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105654-04-4 | Quinolinium, 5,6,7,8-tetrahydro-1,3-dimethyl-8-oxo-, iodide
CAS No: 105654-04-4 Catalog No: AG00846U MDL No:
Product Description
Catalog Number:
AG00846U
Chemical Name:
Quinolinium, 5,6,7,8-tetrahydro-1,3-dimethyl-8-oxo-, iodide
CAS Number:
105654-04-4
Molecular Formula:
C11H14INO
Molecular Weight:
303.1394
IUPAC Name:
1,3-dimethyl-6,7-dihydro-5H-quinolin-1-ium-8-one;iodide
InChI:
InChI=1S/C11H14NO.HI/c1-8-6-9-4-3-5-10(13)11(9)12(2)7-8;/h6-7H,3-5H2,1-2H3;1H/q+1;/p-1
InChI Key:
XNOTZLQOHDPCSE-UHFFFAOYSA-M
SMILES:
C[n+]1cc(C)cc2c1C(=O)CCC2.[I-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.143g/mol
Monoisotopic Mass:
303.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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