1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile;oxalic acid


Chemical Name: 1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile;oxalic acid
CAS Number: 1093072-86-6
Product Number: AG008W1D(AGN-PC-07Y4H2)
Synonyms:
MDL No:
Molecular Formula: C22H24N2O5
Molecular Weight: 396.43636

Identification/Properties


Computed Properties
Molecular Weight:
396.443g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
396.169g/mol
Monoisotopic Mass:
396.169g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
506
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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