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89114-07-8 | 5(4H)-Isoxazolone, 4-[(2-ethoxyphenyl)methylene]-3-phenyl-
CAS No: 89114-07-8 Catalog No: AG003ZR6 MDL No:
Product Description
Catalog Number:
AG003ZR6
Chemical Name:
5(4H)-Isoxazolone, 4-[(2-ethoxyphenyl)methylene]-3-phenyl-
CAS Number:
89114-07-8
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
4-[(2-ethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
InChI:
InChI=1S/C18H15NO3/c1-2-21-16-11-7-6-10-14(16)12-15-17(19-22-18(15)20)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChI Key:
HGEKAWNQINYDMD-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1C=C1C(=O)ON=C1c1ccccc1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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