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823228-45-1 | 5(4H)-Oxazolone, 4-[(4,5-dimethyl-2-furanyl)methylene]-2-phenyl-, (4E)-
CAS No: 823228-45-1 Catalog No: AG005E18 MDL No:
Product Description
Catalog Number:
AG005E18
Chemical Name:
5(4H)-Oxazolone, 4-[(4,5-dimethyl-2-furanyl)methylene]-2-phenyl-, (4E)-
CAS Number:
823228-45-1
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
4-[(4,5-dimethylfuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C16H13NO3/c1-10-8-13(19-11(10)2)9-14-16(18)20-15(17-14)12-6-4-3-5-7-12/h3-9H,1-2H3
InChI Key:
SGCDFBDWVZOUAC-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=C/c1oc(c(c1)C)C)c1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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