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87696-40-0 | 2(5H)-Oxazolone, 5-(2-furanylmethyl)-4,5-diphenyl-
CAS No: 87696-40-0 Catalog No: AG004K7L MDL No:
Product Description
Catalog Number:
AG004K7L
Chemical Name:
2(5H)-Oxazolone, 5-(2-furanylmethyl)-4,5-diphenyl-
CAS Number:
87696-40-0
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
IUPAC Name:
5-(furan-2-ylmethyl)-4,5-diphenyl-1,3-oxazol-2-one
InChI:
InChI=1S/C20H15NO3/c22-19-21-18(15-8-3-1-4-9-15)20(24-19,14-17-12-7-13-23-17)16-10-5-2-6-11-16/h1-13H,14H2
InChI Key:
NNVMQLXDGVHVFW-UHFFFAOYSA-N
SMILES:
O=C1N=C(C(O1)(Cc1ccco1)c1ccccc1)c1ccccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.344g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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