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84198-58-3 | Isoxazole, 4,4'-methylenebis[3-methyl-5-phenyl-
CAS No: 84198-58-3 Catalog No: AG008GNY MDL No:
Product Description
Catalog Number:
AG008GNY
Chemical Name:
Isoxazole, 4,4'-methylenebis[3-methyl-5-phenyl-
CAS Number:
84198-58-3
Molecular Formula:
C21H18N2O2
Molecular Weight:
330.3798
IUPAC Name:
3-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C21H18N2O2/c1-14-18(20(24-22-14)16-9-5-3-6-10-16)13-19-15(2)23-25-21(19)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3
InChI Key:
WQFYJBMZDDVDOW-UHFFFAOYSA-N
SMILES:
Cc1noc(c1Cc1c(C)noc1c1ccccc1)c1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.387g/mol
Monoisotopic Mass:
330.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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