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1017-10-3 | 5-Butyl-3-phenylisoxazole
CAS No: 1017-10-3 Catalog No: AG009N6K MDL No:
Product Description
Catalog Number:
AG009N6K
Chemical Name:
5-Butyl-3-phenylisoxazole
CAS Number:
1017-10-3
IUPAC Name:
5-butyl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C13H15NO/c1-2-3-9-12-10-13(14-15-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChI Key:
GRPJGWORVDJSRE-UHFFFAOYSA-N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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