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2240-71-3 | Pyridinium,2-[2-(8-hydroxy-2-quinolinyl)ethenyl]-1-methyl-, chloride (1:1)
CAS No: 2240-71-3 Catalog No: AG006Y01 MDL No:
Product Description
Catalog Number:
AG006Y01
Chemical Name:
Pyridinium,2-[2-(8-hydroxy-2-quinolinyl)ethenyl]-1-methyl-, chloride (1:1)
CAS Number:
2240-71-3
Molecular Formula:
C17H15ClN2O
Molecular Weight:
298.7668
IUPAC Name:
2-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol;chloride
InChI:
InChI=1S/C17H14N2O.ClH/c1-19-12-3-2-6-15(19)11-10-14-9-8-13-5-4-7-16(20)17(13)18-14;/h2-12H,1H3;1H
InChI Key:
BYHUUEMAOFMBQK-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1nc(cc2)C=Cc1cccc[n+]1C.[Cl-]
UNII:
SB3H4QZN25
NSC Number:
79546
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
298.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.77g/mol
Monoisotopic Mass:
298.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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