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148462-22-0 | 5(4H)-Isoxazolone, 4-(4-methylbenzoyl)-3-phenyl-
CAS No: 148462-22-0 Catalog No: AG006U6Q MDL No:
Product Description
Catalog Number:
AG006U6Q
Chemical Name:
5(4H)-Isoxazolone, 4-(4-methylbenzoyl)-3-phenyl-
CAS Number:
148462-22-0
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
4-(4-methylbenzoyl)-3-phenyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C17H13NO3/c1-11-7-9-13(10-8-11)16(19)14-15(18-21-17(14)20)12-5-3-2-4-6-12/h2-10,14H,1H3
InChI Key:
YWFYLTGVTIDHRL-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1C(=O)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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