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797039-85-1

797039-85-1 | Quinolinium, 6-cyano-1,2-dimethyl-, iodide

CAS No: 797039-85-1 Catalog No: AG0056D5 MDL No:

Product Description

Catalog Number:
AG0056D5
Chemical Name:
Quinolinium, 6-cyano-1,2-dimethyl-, iodide
CAS Number:
797039-85-1
Molecular Formula:
C12H11IN2
Molecular Weight:
310.1336
IUPAC Name:
1,2-dimethylquinolin-1-ium-6-carbonitrile;iodide
InChI:
InChI=1S/C12H11N2.HI/c1-9-3-5-11-7-10(8-13)4-6-12(11)14(9)2;/h3-7H,1-2H3;1H/q+1;/p-1
InChI Key:
XWCKGKIUOBXYFW-UHFFFAOYSA-M
SMILES:
N#Cc1ccc2c(c1)ccc([n+]2C)C.[I-]

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.997g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.138g/mol
Monoisotopic Mass:
309.997g/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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