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68612-95-3 | 5-[3-(5-cyano-1-hexyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene]-1-hexyl-1,2,5,6-tetrahydro-4-methyl-2,6-dioxonicotinonitrile, ammonium salt
CAS No: 68612-95-3 Catalog No: AG00FMDR MDL No:
Product Description
Catalog Number:
AG00FMDR
Chemical Name:
5-[3-(5-cyano-1-hexyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene]-1-hexyl-1,2,5,6-tetrahydro-4-methyl-2,6-dioxonicotinonitrile, ammonium salt
CAS Number:
68612-95-3
IUPAC Name:
azanium;5-cyano-3-[(E,3Z)-3-(5-cyano-1-hexyl-4-methyl-2,6-dioxopyridin-3-ylidene)prop-1-enyl]-1-hexyl-4-methyl-6-oxopyridin-2-olate
InChI:
InChI=1S/C29H36N4O4.H3N/c1-5-7-9-11-16-32-26(34)22(20(3)24(18-30)28(32)36)14-13-15-23-21(4)25(19-31)29(37)33(27(23)35)17-12-10-8-6-2;/h13-15,34H,5-12,16-17H2,1-4H3;1H3/b14-13+,23-15-;
InChI Key:
NCIINKBTEAJJFH-OJJCFAEVSA-N
EC Number:
271-910-5
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
521.3g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
521.662g/mol
Monoisotopic Mass:
521.3g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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