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83734-41-2 | Pyridinium, 1-[2-(1,2-dihydro-2-oxo-6-quinolinyl)-2-oxoethyl]-, chloride
CAS No: 83734-41-2 Catalog No: AG004T5S MDL No:
Product Description
Catalog Number:
AG004T5S
Chemical Name:
Pyridinium, 1-[2-(1,2-dihydro-2-oxo-6-quinolinyl)-2-oxoethyl]-, chloride
CAS Number:
83734-41-2
Molecular Formula:
C16H13ClN2O2
Molecular Weight:
300.7396
IUPAC Name:
6-(2-pyridin-1-ium-1-ylacetyl)-1H-quinolin-2-one;chloride
InChI:
InChI=1S/C16H12N2O2.ClH/c19-15(11-18-8-2-1-3-9-18)13-4-6-14-12(10-13)5-7-16(20)17-14;/h1-10H,11H2;1H
InChI Key:
ISYWMIZFHCBDDC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)ccc(=O)[nH]2)C[n+]1ccccc1.[Cl-]
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.742g/mol
Monoisotopic Mass:
300.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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