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823228-46-2 | 5(4H)-Oxazolone, 4-(2-benzofuranylmethylene)-2-phenyl-, (4E)-
CAS No: 823228-46-2 Catalog No: AG00546A MDL No:
Product Description
Catalog Number:
AG00546A
Chemical Name:
5(4H)-Oxazolone, 4-(2-benzofuranylmethylene)-2-phenyl-, (4E)-
CAS Number:
823228-46-2
Molecular Formula:
C18H11NO3
Molecular Weight:
289.2848
IUPAC Name:
4-(1-benzofuran-2-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C18H11NO3/c20-18-15(19-17(22-18)12-6-2-1-3-7-12)11-14-10-13-8-4-5-9-16(13)21-14/h1-11H
InChI Key:
WRCDZJRCPKFZSD-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=C/c1cc2c(o1)cccc2)c1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.29g/mol
Monoisotopic Mass:
289.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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