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90183-06-5 | Benzamide, N-1-azabicyclo[2.2.2]oct-3-yl-2,4-dimethoxy-, ethanedioate(1:1)
CAS No: 90183-06-5 Catalog No: AG006H1Q MDL No:
Product Description
Catalog Number:
AG006H1Q
Chemical Name:
Benzamide, N-1-azabicyclo[2.2.2]oct-3-yl-2,4-dimethoxy-, ethanedioate(1:1)
CAS Number:
90183-06-5
Molecular Formula:
C18H24N2O7
Molecular Weight:
380.3924
IUPAC Name:
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dimethoxybenzamide;oxalic acid
InChI:
InChI=1S/C16H22N2O3.C2H2O4/c1-20-12-3-4-13(15(9-12)21-2)16(19)17-14-10-18-7-5-11(14)6-8-18;3-1(4)2(5)6/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
InChI Key:
JUHRFLWNWFVJEW-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.COc1cc(OC)ccc1C(=O)NC1CN2CCC1CC2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
380.397g/mol
Monoisotopic Mass:
380.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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