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93942-56-4 | 1-(4-cyanobutyl)-gamma-methyl-alpha,alpha-diphenylpyridinium hydrogen maleate
CAS No: 93942-56-4 Catalog No: AG00H0L4 MDL No:
Product Description
Catalog Number:
AG00H0L4
Chemical Name:
1-(4-cyanobutyl)-gamma-methyl-alpha,alpha-diphenylpyridinium hydrogen maleate
CAS Number:
93942-56-4
IUPAC Name:
(Z)-4-hydroxy-4-oxobut-2-enoate;5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile
InChI:
InChI=1S/C23H24N2.C4H4O4/c1-20-15-18-25(17-10-4-9-16-24)23(19-20,21-11-5-2-6-12-21)22-13-7-3-8-14-22;5-3(6)1-2-4(7)8/h2-3,5-8,11-15,18-19H,4,9-10,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
UOHJGSPJYBKRGT-BTJKTKAUSA-N
EC Number:
300-609-4
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
444.205g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.531g/mol
Monoisotopic Mass:
444.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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