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19518-26-4 | 3-Methyl-N-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]pyridinium chloride
CAS No: 19518-26-4 Catalog No: AG00I3D8 MDL No:
Product Description
Catalog Number:
AG00I3D8
Chemical Name:
3-Methyl-N-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]pyridinium chloride
CAS Number:
19518-26-4
IUPAC Name:
(E)-3-(3-methylpyridin-1-ium-1-yl)-1-phenylprop-2-en-1-one;chloride
InChI:
InChI=1S/C15H14NO.ClH/c1-13-6-5-10-16(12-13)11-9-15(17)14-7-3-2-4-8-14;/h2-12H,1H3;1H/q+1;/p-1/b11-9+;
InChI Key:
DOOXBWBAALWZCH-LBEJWNQZSA-M
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.733g/mol
Monoisotopic Mass:
259.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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