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80490-41-1 | 5(4H)-Isoxazolone, 4-hydroxy-3,4-diphenyl-
CAS No: 80490-41-1 Catalog No: AG005KXU MDL No:
Product Description
Catalog Number:
AG005KXU
Chemical Name:
5(4H)-Isoxazolone, 4-hydroxy-3,4-diphenyl-
CAS Number:
80490-41-1
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
4-hydroxy-3,4-diphenyl-1,2-oxazol-5-one
InChI:
InChI=1S/C15H11NO3/c17-14-15(18,12-9-5-2-6-10-12)13(16-19-14)11-7-3-1-4-8-11/h1-10,18H
InChI Key:
GUTVOSUOANPEOB-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1(O)c1ccccc1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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