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21326-96-5 | α-[5-(p-Methoxyphenyl)-3-p-tolyl-2-isoxazolin-5-yl]-4'-methylacetophenone
CAS No: 21326-96-5 Catalog No: AG00CBAO MDL No:
Product Description
Catalog Number:
AG00CBAO
Chemical Name:
α-[5-(p-Methoxyphenyl)-3-p-tolyl-2-isoxazolin-5-yl]-4'-methylacetophenone
CAS Number:
21326-96-5
IUPAC Name:
2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4H-1,2-oxazol-5-yl]-1-(4-methylphenyl)ethanone
InChI:
InChI=1S/C26H25NO3/c1-18-4-8-20(9-5-18)24-16-26(30-27-24,22-12-14-23(29-3)15-13-22)17-25(28)21-10-6-19(2)7-11-21/h4-15H,16-17H2,1-3H3
InChI Key:
IBFPATKLGQHULZ-UHFFFAOYSA-N
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.183g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.49g/mol
Monoisotopic Mass:
399.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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