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19518-27-5 | 3-Methyl-N-[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]pyridinium chloride
CAS No: 19518-27-5 Catalog No: AG00I3D9 MDL No:
Product Description
Catalog Number:
AG00I3D9
Chemical Name:
3-Methyl-N-[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]pyridinium chloride
CAS Number:
19518-27-5
IUPAC Name:
(E)-1-(4-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one;chloride
InChI:
InChI=1S/C16H16NO.ClH/c1-13-5-7-15(8-6-13)16(18)9-11-17-10-3-4-14(2)12-17;/h3-12H,1-2H3;1H/q+1;/p-1/b11-9+;
InChI Key:
UPCFJDXXOOYITQ-LBEJWNQZSA-M
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
273.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.76g/mol
Monoisotopic Mass:
273.092g/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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