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87696-42-2 | Oxazole, 2-(5-hexenyloxy)-4,5-diphenyl-
CAS No: 87696-42-2 Catalog No: AG004K7K MDL No:
Product Description
Catalog Number:
AG004K7K
Chemical Name:
Oxazole, 2-(5-hexenyloxy)-4,5-diphenyl-
CAS Number:
87696-42-2
Molecular Formula:
C21H21NO2
Molecular Weight:
319.3969
IUPAC Name:
2-hex-5-enoxy-4,5-diphenyl-1,3-oxazole
InChI:
InChI=1S/C21H21NO2/c1-2-3-4-11-16-23-21-22-19(17-12-7-5-8-13-17)20(24-21)18-14-9-6-10-15-18/h2,5-10,12-15H,1,3-4,11,16H2
InChI Key:
GGFKJMVQBFMXOW-UHFFFAOYSA-N
SMILES:
C=CCCCCOc1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.404g/mol
Monoisotopic Mass:
319.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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