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15342-57-1 | 5(4H)-Oxazolone,4-[[3,4-bis(phenylmethoxy)phenyl]methylene]-2-phenyl-
CAS No: 15342-57-1 Catalog No: AG007I8W MDL No:
Product Description
Catalog Number:
AG007I8W
Chemical Name:
5(4H)-Oxazolone,4-[[3,4-bis(phenylmethoxy)phenyl]methylene]-2-phenyl-
CAS Number:
15342-57-1
Molecular Formula:
C30H23NO4
Molecular Weight:
461.5079
IUPAC Name:
4-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C30H23NO4/c32-30-26(31-29(35-30)25-14-8-3-9-15-25)18-24-16-17-27(33-20-22-10-4-1-5-11-22)28(19-24)34-21-23-12-6-2-7-13-23/h1-19H,20-21H2
InChI Key:
NIEPOSGFJWLXAW-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cc1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)c1ccccc1
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.163g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.517g/mol
Monoisotopic Mass:
461.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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