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825622-34-2 | 1,2-Propanedione, 3,3-diethoxy-1-[4-(4-morpholinyl)phenyl]-
CAS No: 825622-34-2 Catalog No: AG004YK2 MDL No:
Product Description
Catalog Number:
AG004YK2
Chemical Name:
1,2-Propanedione, 3,3-diethoxy-1-[4-(4-morpholinyl)phenyl]-
CAS Number:
825622-34-2
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
IUPAC Name:
3,3-diethoxy-1-(4-morpholin-4-ylphenyl)propane-1,2-dione
InChI:
InChI=1S/C17H23NO5/c1-3-22-17(23-4-2)16(20)15(19)13-5-7-14(8-6-13)18-9-11-21-12-10-18/h5-8,17H,3-4,9-12H2,1-2H3
InChI Key:
MEHNFEAYZOAVCM-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)C(=O)c1ccc(cc1)N1CCOCC1)OCC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.373g/mol
Monoisotopic Mass:
321.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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