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194734-66-2 | 3(2H)-Isoxazolone, 5-methyl-2-(1-methyl-1-phenylethyl)-4-phenyl-
CAS No: 194734-66-2 Catalog No: AG0074IH MDL No:
Product Description
Catalog Number:
AG0074IH
Chemical Name:
3(2H)-Isoxazolone, 5-methyl-2-(1-methyl-1-phenylethyl)-4-phenyl-
CAS Number:
194734-66-2
Molecular Formula:
C19H19NO2
Molecular Weight:
293.3597
IUPAC Name:
5-methyl-4-phenyl-2-(2-phenylpropan-2-yl)-1,2-oxazol-3-one
InChI:
InChI=1S/C19H19NO2/c1-14-17(15-10-6-4-7-11-15)18(21)20(22-14)19(2,3)16-12-8-5-9-13-16/h4-13H,1-3H3
InChI Key:
FJWSGPFECSVPBJ-UHFFFAOYSA-N
SMILES:
Cc1on(c(=O)c1c1ccccc1)C(c1ccccc1)(C)C
Properties
Complexity:
454
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:
2
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
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