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82946-71-2 | Oxazole, 2-[1,1'-biphenyl]-3-yl-4,5-dihydro-4,4-dimethyl-
CAS No: 82946-71-2 Catalog No: AG004YZ6 MDL No:
Product Description
Catalog Number:
AG004YZ6
Chemical Name:
Oxazole, 2-[1,1'-biphenyl]-3-yl-4,5-dihydro-4,4-dimethyl-
CAS Number:
82946-71-2
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
4,4-dimethyl-2-(3-phenylphenyl)-5H-1,3-oxazole
InChI:
InChI=1S/C17H17NO/c1-17(2)12-19-16(18-17)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChI Key:
IERMNMNELHRBMP-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1cccc(c1)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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