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112175-82-3 | 5(2H)-Isoxazolone, 2-(1,1-dimethylethyl)-3,4-diphenyl-
CAS No: 112175-82-3 Catalog No: AG0083AJ MDL No:
Product Description
Catalog Number:
AG0083AJ
Chemical Name:
5(2H)-Isoxazolone, 2-(1,1-dimethylethyl)-3,4-diphenyl-
CAS Number:
112175-82-3
Molecular Formula:
C19H19NO2
Molecular Weight:
293.3597
IUPAC Name:
2-tert-butyl-3,4-diphenyl-1,2-oxazol-5-one
InChI:
InChI=1S/C19H19NO2/c1-19(2,3)20-17(15-12-8-5-9-13-15)16(18(21)22-20)14-10-6-4-7-11-14/h4-13H,1-3H3
InChI Key:
ZPLPXDIYINYNJN-UHFFFAOYSA-N
SMILES:
O=c1on(c(c1c1ccccc1)c1ccccc1)C(C)(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.366g/mol
Monoisotopic Mass:
293.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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