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139395-94-1 | Isoxazole, 5-methyl-3-phenyl-4-(phenylmethyl)-
CAS No: 139395-94-1 Catalog No: AG001AXU MDL No:
Product Description
Catalog Number:
AG001AXU
Chemical Name:
Isoxazole, 5-methyl-3-phenyl-4-(phenylmethyl)-
CAS Number:
139395-94-1
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
4-benzyl-5-methyl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C17H15NO/c1-13-16(12-14-8-4-2-5-9-14)17(18-19-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChI Key:
SIXLWQCEAXLZHT-UHFFFAOYSA-N
SMILES:
Cc1onc(c1Cc1ccccc1)c1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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