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125790-06-9 | Benzamide, 2-methoxy-N-[3-(4-morpholinyl)propyl]-, ethanedioate (1:1)
CAS No: 125790-06-9 Catalog No: AG000OR4 MDL No:
Product Description
Catalog Number:
AG000OR4
Chemical Name:
Benzamide, 2-methoxy-N-[3-(4-morpholinyl)propyl]-, ethanedioate (1:1)
CAS Number:
125790-06-9
Molecular Formula:
C17H24N2O7
Molecular Weight:
368.3817
IUPAC Name:
2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide;oxalic acid
InChI:
InChI=1S/C15H22N2O3.C2H2O4/c1-19-14-6-3-2-5-13(14)15(18)16-7-4-8-17-9-11-20-12-10-17;3-1(4)2(5)6/h2-3,5-6H,4,7-12H2,1H3,(H,16,18);(H,3,4)(H,5,6)
InChI Key:
KKUGFDULKZEDJG-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.COc1ccccc1C(=O)NCCCN1CCOCC1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
368.386g/mol
Monoisotopic Mass:
368.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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