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80356-35-0 | Pyridinium, 1-(1,2-dihydro-4-methyl-2-oxo-3-quinolinyl)-, chloride
CAS No: 80356-35-0 Catalog No: AG0053N9 MDL No:
Product Description
Catalog Number:
AG0053N9
Chemical Name:
Pyridinium, 1-(1,2-dihydro-4-methyl-2-oxo-3-quinolinyl)-, chloride
CAS Number:
80356-35-0
Molecular Formula:
C15H13ClN2O
Molecular Weight:
272.7295
IUPAC Name:
4-methyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one;chloride
InChI:
InChI=1S/C15H12N2O.ClH/c1-11-12-7-3-4-8-13(12)16-15(18)14(11)17-9-5-2-6-10-17;/h2-10H,1H3;1H
InChI Key:
CSWMGTDELBXZHQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c(c1[n+]1ccccc1)C.[Cl-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.732g/mol
Monoisotopic Mass:
272.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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