iodide
CAS No: 876-87-9 Catalog No: AG004NSO MDL No:
Product Description
Catalog Number:
AG004NSO
Chemical Name:
Quinolinium, 1,2-dimethyl-, iodide
CAS Number:
876-87-9
Molecular Formula:
C11H12IN
Molecular Weight:
285.1242
IUPAC Name:
1,2-dimethylquinolin-1-ium;iodide
InChI:
InChI=1S/C11H12N.HI/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;/h3-8H,1-2H3;1H/q+1;/p-1
InChI Key:
XXCFMHCLWHXDAV-UHFFFAOYSA-M
SMILES:
C[n+]1c(C)ccc2c1cccc2.[I-]
NSC Number:
4625
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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