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1080601-76-8 | 1-(4-Methoxyphenyl)-3-(3-methylpyridinium-1-yl)prop-2-en-1-one chloride
CAS No: 1080601-76-8 Catalog No: AG00HB2D MDL No:
Product Description
Catalog Number:
AG00HB2D
Chemical Name:
1-(4-Methoxyphenyl)-3-(3-methylpyridinium-1-yl)prop-2-en-1-one chloride
CAS Number:
1080601-76-8
IUPAC Name:
(E)-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one;chloride
InChI:
InChI=1S/C16H16NO2.ClH/c1-13-4-3-10-17(12-13)11-9-16(18)14-5-7-15(19-2)8-6-14;/h3-12H,1-2H3;1H/q+1;/p-1/b11-9+;
InChI Key:
ZHCHAVDUXZBIQK-LBEJWNQZSA-M
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
289.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.759g/mol
Monoisotopic Mass:
289.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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