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1030-08-6 | Isoxazole, 5-octyl-3-phenyl-
CAS No: 1030-08-6 Catalog No: AG007YBA MDL No:
Product Description
Catalog Number:
AG007YBA
Chemical Name:
Isoxazole, 5-octyl-3-phenyl-
CAS Number:
1030-08-6
Molecular Formula:
C17H23NO
Molecular Weight:
257.3706
IUPAC Name:
5-octyl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C17H23NO/c1-2-3-4-5-6-10-13-16-14-17(18-19-16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
InChI Key:
PLILCSUYIUBKNG-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1onc(c1)c1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.377g/mol
Monoisotopic Mass:
257.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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