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54606-04-1 | 4,5-Dihydro-3,4-diphenylisoxazol-5-yl(phenyl) ketone
CAS No: 54606-04-1 Catalog No: AG00DUHN MDL No:
Product Description
Catalog Number:
AG00DUHN
Chemical Name:
4,5-Dihydro-3,4-diphenylisoxazol-5-yl(phenyl) ketone
CAS Number:
54606-04-1
IUPAC Name:
(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone
InChI:
InChI=1S/C22H17NO2/c24-21(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)20(23-25-22)17-12-6-2-7-13-17/h1-15,19,22H
InChI Key:
FCGCZYILUOHFKY-UHFFFAOYSA-N
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.383g/mol
Monoisotopic Mass:
327.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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