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827019-08-9 | 5(4H)-Isoxazolone, 4,4'-[oxybis(methylene)]bis[3-phenyl-
CAS No: 827019-08-9 Catalog No: AG008JS1 MDL No:
Product Description
Catalog Number:
AG008JS1
Chemical Name:
5(4H)-Isoxazolone, 4,4'-[oxybis(methylene)]bis[3-phenyl-
CAS Number:
827019-08-9
Molecular Formula:
C20H16N2O5
Molecular Weight:
364.3514
IUPAC Name:
4-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)methoxymethyl]-3-phenyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C20H16N2O5/c23-19-15(17(21-26-19)13-7-3-1-4-8-13)11-25-12-16-18(22-27-20(16)24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChI Key:
DTQAZGBZCNTAFB-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1COCC1C(=O)ON=C1c1ccccc1)c1ccccc1
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.106g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.357g/mol
Monoisotopic Mass:
364.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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